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4,306 results on '"Université d'Orléans (UO)"'

1. Geotechnical Behavior and Physico-Chemical Changes of Lime-Treated and Cement-Treated Silty Soil

Author

Muzahim Al-Mukhtar, Mylène Martin, Naima Belayachi, Kévin Beck, Fawzi Bouras, Nouffou Tapsoba, Serge Sabio, Génie Civil (GC), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)

Subjects
Ettringite, Materials science, Aluminate, 0211 other engineering and technologies, Soil Science, 02 engineering and technology, engineering.material, 010502 geochemistry & geophysics, complex mixtures, 01 natural sciences, chemistry.chemical_compound, Architecture, Ultimate tensile strength, ComputingMilieux_MISCELLANEOUS, 021101 geological & geomatics engineering, 0105 earth and related environmental sciences, Lime, Cement, [SPI.GCIV.GEOTECH]Engineering Sciences [physics]/Civil Engineering/Géotechnique, Metallurgy, Geology, California bearing ratio, Geotechnical Engineering and Engineering Geology, 6. Clean water, Compressive strength, chemistry, engineering, Pozzolanic reaction
Abstract

An investigation performed on the interactions of silty soil treated with cement or lime demonstrates the strong relationship between microstructural phenomena and their engineering behavior. Cement hydration induces a rapid improvement in soil properties while the progressive pozzolanic reaction of lime leads to long-term improvement. Moreover, the cement-treated soil presents better mechanical properties (California bearing ratio and unconfined compressive strength). X-ray diffraction tests and thermo-gravimetric analyses show calcium aluminate hydrates in lime-treated soil and ettringite in cement-treated soil. Mineralogical changes and new hydrates formed in the treated soil demonstrate their positive effect on the engineering behavior of the soil. Swelling and indirect tensile strength indicate the soil suitability for treatment with specific amounts of binders. Cement-treated soil resists the immersion test, as ettringite and new calcium aluminate hydrate are detected by XRD after immersion, whereas dissolution of the unreacted lime and part of the calcium hydrates during the immersion test imply a low resistance to immersion of lime-treated soil.

Published
2021

2. Novel markers to early detect degradation on cellulose nitrate-based heritage at the submicrometer level using synchrotron UV–VIS multispectral luminescence

Author

Maria Elvira Callapez, Maria João Melo, Artur Neves, Ana M. Ramos, Mathieu Thoury, Robert Friedel, Matthieu Réfrégiers, LAQV@REQUIMTE, DCR - Departamento de Conservação e Restauro, DQ - Departamento de Química, Refregiers, Matthieu, Laboratorio Associado para a Quimica Verde (LAQV), Requimte, Universidade do Porto = University of Porto-Departamento de Química (DQ), Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade do Porto = University of Porto-Departamento de Química (DQ), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA), Centro Interuniversitário de História das Ciências e da Tecnologia [Caparica] (CIUHCT), University of Maryland [Baltimore], Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Institut photonique d'analyse non-destructive européen des matériaux anciens (IPANEMA), Muséum national d'Histoire naturelle (MNHN)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), This work was supported by the European Union’s Horizon 2020 Research and Innovation Programme (H2020-NMBP‐35‐2017), Grant agreement no 76081, Project NEMOSINE, 'Innovative packaging solutions for storage and conservation of 20th century cultural heritage of artefacts based on cellulose derivatives, and Fundação para a Ciência e a Tecnologia, Ministério da Ciência Tecnologia e Ensino Superior (FCT/MCTES), Portugal, through doctoral programme CORES-PD/00253/2012, PhD Grant PD/BD/136678/2018 (Artur Neves) and Associate Laboratory for Green Chemistry- LAQV financed by national funds (UIDB/ 50006/2020 and UIDP/50006/2020)., Universidade do Porto-Departamento de Química (DQ), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade do Porto-Departamento de Química (DQ), and Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
Materials science, [CHIM.ANAL] Chemical Sciences/Analytical chemistry, Photochemistry, Science, Multispectral image, Nanotechnology, 02 engineering and technology, 01 natural sciences, Article, law.invention, Celluloid, chemistry.chemical_compound, Ultraviolet visible spectroscopy, Nitrate, SDG 3 - Good Health and Well-being, law, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, History of chemistry, Cellulose, General, Multidisciplinary, 010401 analytical chemistry, [SHS.ART]Humanities and Social Sciences/Art and art history, 021001 nanoscience & nanotechnology, Synchrotron, 0104 chemical sciences, Optics and photonics, Physical chemistry, chemistry, visual_art, visual_art.visual_art_medium, Degradation (geology), Medicine, [SHS.ART] Humanities and Social Sciences/Art and art history, 0210 nano-technology, Luminescence
Abstract

20200316 H2020-NMBP‐35‐2017 CORES-PD/00253/2012 PD/BD/136678/2018 UIDB/ 50006/2020 UIDP/50006/2020 Cellulose nitrate (CN) is an intrinsically unstable material that puts at risk the preservation of a great variety of objects in heritage collections, also posing threats to human health. For this reason, a detailed investigation of its degradation mechanisms is necessary to develop sustainable conservation strategies. To investigate novel probes of degradation, we implemented deep UV photoluminescence micro spectral-imaging, for the first time, to characterize a corpus of historical systems composed of cellulose nitrate. The analysis of cinematographic films and everyday objects dated from the nineteenth c./early twentieth c. (Perlov's collection), as well as of photo-aged CN and celluloid references allowed the identification of novel markers that correlate with different stages of CN degradation in artworks, providing insight into the role played by plasticizers, fillers, and other additives in stability. By comparison with photoaged references of CN and celluloid (70% CN and 30% camphor), it was possible to correlate camphor concentration with a higher rate of degradation of the cinematographic films. Furthermore, the present study investigates, at the sub-microscale, materials heterogeneity that correlates to the artworks' history, associating the different emission profiles of zinc oxide to specific color formulations used in the late nineteenth and early twentieth centuries. publishersversion published

Published
2021

3. Doxorubicin‐Sensitized Luminescence of NIR‐Emitting Ytterbium Liposomes: Towards Direct Monitoring of Drug Release

Author

Sara Lacerda, Éva Tóth, Frédéric Szeremeta, Sandra Même, Anthony Delalande, Célia S. Bonnet, Stéphane Petoud, Agnès Pallier, Chantal Pichon, Svetlana V. Eliseeva, Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Frapart, Isabelle

Subjects
Ytterbium, Luminescence, Materials science, Infrared Rays, [SDV]Life Sciences [q-bio], chemistry.chemical_element, Breast Neoplasms, 02 engineering and technology, 010402 general chemistry, Photochemistry, 01 natural sciences, Catalysis, Polyethylene Glycols, Mice, Cell Line, Tumor, medicine, Animals, Chelation, Doxorubicin, Liposome, Antibiotics, Antineoplastic, Molecular Structure, General Medicine, General Chemistry, 021001 nanoscience & nanotechnology, Magnetic Resonance Imaging, 3. Good health, 0104 chemical sciences, [SDV] Life Sciences [q-bio], Drug Liberation, chemistry, Liposomes, Drug delivery, Nanomedicine, Female, 0210 nano-technology, Preclinical imaging, medicine.drug
Abstract

International audience; Drug-loaded liposomes are typical examples of nanomedicine. We show here that doxorubicin, the anti-cancer agent in the liposomal drug Doxil ® , can sensitize Ytterbium (Yb 3+ ) and generate its near infrared (NIR) emission. When doxorubicin and amphiphilic Yb 3+ chelates are incorporated into liposomes, the sensitized emission of Yb 3+ is dependent on the integrity of the particles which can be used to monitor drug release. We also established the first demonstration that the NIR Yb 3+ emission signal is observable in living mice following intratumoral injection of the Yb 3+ -doxorubicin-liposomes, using a commercial macroscopic setup equipped with a near-infrared camera.

Published
2021

4. Emergence of A-Site Cation Order in the Small Rare-Earth Melilites SrREGa3O7 (RE = Dy–Lu, Y)

Author

Cécile Genevois, Michael J. Pitcher, Yannick Ledemi, Sandra Ory, Younes Messaddeq, Marina Boyer, Mathieu Allix, Haytem Bazzaoui, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université d'Orléans (UO), and Université Laval [Québec] (ULaval)

Subjects
02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, engineering.material, 010402 general chemistry, 01 natural sciences, law.invention, metastability, Inorganic Chemistry, Tetragonal crystal system, law, luminescence, Ceramic, Physical and Theoretical Chemistry, Crystallization, STEM-HAADF, Chemistry, Melilite, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Gallate melilite, 0104 chemical sciences, Crystallography, visual_art, visual_art.visual_art_medium, engineering, Orthorhombic crystal system, Crystallite, 0210 nano-technology, Luminescence, Superstructure (condensed matter), cation ordering
Abstract

International audience; SrREGa3O7 melilite ceramics with large rare-earth elements (RE = La to Y) are famous materials especially known for their luminescence properties. Using an innovative approach, the full and congruent crystallization from glass process, SrREGa3O7 transparent polycrystalline ceramics with small rare earth elements (RE = Dy-Lu and Y) have been successfully synthesized and characterized. Interestingly, compared to the classic tetragonal (P-421m) melilite structure composed of mixed Sr/RE cationic sites, these compositions can crystallize in a 3 x 1 x 1 orthorhombic (P21212) superstructure. A detailed study of the superstructure, investigated by different techniques (synchrotron and neutron powder diffraction, STEM-HAADF imaging and EDS mapping), highlights the existence of a Sr/RE cation ordering favored by a large Sr/RE size mismatch and a sufficiently small RE cation. An appropriate control of the synthesis conditions through glass crystallization enables the formation of the desired polymorphs, either ordered or disordered. The influence of this tailored cationic ordering/disordering on the RE luminescent spectroscopic properties have been investigated. A stronger structuration of the RE emission band is observed in the ordered ceramic compared to the disordered ceramic and the glass, whose band shapes are very similar, indicating that the RE environment in the glass and disordered ceramic are close.

Published
2021

5. Oxidation of C 5 esters: Influence of the position of the ester function

Author

Philippe Dagaut, Sébastien Thion, Guillaume Dayma, Zeynep Serinyel, Maxence Lailliau, Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS), European Project: 291049,EC:FP7:ERC,ERC-2011-ADG_20110209,2G-CSAFE(2011), and Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS - CNRS)

Subjects
oxidation, Butyl formate, 020209 energy, chemistry.chemical_element, 02 engineering and technology, butyl formate, Mole fraction, Biochemistry, ethyl propanoate, Inorganic Chemistry, chemistry.chemical_compound, 020401 chemical engineering, 0202 electrical engineering, electronic engineering, information engineering, [CHIM]Chemical Sciences, Organic chemistry, Reactivity (chemistry), 0204 chemical engineering, Physical and Theoretical Chemistry, chemistry.chemical_classification, Chemistry, Alkene, Organic Chemistry, Ethyl propanoate, kinetic modeling, methyl butanoate, Product distribution, Propyl acetate, jet-stirred reactor, propyl acetate, Carbon
Abstract

International audience; The oxidation of esters has been extensively studied over the past 15 years, mainly focusing on methyl- and ethyl-esters. Recently, the oxidation of esters produced from higher alcohols has received more and more attention. In this work, we report experiments and modeling on the oxidation of a series of four esters with five carbon atoms, namely, methyl butanoate, ethyl propanoate, propyl acetate, and butyl formate. The oxidation of these esters was performed in a jet-stirred reactor under the same experimental conditions (tau = 700 ms, p = 10 atm, phi = 1, and X-fuel,X- initial = 1000 ppm). The mole fraction profiles obtained from these experiments were used to develop a unique detailed kinetic mechanism for the oxidation of these four esters, which performs well against our experimental data and on data from the literature. Although these esters are isomers, this work highlights the influence of the position of the ester function in terms of global reactivity and product distribution. In particular, this comparison shows the strong impact of the nature of the products (i.e., acid + alkene) formed by the different molecular decomposition reactions during the oxidation process of these esters.

Published
2021

6. Development and Implementation of an Experimental Machine to Study Woven Fabric Preforming Defects

Author

Gilles Hivet, Samir Allaoui, Jean Gillibert, Anwar Shanwan, Mécanique des Matériaux et Procédés (MMP), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours, Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)

Subjects
Mesoscopic physics, Materials science, Mechanical Engineering, Composite number, Process (computing), 02 engineering and technology, Molding (process), 01 natural sciences, 010309 optics, [SPI]Engineering Sciences [physics], 020303 mechanical engineering & transports, 0203 mechanical engineering, Mechanics of Materials, Woven fabric, 0103 physical sciences, Development (differential geometry), Composite material, Buckle, ComputingMilieux_MISCELLANEOUS
Abstract

In Liquid Composite Molding (LCM), a fabric can be formed by highly double curved punch geometries. During the forming step, various types of defects can appear and may have a significant influence on the mechanical properties of the final composite materials. Till now, these defects have not been fully studied and/or understood. The aim of this study was to understand the mechanisms leading to the forming of mesoscopic defects (buckles and sliding), as well as their effect on the behavior of composite materials. To achieve this goal, an experimental machine was designed and built. The machine generates different types of defects, with controlled and adjusted amplitudes (calibrated defects) in samples of a fabric. These samples were then used to manufacture composite samples with calibrated defects, by an LCM process, in order to test and compare them with composite samples without defects. Thanks to this machine, calibrated forming defects that simulate the defects of an LCM process were generated, and the experimental parameters corresponding to the appearance of these defects were defined for two types of fabrics based on glass and carbon fibers. This work provides insight into the forming mechanisms of the buckle and sliding defects that occur during an LCM process.

Published
2021

7. Rough concepts

Author

Sabine Frittella, Nachoem M. Wijnberg, Sajad Nazari, Willem Conradie, Krishna Manoorkar, Alessandra Palmigiano, Apostolos Tzimoulis, University of Johannesburg (UJ), Sécurité des Données et des Systèmes (SDS), Laboratoire d'Informatique Fondamentale d'Orléans (LIFO), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Applied Logic, Delft University of Technology (TU Delft), Ethics, Governance and Society, Entrepreneurship & Innovation (ABS, FEB), and Faculteit Economie en Bedrijfskunde

Subjects
FOS: Computer and information sciences, Computer Science - Logic in Computer Science, Information Systems and Management, Computer science, 0102 computer and information sciences, 02 engineering and technology, Rough Concept Analysis, 01 natural sciences, Theoretical Computer Science, Artificial Intelligence, 0202 electrical engineering, electronic engineering, information engineering, Formal concept analysis, FOS: Mathematics, [INFO]Computer Science [cs], [MATH]Mathematics [math], ComputingMilieux_MISCELLANEOUS, Rough set theory, Modal logic, Modal algebras, [INFO.INFO-LO]Computer Science [cs]/Logic in Computer Science [cs.LO], Mathematics - Logic, Computer Science Applications, Logic in Computer Science (cs.LO), Algebra, 010201 computation theory & mathematics, Control and Systems Engineering, Algebraic theory, 020201 artificial intelligence & image processing, Rough set, Logic (math.LO), Software
Abstract

The present paper proposes a novel way to unify Rough Set Theory and Formal Concept Analysis. Our method stems from results and insights developed in the algebraic theory of modal logic, and is based on the idea that Pawlak's original approximation spaces can be seen as special instances of enriched formal contexts, i.e. relational structures based on formal; contexts from Formal Concept Analysis.

Published
2021

8. Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Author

Cyprien Soulaine, Catherine Noiriel, Géosciences Environnement Toulouse (GET), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Milieux Poreux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), ANR-10-LABX-0100,VOLTAIRE,Geofluids and Volatil elements – Earth, Atmosphere, Interfaces – Resources and Environment(2010), ANR-19-CE05-0002,FraMatI,Modélisation micro-échelle des intéractions fracture-matrice en régime multiphasique réactif(2019), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC)

Subjects
Interface (Java), General Chemical Engineering, 0208 environmental biotechnology, Flow (psychology), Reactive flow, Aquifer, 02 engineering and technology, Surface finish, 010502 geochemistry & geophysics, 01 natural sciences, Catalysis, [SPI]Engineering Sciences [physics], Fluid–rock interface, X-ray micro-tomography, [SDU.STU.GC]Sciences of the Universe [physics]/Earth Sciences/Geochemistry, Carbonate dissolution, Mineral reactivity, Fluid–mineral interface, Pore-scale imaging, Porosity, 0105 earth and related environmental sciences, Rock microstructure, Pore-scale modelling, Darcy–Brinkman model, geography, Hydrogeology, geography.geographical_feature_category, Mechanics, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, 020801 environmental engineering, 13. Climate action, Porous medium, Digital rock physics, Geology
Abstract

International audience; Fluid–mineral and fluid–rock interfaces are key parameters controlling the reactivity and fate of fluids in reservoir rocks and aquifers. The interface dynamics through space and time results from complex processes involving a tight coupling between chemical reactions and transport of species as well as a strong dependence on the physical, chemical, mineralogical and structural properties of the reacting solid phases. In this article, we review the recent advances in pore-scale imaging and reactive flow modelling applied to interface dynamics. Digital rocks derived from time-lapse X-ray micro-tomography imaging gives unprecedented opportunity to track the interface evolution during reactive flow experiments in porous or fractured media, and evaluate locally mineral reactivity. The recent improvements in pore-scale reactive transport modelling allow for a fine description of flow and transport that integrates moving fluid–mineral interfaces inherent to chemical reactions. Combined with three-dimensional digital images, pore-scale reactive transport modelling complements and augments laboratory experiments. The most advanced multi-scale models integrate sub-voxel porosity and processes which relate to imaging instrument resolution and improve upscaling possibilities. Two example applications based on the solver porousMedia4Foam illustrate the dynamics of the interface for different transport regimes (i.e., diffusive- to advective-dominant) and rock matrix properties (i.e., permeable vs. impermeable, and homogeneous vs. polymineralic). These parameters affect both the interface roughness and its geometry evolution, from sharp front to smeared (i.e., diffuse) interface. The paper concludes by discussing the challenges associated with precipitation processes in porous media, rock texture and composition (i.e., physical and mineralogical heterogeneity), and upscaling to larger scales.

Published
2021

9. Photochromism and Persistent Luminescence in Ni-Doped ZnGa2O4 Transparent Glass-Ceramics: Toward Optical Memory Applications

Author

Didier Gourier, Luidgi Giordano, Bruno Viana, Mathieu Allix, Cyrille Richard, Victor Castaing, Institut de Recherche de Chimie Paris (IRCP), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), Unité de Technologies Chimiques et Biologiques pour la Santé (UTCBS - UM 4 (UMR 8258 / U1022)), Institut de Chimie du CNRS (INC)-Université de Paris (UP)-Centre National de la Recherche Scientifique (CNRS)-Institut National de la Santé et de la Recherche Médicale (INSERM), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université d'Orléans (UO), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and ORANGE, Colette

Subjects
MECHANISM, LONG-PERSISTENT, Materials science, Infrared, EUROPIUM, chemistry.chemical_element, Phosphor, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Photochromism, Persistent luminescence, NANOPARTICLES, Ceramic, Physical and Theoretical Chemistry, TRAP DEPTH, [CHIM.MATE] Chemical Sciences/Material chemistry, SPECTROSCOPY, business.industry, Doping, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, General Energy, chemistry, visual_art, visual_art.visual_art_medium, 2-PHOTON EXCITATION, Optoelectronics, VISIBLE-LIGHT, 0210 nano-technology, business, Europium, PEROVSKITE PHOSPHOR, STORAGE, Visible spectrum
Abstract

International audience; Persistent luminescence and photochromism are two fascinating optical properties that involve charge trapping via defects and their release due to an external stimulation. In both processes, it is possible to define 1 (or on) and 0 (or off) optical states. Consequently, materials with one of these phenomena find major interest in view of designing smart, anticounterfeiting, and optical information storage devices. Combining both processes within a single material can lead to a new generation of information storage phosphors, in which it may be possible to obtain three different optical states by playing on the external stimulations applied on the material. For that purpose, the elaboration of nickel-doped ZnGa2O4 spinet transparent nano-glassceramics is presented in this work. The short-wave infrared (SWIR) emission, a broad band located at ca. 1275 nm, arises from Ni2+ cations located in gallium octahedral sites. SWIR persistent luminescence, arising from the same doping ion transition, can also be monitored after UV charging. Interestingly, UV irradiation not only leads to persistent luminescence charging but also to a reversible photochromism effect. By means of a complete optical characterization study combined with electron paramagnetic resonance measurements, the origins of both the persistent luminescence emission and the photochromism are explored. Finally, a discussion on the advantages of such a material combining both persistent luminescence and photochromism properties, leading to three possible optical states of the material, is dressed in view of possible optical memory systems.

Published
2021

10. Transport properties in molten carbonates: self-diffusion and conductivity measurements at high temperature

Author

V. Sarou-Kanian, L. del Campo, Lionel Cosson, A. Zhadan, Mohammed Malki, Catherine Bessada, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), and Université d'Orléans (UO)

Subjects
Self-diffusion, Materials science, Energy Engineering and Power Technology, Thermodynamics, 02 engineering and technology, PFG NMR, Conductivity, 010402 general chemistry, 7. Clean energy, 01 natural sciences, high temperature, Atmosphere, chemistry.chemical_compound, Electrical resistivity and conductivity, Eutectic system, electrical conductivity, Molten carbonates, Renewable Energy, Sustainability and the Environment, selfdiffusion, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Fuel Technology, chemistry, 13. Climate action, Fuel cells, Carbonate, CO2, 0210 nano-technology, Pulsed field gradient
Abstract

International audience; A better understanding and use of molten carbonate fuel cells (MCFCs) requires more detailed consideration on transport properties in melt. The combination of different methodological developments can be one solution to improve our comprehension. Here we present 23 Na and 7 Li self-diffusion coefficients measured by pulsed field gradient (PFG) NMR technique combined with electrical conductivity obtained by a 4-electrod set up, in the eutectic mixture Li2CO3-Na2CO3 (52:48 %mol) at high temperature (up to 1050 K), and under pure CO2 atmosphere. The results were compared with known experimental data from literature obtained by radiotracers techniques and 2-electrod set up and also with some calculations of the transport properties.

Published
2021

11. Chemical and Mechanical Characterisation of White Earthenware Glazes from the Johnston‐Vieillard Manufactory (France, 19th Century)

Author

Quentin Lemasson, Emmie Beauvoit, Camille Frugier, Ayed Ben Amara, Nicolas Tessier-Doyen, Rémy Chapoulie, Bernard Gratuze, Laurent Pichon, Claire Pacheco, Brice Moignard, IRCER - Axe 1 : procédés céramiques (IRCER-AXE1), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), IRAMAT - Centre Ernest Babelon (IRAMAT-CEB), Institut de Recherches sur les Archéomatériaux (IRAMAT), and Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Université Bordeaux Montaigne-Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Université Bordeaux Montaigne-Université de Technologie de Belfort-Montbeliard (UTBM)

Subjects
Archeology, History, White (horse), 060102 archaeology, media_common.quotation_subject, [CHIM.MATE]Chemical Sciences/Material chemistry, 06 humanities and the arts, 02 engineering and technology, Art, 021001 nanoscience & nanotechnology, Archaeology, [SPI.MAT]Engineering Sciences [physics]/Materials, La icp ms, 0601 history and archaeology, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS, media_common
Abstract

International audience

Published
2021

12. NUMERICAL INVESTIGATION OF THE IDENTIFIABILITY OF ELASTOMER MECHANICAL PROPERTIES BY NANO-INDENTATION AND SHAPE-MANIFOLD APPROACH

Author

Stéphane Méo, Oumaima Ezzaamari, Florian Lacroix, Guenhael Le Quilliec, Mécanique des Matériaux et Procédés (MMP), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours, Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)

Subjects
Materials science, Polymers and Plastics, Design of experiments, Mechanical engineering, 02 engineering and technology, [PHYS.MECA.MSMECA]Physics [physics]/Mechanics [physics]/Materials and structures in mechanics [physics.class-ph], Nanoindentation, 021001 nanoscience & nanotechnology, Elastomer, Characterization (materials science), law.invention, [PHYS.MECA.MEMA]Physics [physics]/Mechanics [physics]/Mechanics of materials [physics.class-ph], [PHYS.MECA.STRU]Physics [physics]/Mechanics [physics]/Structural mechanics [physics.class-ph], 020303 mechanical engineering & transports, 0203 mechanical engineering, law, Kriging, [PHYS.MECA.SOLID]Physics [physics]/Mechanics [physics]/Solid mechanics [physics.class-ph], Materials Chemistry, Identifiability, 0210 nano-technology, Reduction (mathematics), Manifold (fluid mechanics)
Abstract

Various research is covering instrumented nano-indentation in the literature. However, studies on this characterization test remain limited when it comes to the local mechanical behavior of elastomeric materials. The application of nano-indentation on these materials is a difficult task given their complex mechanical and structural characteristics. We try to overcome these experimental limitations and find an effective numerical approach for local mechanical characterization of hyper-elastic materials. For such needs, we carried out a numerical study based on model reduction and shape manifold approach to investigate the parameters identification of different hyper-elastic constitutive laws by using instrumented indentation. Similarly, we studied the influence of the indenter geometry, the friction coefficient variation, and finally the indented material height effect. To this end, we constructed a reduced order model through a design of experiments by proper orthogonal decomposition combined with the kriging interpolation method.

Published
2021

13. Online vehicle aerodynamic drag observer with Kalman filters

Author

Y. El Gaouti, Guillaume Colin, N. Mazellier, B. Thiam, Université d'Orléans (UO), Laboratoire pluridisciplinaire de recherche en ingénierie des systèmes, mécanique et énergétique (PRISME), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), and Colin, Guillaume

Subjects
0209 industrial biotechnology, Observer (quantum physics), Computer science, Powertrain, 02 engineering and technology, 7. Clean energy, [SPI.AUTO]Engineering Sciences [physics]/Automatic, Computer Science::Robotics, Extended Kalman filter, 020901 industrial engineering & automation, 0203 mechanical engineering, Control theory, Robustness (computer science), Drag vehicle, Aerodynamic drag, Experimental results, Estimation theory, Extended Kalman Filter, Estimator, Kalman filter, Observer, Nonlinear System, [SPI.AUTO] Engineering Sciences [physics]/Automatic, 020303 mechanical engineering & transports, Control and Systems Engineering, Unscented Kalman Filter
Abstract

International audience; Aerodynamic drag is an important contributor to vehicle energy consumption, especially in highway conditions. Hence, estimating on-line the aerodynamic drag, or equivalently its coefficient, is an interesting challenge in order to reduce the energy consumption of vehicles. However, real systems are characterized by noisy sensor measurements. Extended Kalman Filter (EKF) is a commonly used algorithm for parameter estimation due to its stochastic filtering properties and is based on a first order approximation of the system dynamics. Similarly, the Unscented Kalman Filter (UKF) has been proposed as an alternative to the EKF in the field of nonlinear filtering and has received great attention in parameter estimation. This paper presents these two observers EKF and UKF for online estimation of the aerodynamic drag coefficient, based on noisy sensor measurements of a vehicle velocity, powertrain wheel torque and a longitudinal dynamic vehicle model. The design of the estimators is described and the performances are assessed against real measurements. The robustness is evaluated with different spoiler positions and the optimal position corresponding to a minimum of the aerodynamic drag coefficient is confirmed. Two different masses are used to validate each estimator.

Published
2021

14. Capabilities and limitations of Large Eddy Simulation with perfectly stirred reactor assumption for engineering applications of unsteady, hydrogen combustion sequences

Author

F. J. S. Velasco, Nabiha Chaumeix, A. Bentaib, F. Nicolás-Pérez, R.A. Otón-Martínez, Jose Ramon Garcia-Cascales, Universidad Politécnica de Cartagena / Technical University of Cartagena (UPCT), University Centre of Defence at the Spanish Air Force Academy, Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS - CNRS), Institut of Radioprotection et Sûreté Nucléaire of France [DA 3000011012/CA32000911], Spanish Ministry of Economy and Competitiveness, European Project: ERDF, Technical University of Cartagena (UPTC), Institut de Radioprotection et de Sûreté Nucléaire, Fontenay-aux-Roses, and Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS)

Subjects
Work (thermodynamics), General Computer Science, unsteady, Hydrogen combustion, Nuclear engineering, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, 02 engineering and technology, Engineering (General). Civil engineering (General), 01 natural sciences, 010305 fluids & plasmas, perfectly stirred reactor, fast combustion, 020401 chemical engineering, Perfectly stirred reactor, Modeling and Simulation, 0103 physical sciences, 0204 chemical engineering, implicit les, TA1-2040, Large eddy simulation
Abstract

International audience; This work evaluates the capabilities of Large Eddy Simulation with perfectly stirred reactor (PSR) assumption and detailed chemistry to predict unsteady, premixed, hydrogen combustion sequences. The model was benchmarked with hydrogen-air experimental tests and with numerical data of flame acceleration in an obstructed channel. Results permit to identify major shortcomings that should be addressed with this approach and to assess the uncertainties linked to the use of different sub-models. Spatial resolution was found to be critical and limits the applications of this approach due to the increase of the computational costs with the flame surface. While the influence of the detailed kinetic chemical scheme used was low, the impact of the sub-grid turbulence model used was high. Results showed that simulations provided good agreement with the experimental data when a minimum spatial resolution of 1/8 of the laminar flame thickness was imposed. This threshold permits to simulate with good results the early stages of the combustion sequence (ignition and initial flame acceleration) but limits the model applications when the flame surface increases. In-situ Adaptive Tabulation (ISAT) was an effective strategy to overcome the limitations and partially reduce the computational cost when detailed chemistry models are used together with PSR-LES.

Published
2021

15. Combustion of silane-nitrous oxide-argon mixtures: Analysis of laminar flame propagation and condensed products

Author

Mathieu Allix, Karl P. Chatelain, Yizhuo He, C. Paillard, Rémy Mével, Nabiha Chaumeix, Deanna A. Lacoste, Simon Lapointe, Tsinghua University [Beijing] (THU), King Abdullah University of Science and Technology (KAUST), Lawrence Livermore National Laboratory (LLNL), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université d'Orléans (UO), Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), and Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS)

Subjects
Materials science, Laminar flame speed, Silicon, silane, 020209 energy, General Chemical Engineering, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Combustion, 7. Clean energy, chemistry.chemical_compound, Silica particle, Lattice constant, Expanding flame, 0202 electrical engineering, electronic engineering, information engineering, Physical and Theoretical Chemistry, Argon, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, Mechanical Engineering, 021001 nanoscience & nanotechnology, Silane, chemistry, Volume (thermodynamics), 13. Climate action, 0210 nano-technology, Silicon nanowire, Powder diffraction
Abstract

International audience; The laminar burning rate, the explosion peak pressure, and the pressure rise coefficient have been measured for the first time for silane-nitrous oxide-argon mixtures using the spherically expanding flame technique in a constant volume combustion chamber. For these three parameters, the values obtained were higher than for hydrogen-nitrous oxide-argon and typical hydrocarbon-based mixtures. A maximum burning rate of 1800 g/m2 s was measured at 101 kPa, whereas under similar conditions, a maximum burning rate around 950 g/m2 s has been reported for hydrogen-nitrous oxide-argon mixtures. To better understand the chemical dynamics of flames propagating in SiH4–N2O–Ar mixtures, a detailed reaction model from the literature was improved using collision limit violation analysis and updated thermodynamic properties calculated with a high-level ab initio approach. The reaction model predicts the burning rate within 14% on average but demonstrates error close to 50% for the richest mixtures. The chemistry of the H–O–N system is important under all the conditions presently studied. The chemistry of the Si–H–O–N system demonstrates an increasing importance under rich conditions. In particular, the reactions (i) forming SiOx(s); (ii) describing the interaction of Si-species with N2O; and (iii) involving silicon hydrides, have an important role for the heat release dynamics. The condensed combustion products formed in the silane-nitrous oxide-argon flames were sampled and characterized using electron micrograph, electronic diffraction, energy-dispersive spectroscopy, and X-ray powder diffraction. For all equivalence ratios, silica spherical particles with a mean diameter in the range 200–300 nm were observed. In addition, for mixtures with Φ ≥ 2.2, silicon nanowires were formed. X-ray diffraction experiments showed that the silicon nanowires are composed of metal silicon characterized by a cubic structure (lattice parameter: a=5.425Å) with the Fm-3m space group.

Published
2021

16. Oxidation of di-n-butyl ether: Experimental characterization of low-temperature products in JSR and RCM

Author

Guillaume Dayma, Bruno Moreau, Philippe Dagaut, Nesrine Belhadj, Roland Benoit, Zeynep Serinyel, Maxence Lailliau, Fabrice Foucher, Fethi Khaled, Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS), Laboratoire pluridisciplinaire de recherche en ingénierie des systèmes, mécanique et énergétique (PRISME), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), and ANR-11-LABX-0006,CAPRYSSES,Cinétique chimique et Aérothermodynamique pour des Propulsions et des Systèmes Energétiques Propres(2011)

Subjects
Reaction mechanism, Electrospray, 020209 energy, General Chemical Engineering, Radical, Inorganic chemistry, General Physics and Astronomy, Energy Engineering and Power Technology, Atmospheric-pressure chemical ionization, Ether, 02 engineering and technology, Mass spectrometry, 7. Clean energy, chemistry.chemical_compound, 020401 chemical engineering, 0202 electrical engineering, electronic engineering, information engineering, cool flame, 0204 chemical engineering, Uhplc-Hrms/ms, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, ketohydroperoxides, General Chemistry, Orbitrap mass spectrometry, rapid compression machine, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Dibutyl ether, Fuel Technology, chemistry, jet-stirred reactor, 13. Climate action, dibutyl ether, highly oxygenated molecules, Stoichiometry
Abstract

International audience; The oxidation of di-n-butyl-ether (DBE) was performed in a jet-stirred reactor (JSR) at 1 atm, 520 and 530 K, and from 480 to 670 K at 10 atm, at a residence time of 1 s, an equivalence ratio of 0.5, and an initial fuel concentration of 5000 ppm. Ignition experiments on DBE/air mixtures were also performed in a rapid compression machine (RCM) under stoichiometric conditions, 5 bar, and from 550 to 630 K. Low-temperature products formed in JSR and RCM experiments were characterized. To this end, high-resolution mass spectrometry analyses (HRMS) with flow injection analyses or ultra-high pressure liquid chromatography coupling were used to characterize hydroperoxides and diols (C8H18O3), ketohydroperoxides (C8H16O4), carboxylic acids (C2H4O2, C3H6O2, C4H8O2), di-keto ethers (C8H14O3), and highly oxygenated molecules (C8H14O5, C8H16O6, C8H14O6, C8H14O7, C8H16O8, and C8H14O9) resulting from up to five O2 additions on fuel's radicals. Whereas HOMs are of minor importance in combustion, they are considered key species for the formation of secondary organic aerosols. In addition, cyclic ethers and esters (C8H16O2) were observed. Heated electrospray and atmospheric pressure chemical ionizations (HESI and APCI) were used in positive and negative modes for MS analyses. H/D exchange with D2O was used to confirm the presence of –OH or –OOH groups in the products. The present results show that DBE oxidation proceeds similarly under JSR and RCM conditions. Whereas the CH2 groups neighboring the ether group are the most favorable sites for H-atom abstraction reactions, speciation indicated that other sites can react by metathesis forming a large pool of intermediates and products. Our kinetic reaction mechanism needs to be extended for simulating the formation of newly detected species.

Published
2020

17. Eucalyptol as bio-based solvent for Migita–Kosugi–Stille coupling reaction on O,S,N-heterocycle

Author

Sabine Berteina-Raboin, Joana F. Campos, CCSD, Accord Elsevier, Institut de Chimie Organique et Analytique (ICOA), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Institut National de la Santé et de la Recherche Médicale (INSERM)

Subjects
Chemistry, chemistry.chemical_element, Bio based, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Nitrogen, Sulfur, Oxygen, Catalysis, 0104 chemical sciences, Stille reaction, Solvent, chemistry.chemical_compound, Eucalyptol, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, Organic chemistry, 0210 nano-technology
Abstract

International audience; We report herein an investigation on the use of eucalyptol as new solvent for organic transformations applied to the Migita-Kosugi-Stille palladium-catalyzed cross-coupling reaction. Heterocycles containing oxygen, sulfur and nitrogen were chosen as starting materials. Eucalyptol turned out to be a viable sustainable alternative to common solvents for this reaction.

Published
2020

18. Preface to Multiscale Simulation in Geochemistry

Author

Carl I. Steefel, Christophe Tournassat, Xiandong Liu, State Key Laboratory for Mineral Deposits Research, Nanjing University (NJU), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Biogéosystèmes Continentaux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), and Lawrence Berkeley National Laboratory [Berkeley] (LBNL)

Subjects
[SDU.STU.GC]Sciences of the Universe [physics]/Earth Sciences/Geochemistry, Geochemistry and Petrology, Chemistry, Geochemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 0210 nano-technology, 01 natural sciences, ComputingMilieux_MISCELLANEOUS, 0104 chemical sciences
Abstract

International audience

Published
2020

19. How reproducible are surface areas calculated from the BET equation?

Author

Christian Serre, Peyman Z. Moghadam, Feng P, Rama Oktavian, Lin R, Ting, Telalovic S, Omar M. Yaghi, Mark D. Allendorf, Russell E. Morris, Muhammad Sadiq, Philip L. Llewellyn, Jonathan L. Snider, Stavila, Matthew J. Rosseinsky, Hou B, Pütz A, Daniel W. Siderius, Rowlandson J, Randall Q. Snurr, van der Veen M, Nguyen T, Kaneko K, Linares N, Félix Zamora, Zhou H, Camille Petit, Sebastian T. Emmerling, Aran Lamaire, Cui Y, David G. Madden, Salcedo-Abraira P, Krista S. Walton, Soumya Mukherjee, Karam B. Idrees, Doheny Pw, Timur Islamoglu, Azevedo Dcs, Conchi O. Ania, Bu X, Zang X, Martin Schröder, Vilarrasa-García E, Michael T. Huxley, Ken-ichi Otake, Sanchez E, Rega D, Vanspeybroeck, Georges Mouchaham, Carmen Montoro, Lee Sj, David Danaci, Goncalves Rb, Yamil J. Colón, Patricia Horcajada, David S. Sholl, David Fairen-Jimenez, Shane G. Telfer, Bethany M. Connolly, Christian J. Doonan, Ryan P. Lively, D’Alessandro D, Raffaele Ricco, Paul S. Wheatley, Clowes R, Bettina V. Lotsch, Alexandros P. Katsoulidis, François-Xavier Coudert, Dominic Bara, Garcia-Martinez J, Carlos Martí-Gastaldo, Yavuz C, Chen B, Matthew R. Hill, Ross S. Forgan, Shuhei Furukawa, Ghosha Sk, Johannes W.M. Osterrieth, Jack D. Evans, Jorge A. R. Navarro, Suarez Ja, Zhang B, João Marreiros, Jorge Gascon, Neil R. Champness, Kenvin J, Yang S, Iiyuka T, Nakul Rampal, Daniel Maspoch, falcaro p, Rampersad J, Han X, Jacopo Andreo, Benoit Coasne, Yang H, Angelo K, Stefan Wuttke, Santos Bf, Chenyue Sun, Susumu Kitagawa, Luka Skoric, Moreton Jc, Rob Ameloot, Muñoz N, DeWitt Sja, Uemura T, Sven Rogge, Seda Keskin, Lukas W. Bingel, Raghuram Thyagarajan, Mircea Dincă, Seth M. Cohen, Bunzen H, Kukobat R, Omar K. Farha, Sarah L. Griffin, Chen L, University of St Andrews. EaSTCHEM, University of St Andrews. School of Chemistry, University of St Andrews. Institute of Behavioural and Neural Sciences, Institut des Matériaux Poreux de Paris (IMAP ), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), University of Cambridge [UK] (CAM), Sandia National Laboratories [Livermore], Sandia National Laboratories - Corporation, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Universidade Federal do Ceará = Federal University of Ceará (UFC), Nankai University (NKU), University of Augsburg (UNIA), University of Nottingham, UK (UON), The University of Texas at San Antonio (UTSA), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), University of California [San Diego] (UC San Diego), University of California (UC), University of Notre Dame [Indiana] (UND), University of Liverpool, Institut de Recherche de Chimie Paris (IRCP), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), Shanghai Jiaotong University, The University of Sydney, Massachusetts Institute of Technology (MIT), University of Adelaide, Technische Universität Dresden = Dresden University of Technology (TU Dresden), Graz University of Technology [Graz] (TU Graz), Northwestern University [Evanston], University of California [Riverside] (UC Riverside), University of Glasgow, Kyoto University, King Abdullah University of Science and Technology (KAUST), Indian Institute of Science Education and Research Pune (IISER Pune), Monash university, Instituto IMDEA Energy [Madrid], Instituto IMDEA Energía, Shinshu University [Nagano], Koç University, Georgia Institute of Technology [Atlanta], TotalEnergies, Aix Marseille Université (AMU), Centre National de la Recherche Scientifique (CNRS), Max Planck Institute for Solid State Research, Max-Planck-Gesellschaft, Ludwig-Maximilians-Universität München (LMU), Universitat de València (UV), Universidad de Alicante, Barcelona Institute of Science and Technology (BIST), University of Sheffield [Sheffield], University of Saint Andrews, Universidad de Granada = University of Granada (UGR), Imperial College London, University of Manchester [Manchester], École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), National Institute of Standards and Technology [Gaithersburg] (NIST), Massey University, University of Bristol [Bristol], The University of Tokyo (UTokyo), Delft University of Technology (TU Delft), Universiteit Gent = Ghent University (UGENT), Ikerbasque - Basque Foundation for Science, University of California [Berkeley] (UC Berkeley), Korea Advanced Institute of Science and Technology (KAIST), Universidad Autónoma de Madrid (UAM), Texas A&M University [College Station], Universidad de Alicante. Departamento de Química Inorgánica, Laboratorio de Nanotecnología Molecular (NANOMOL), European Commission, European Research Council, University of Cambridge, Trinity College Cambridge, National Nuclear Security Administration (US), Department of Energy (US), Alexander von Humboldt Foundation, Center for Advancing Electronics Dresden, Science and Engineering Research Board (India), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Research Foundation - Flanders, Engineering and Physical Sciences Research Council (UK), National Research Foundation of Korea, Indonesia Endowment Fund for Education, National Institute of Standards and Technology (US), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), Avcı, Seda Keskin (ORCID 0000-0001-5968-0336 & YÖK ID 40548), Osterrieth, J.W.M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., Allendorf, M.D., Stavila, V., Snider, J.L., Ameloot, R., Marreiros, J., Ania, C., Azevedo, D., Vilarrasa-Garcia, E., Santos, B.F., Bu, X.H., Chang, Z., Bunzen, H., Champness, N.R., Griffin, S.L., Chen, B., Lin, R.B., Coasne, B., Cohen, S., Moreton, J.C., Colón, Y.J., Chen, L., Clowes, R., Coudert, F.X., Cui, Y., Hou, B., D'Alessandro, D.M., Doheny, P.W., Dinc?, M., Sun, C., Doonan, C., Huxley, M.T., Evans, J.D., Falcaro, P., Ricco, R., Farha, O., Idrees, K.B., Islamoglu, T., Feng, P., Yang, H., Forgan, R.S., Bara, D., Furukawa, S., Sanchez, E., Gascon, J., Telalovi?, S., Ghosh, S.K., Mukherjee, S., Hill, M.R., Sadiq, M.M., Horcajada, P., Salcedo-Abraira, P., Kaneko, K., Kukobat, R., Kenvin, J., Kitagawa, S., Otake, K.I., Lively, R.P., DeWitt, S.J.A., Llewellyn, P., Lotsch, B.V., Emmerling, S.T., Pütz, A.M., Martí-Gastaldo, C., Padial, N.M., García-Martínez, J., Linares, N., Maspoch, D., Suárez Del Pino, J.A., Moghadam, P., Oktavian, R., Morris, R.E., Wheatley, P.S., Navarro, J., Petit, C., Danacı, D., Rosseinsky, M.J., Katsoulidis, A.P., Schröder, M., Han, X., Yan, S., Serre, C., Mouchaham, G., Sholl, D.S., Thyagarajan, R., Siderius, D., Snurr, R.Q., Goncalves, R.B., Telfer, S., Lee, S.J., Ting, V.P., Rowlandson, J.L., Uemura T, Iiyuka, T., van derVeen, Monique A., Rega, Davide, Van Speybroeck, Veronique, Rogge, Sven M. J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Felix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jimenez, David, College of Engineering, Department of Chemical and Biological Engineering, UAM. Departamento de Química Inorgánica, Fairen-Jimenez, David [0000-0002-5013-1194], and Apollo - University of Cambridge Repository

Subjects
Surface (mathematics), Technology, Chemistry, Multidisciplinary, Surface area, 02 engineering and technology, 01 natural sciences, GAS-STORAGE, Surface Area Analysis, General Materials Science, Porous materials, QD, BET theory, Chemistry, Physical, Nanoporous, Physics, 1. No poverty, Química, [CHIM.MATE]Chemical Sciences/Material chemistry, 3rd-DAS, Reproducibilities, 021001 nanoscience & nanotechnology, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Chemistry, Physics, Condensed Matter, Mechanics of Materials, Physical Sciences, Science & Technology - Other Topics, 0210 nano-technology, Porosity, Materials Science, APPLICABILITY, Materials Science, Multidisciplinary, Nanotechnology, 010402 general chemistry, Physics, Applied, METAL-ORGANIC FRAMEWORKS, Adsorption, Porosimetry, [CHIM]Chemical Sciences, ddc:530, Nanoscience & Nanotechnology, MCC, Química Inorgánica, Science & Technology, Mechanical Engineering, Science and technology, Reproducibility of Results, QD Chemistry, 0104 chemical sciences, Physics and Astronomy, Brunauer Emmett Tellers
Abstract

This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (NanoMOFdeli), ERC-2016-COG 726380, Innovate UK (104384) and EPSRC IAA (IAA/RG85685). N.R. acknowledges the support of the Cambridge International Scholarship and the TrinityHenry Barlow Scholarship (Honorary). O.K.F. and R.Q.S. acknowledge funding from the U.S. Department of Energy (DE-FG02-08ER15967). R.S.F. and D.B. acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (SCoTMOF), ERC-2015-StG 677289. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. The authors gratefully acknowledge funding from the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, through the Hydrogen Storage Materials Advanced Research Consortium (HyMARC). This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government. J.D.E. acknowledges the support of the Alexander von Humboldt Foundation and the Center for Information Services and High Performance Computing (ZIH) at TU Dresden. S.K.G. and S.M. acknowledge SERB (Project No. CRG/2019/000906), India for financial support. K.K. and R.K. acknowledge Active Co. Research Grant for funding. S.K. acknowledges funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (COSMOS), ERC-2017-StG 756489. N.L. and J.G.M acknowledge funding from the European Commission through the H2020-MSCA-RISE-2019 program (ZEOBIOCHEM -872102) and the Spanish MICINN and AEI/FEDER (RTI2018-099504-B-C21). N.L. thanks the University of Alicante for funding (UATALENTO17-05). ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (Grant No. SEV-2017-0706) S.M.J.R. and A.L. wish to thank the Fund for Scientific Research Flanders (FWO), under grant nos. 12T3519N and 11D2220N. L.S. was supported by the EPSRC Cambridge NanoDTC EP/L015978/1. C.T.Y. and T.S.N. acknowledges funds from the National Research Foundation of Korea, NRF-2017M3A7B4042140 and NRF-2017M3A7B4042235. P.F. and H. Y. acknowledge US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Award No. DE-SC0010596 (P.F.). R.O. would like to acknowledge funding support during his Ph.D. study from Indonesian Endowment Fund for Education-LPDP with the contract No. 202002220216006. Daniel Siderius: Official contribution of the National Institute of Standards and Technology (NIST), not subject to copyright in the United States of America. Daniel Siderius: Certain commercially available items may be identified in this paper. This identification does not imply recommendation by NIST, nor does it imply that it is the best available for the purposes described. B.V.L, S.T.E and A.M.P acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 Research and Innovation Program (Grant agreement no. 639233, COFLeaf)., Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer–Emmett–Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of microand mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This roundrobin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called “BET surface identification” (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible., European Research Council (ERC) ERC-2016-COG 726380 ERC-2015-StG 677289 ERC-2017-StG 756489 639233, UK Research & Innovation (UKRI) Innovate UK 104384 UK Research & Innovation (UKRI), Engineering & Physical Sciences Research Council (EPSRC) IAA/RG85685, Cambridge International Scholarship TrinityHenry Barlow Scholarship, United States Department of Energy (DOE) DE-FG02-08ER15967, National Nuclear Security Administration DE-NA-0003525, United States Department of Energy (DOE), Alexander von Humboldt Foundation, Center for Information Services and High Performance Computing (ZIH) at TU Dresden, Department of Science & Technology (India), Science Engineering Research Board (SERB), India CRG/2019/000906, Active Co. Research Grant, European Commission through the H2020-MSCA-RISE-2019 program ZEOBIOCHEM -872102, Spanish MICINN and AEI/FEDER RTI2018-099504-B-C21, University of Alicante UATALENTO17-05, Spanish Government SEV-2017-0706 FWO 12T3519N 11D2220N, UK Research & Innovation (UKRI), Engineering & Physical Sciences Research Council (EPSRC) EP/L015978/1, National Research Foundation of Korea NRF-2017M3A7B4042140 NRF-2017M3A7B4042235, United States Department of Energy (DOE) DE-SC0010596, Indonesian Endowment Fund for Education-LPDP 202002220216006

Published
2022

20. Influence of elastic-viscoplastic behaviour on the filling efficiency of amorphous thermoplastic polymer during the micro hot embossing process

Author

N. Aït Hocine, G. Cheng, Thierry Barriere, F. Rabhi, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours, Mécanique des Matériaux et Procédés (MMP), Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)

Subjects
chemistry.chemical_classification, 0209 industrial biotechnology, Materials science, Viscoplasticity, Computer simulation, Strategy and Management, Constitutive equation, [PHYS.MECA]Physics [physics]/Mechanics [physics], 02 engineering and technology, Polymer, Management Science and Operations Research, 021001 nanoscience & nanotechnology, Methacrylate, Industrial and Manufacturing Engineering, Amorphous solid, 020901 industrial engineering & automation, chemistry, [SPI.MECA.MEMA]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanics of materials [physics.class-ph], [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Composite material, 0210 nano-technology, Displacement (fluid), ComputingMilieux_MISCELLANEOUS, Microscale chemistry
Abstract

International audience; An unsolved issue in simulating the hot embossing of polymers is modelling the unfilled structured mould. This is because the constitutive law of such polymers has not been adequately determined, especially at the microscale or smaller. The present study investigated the influence of the elastic-viscoplastic behaviour on the filling efficiency of an amorphous polymer during the micro hot embossing process. Constitutive equations based on the two-layer viscoplastic model were used to simulate the hot embossing process. The micro-cavity of the mould was completely filled by the polymer, and the elastic, viscous, and plastic behaviours were considered simultaneously in the simulation. Compression tests were performed to identify the model parameter values for poly-methyl methacrylate. A numerical simulation was performed to analyse the contributions of the polymer’s elastic, viscous, and plastic behaviours. The unfilled area in the micro-cavity was evaluated after a displacement of 0.2 mm was applied to the mould. This was used as an indicator to compare the mould filling efficiency with those of the elastoplastic and elastic-viscoplastic constitutive models. The analysis led to the selection of an optimal elastic-viscoplastic model to completely fill the micro-cavity, which was consistent with the experimental results.

Published
2020

21. Modulated structure determination and ion transport mechanism of oxide-ion conductor CeNbO4+δ

Author

Fengjuan Pan, Jianhua Lin, Cong Lin, Junliang Sun, Mathieu Allix, Jian Li, Shipeng Geng, Lukáš Palatinus, Xiaojun Kuang, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), and Université d'Orléans (UO)

Subjects
Solid-state chemistry, Materials science, Science, Oxide, General Physics and Astronomy, chemistry.chemical_element, Ionic bonding, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 01 natural sciences, Oxygen, General Biochemistry, Genetics and Molecular Biology, Ion, chemistry.chemical_compound, [CHIM.CRIS]Chemical Sciences/Cristallography, Ionic conductivity, [CHIM]Chemical Sciences, lcsh:Science, Ion transporter, Multidisciplinary, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Electron diffraction, chemistry, Physical chemistry, lcsh:Q, 0210 nano-technology
Abstract

CeNbO4+δ, a family of oxygen hyperstoichiometry materials with varying oxygen content (CeNbO4, CeNbO4.08, CeNbO4.25, CeNbO4.33) that shows mixed electronic and oxide ionic conduction, has been known for four decades. However, the oxide ionic transport mechanism has remained unclear due to the unknown atomic structures of CeNbO4.08 and CeNbO4.33. Here, we report the complex (3 + 1)D incommensurately modulated structure of CeNbO4.08, and the supercell structure of CeNbO4.33 from single nanocrystals by using a three-dimensional electron diffraction technique. Two oxide ion migration events are identified in CeNbO4.08 and CeNbO4.25 by molecular dynamics simulations, which was a synergic-cooperation knock-on mechanism involving continuous breaking and reformation of Nb2O9 units. However, the excess oxygen in CeNbO4.33 hardly migrates because of the high concentration and the ordered distribution of the excess oxide ions. The relationship between the structure and oxide ion migration for the whole series of CeNbO4+δ compounds elucidated here provides a direction for the performance optimization of these compounds.

Published
2020

22. First-Principles Determination of Transference Numbers in Cryolitic Melts

Author

Mathieu Salanne, Kelly Machado, Catherine Bessada, Patrice Chartrand, Aĩmen Ernest Gheribi, Didier Zanghi, Polytechnique Montreal, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), and Université d'Orléans (UO)

Subjects
Materials science, General Chemical Engineering, Ionic bonding, Charge (physics), [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, General Chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, Electron transport chain, Industrial and Manufacturing Engineering, 020401 chemical engineering, Chemical physics, 0204 chemical engineering, 0210 nano-technology
Abstract

International audience; The charge and electron transport properties of molten ionic systems are among the most relevant properties to consider in the control of several electrochemical processes. First-principles-based equilibrium molecular dynamics (EMD) can provide reliable predictions of both the total and partial charge transport properties. In this work we calculate the charge transport properties of the electrolytic bath (Na 3 AlF 6-AlF 3-Al 2 O 3) of the Hall-Héroult electrolysis cells. We predict both the individual and collective charge transport properties (total, partial conductivity and self diffusion coefficients) for 11 different compositions typical of industrial conditions via a series of EMD simulations. The predicted total and partial ionic conductivities and their composition dependence are compared to available experimental data. A good agreement is obtained for all studied compositions. From a more fundamental point of view, the microscopic aspect of the charge transport properties of cryolitic melts is discussed through its correlation to the local structure of different melts. Deviations between the calculated partial conductivities and those derived via the Nernst-Einstein approximation can be explained by the presence of strong short-range ordering within the melts.

Published
2020

23. X‐ray photoelectron spectroscopy characterization of Cu compounds for the development of organic protection treatments dedicated to heritage Cu objects preservation

Author

Muriel Bouttemy, Arnaud Etcheberry, Florence Mercier-Bion, Emilande Apchain, Philippe Dillmann, Maëva L’héronde, Delphine Neff, Laboratoire Archéomatériaux et Prévision de l'Altération (LAPA - UMR 3685), Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M) (NIMBE UMR 3685), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut Lavoisier de Versailles (ILV), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut photonique d'analyse non-destructive européen des matériaux anciens (IPANEMA), Muséum national d'Histoire naturelle (MNHN)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), IRAMAT - Laboratoire Métallurgies et Cultures (IRAMAT - LMC), Institut de Recherches sur les Archéomatériaux (IRAMAT), Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne-Centre National de la Recherche Scientifique (CNRS), Fondation des Sciences du Patrimoine, Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne (UBM)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne (UBM)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut Rayonnement Matière de Saclay (IRAMIS), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
010302 applied physics, Cuprite, Materials science, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, Surfaces and Interfaces, General Chemistry, engineering.material, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Surfaces, Coatings and Films, Characterization (materials science), X-ray photoelectron spectroscopy, 13. Climate action, visual_art, 0103 physical sciences, Materials Chemistry, engineering, visual_art.visual_art_medium, Brochantite, 0210 nano-technology, Nuclear chemistry
Abstract

International audience; The preservation of bronze and copper heritage objects is challenging. Exposure to water or pollution in outdoor conditions leads to corrosion phenomena, which can highly degrade the objects or structures. We aim to develop an alternative nontoxic corrosion inhibiting treatment, based on the use of a carboxylate (HC10) treatment. Electron spectroscopies (X‐ray photoelectron spectroscopy and scanning Auger microscopy) are used to determine, from micrometric to nanometric scale, the composition and chemical environments (oxidation degrees) of the copper compounds commonly found in the corrosion product layer. In the present study, we focus on the evaluation of X‐ray beam irradiation damage when performing surface analysis on cuprite, brochantite, and Cu decanoate reference samples. The reduction phenomenon has already been reported, especially for Cu(II) compounds, but not clearly explained. Different behavior has been observed depending on the X‐ray source used, and the nature and hydration level of the compounds. The photoreduction issue is critical, as it guarantees the reliability of the chemical information obtained and sheds light on the best analysis pathway to adopt when multitechnique analyses are implemented. An analytical procedure is employed to track the reduction of Cu(II) reference samples during XPS analysis evidencing practically instantaneous modifications of the spectra and thus, the instability of these phases except for the dehydrated cuprite sample.

Published
2020

24. Impact of Oil-Prone Sedimentary Organic Matter Quality and Hydrocarbon Generation on Source Rock Porosity: Artificial Thermal Maturation Approach

Author

Amélie Cavelan, Claude Le Milbeau, Mohammed Boussafir, Fatima Laggoun-Défarge, Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Biogéosystèmes Continentaux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Region Centre-Val de Loire, France.

Subjects
020209 energy, General Chemical Engineering, [SDU.STU]Sciences of the Universe [physics]/Earth Sciences, 02 engineering and technology, 010502 geochemistry & geophysics, 01 natural sciences, Article, Methane, chemistry.chemical_compound, 0202 electrical engineering, electronic engineering, information engineering, Sedimentary organic matter, Porosity, QD1-999, 0105 earth and related environmental sciences, chemistry.chemical_classification, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Thermal conductivity detector, General Chemistry, Chemistry, Hydrocarbon, Kimmeridge Clay, Volume (thermodynamics), Source rock, chemistry, Chemical engineering, 13. Climate action
Abstract

International audience; This work investigates the relation between the molecular composition of the organic matter (OM), hydrocarbon generation, and porosity of artificially matured mudstones from the Kimmeridge Clay formation. Anhydrous thermal maturations, geochemical characterization (gas chromatography−mass spec-trometry, gas chromatography with a thermal conductivity detector), scanning electron microscopy observations, and nitrogen adsorption measurements were carried out. The results were compared to the calculated OM porosity after maturation. Our results reveal that samples richer in phytoplanktonic OM generated more abundant oils enriched in alkanes and lighter aromatic hydrocarbons (i.e., biphenyls and naphthalenes) that are more able to fill the adjacent pores of the mineral matrix during maturation. Both the calculated and the observed OM porosity increases during maturation, but the measured rock pore volume shows a non-linear evolution related to the amount of gas generated and the ensuing ability of the rock to preserve the pores. The secondary cracking of highly oil-prone samples generated larger amounts of C 1 −C 5 gases but lower pore volumes, less well preserved. OM composition and its ability to generate oil and gas seem therefore to affect the pore volume. These variations are nevertheless small compared to the effect of thermal maturity, which remains the major process controlling the evolution of porosity. During gas generation, high C 2 −C 5 concentrations are generated compared to methane. The short thermal maturation duration of our experiments may have delayed the conversion of C 2 −C 5 hydrocarbons to methane. In addition, slight differences in the concentrations of saturated and aromatic components and markedly different pore volumes and pore size distributions exist between artificially and naturally matured rocks. The conditions of artificial maturations may thus impact the thermal transformations of OM, emphasizing the necessity to investigate the role of the artificial maturation kinetics on OM and porosity.

Published
2020

25. Nanolime consolidation of the main building stone of the archaeological site of Volubilis (Morocco)

Author

Muzahim Al-Mukhtar, Ali Chaaba, Xavier Brunetaud, Kévin Beck, Dalal Badreddine, Génie Civil (GC), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT), Ecole Nationale Supérieure d'Arts et Métiers [Meknes] (ENSAM), Université Moulay Ismail (UMI), Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)

Subjects
Archeology, Consolidation (soil), Materials Science (miscellaneous), 010401 analytical chemistry, 02 engineering and technology, Conservation, Unesco world heritage, 021001 nanoscience & nanotechnology, 01 natural sciences, Archaeology, [SPI.MAT]Engineering Sciences [physics]/Materials, 0104 chemical sciences, Calcarenite, [SPI.GCIV]Engineering Sciences [physics]/Civil Engineering, Chemistry (miscellaneous), 0210 nano-technology, General Economics, Econometrics and Finance, ComputingMilieux_MISCELLANEOUS, Spectroscopy, Geology, Salt crystallization
Abstract

Volubilis is the most important archaeological site in Morocco, considered as a UNESCO world heritage site since 1997. Unfortunately, the sustainability of the site is in danger by the many degradation patterns detected on the site. Urgent interventions are required in order to consolidate and restore the monuments of the site. In this paper, the efficiency of nanolime as a consolidation treatment for calcarenite stone, the main construction stone of the site, was assessed. To create degraded reference samples, calcarenite samples were subjected to two accelerated aging tests: a thermal shock test and a salt crystallization test. The two tests created damage quite similar to that of the site, namely cracking and surface degradation respectively. These samples were then treated with nanolime according to a protocol defined in relation to the stone properties and the concentration of the product used. After the application of nanolime, the samples were characterized using non-destructive tests (P-wave velocity, capillary absorption, surface hardness, and colorimetric tests) depending on the type of stone damage. On cracked samples, the treatment acted on the surface of the stone while cracks were still present in depth. On salt crystallized samples, the treatment was efficient as it helped recover the lost surface cohesion. Therefore, the nanolime treatment is efficient for stones that are degraded at the surface (sanding, alveolization, scaling) but less so for cracked stones of the Volubilis site.

Published
2020

26. First Example of Protonation of Ruddlesden–Popper Sr2IrO4: A Route to Enhanced Water Oxidation Catalysts

Author

Alexis Grimaud, Paul E. Pearce, Daniel Alves Dalla Corte, Domitille Giaume, Ronghuang Zhang, Gwenaëlle Rousse, Heifang Li, Artem M. Abakumov, Michaël Deschamps, Vanessa Pimenta, Jordi Cabana, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université d'Orléans (UO), Chimie du solide et de l'énergie (CSE), and Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Chemical transformation, Materials science, Hydrogen, Electrolysis of water, business.industry, General Chemical Engineering, Inorganic chemistry, chemistry.chemical_element, Protonation, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, Catalysis, Renewable energy, chemistry, Value (economics), Materials Chemistry, 0210 nano-technology, business
Abstract

International audience; Water electrolysis is considered as a promising way to store and convert excess renewable energies into hydrogen, which is of high value for many chemical transformation processes such as the Haber-Bosch process. However, to allow for the widespread of the polymer electrolyte membrane water electrolysis (PEMWE) technology, the main challenge lies in the design of robust catalysts for oxygen evolution reaction (OER) under acidic conditions since most of transition metal-based oxides undergo structural degradation under these harsh acidic conditions. To broaden the variety of candidate materials as OER catalysts, a cation-exchange synthetic route was recently explored to reach crystalline pronated iridates with unique structural properties and stability. In this work, a new protonated phase H 3.6 IrO 4 •3.7H 2 O, prepared via Sr 2+ /H + cation exchange at room temperature starting from the parent Ruddlesden-Popper Sr 2 IrO 4 phase, is described. This is the first discovery of crystalline protonated iridate forming from a perovskite-like phase, adopting a layered structure with apex-linked IrO 6 octahedra. Furthermore, H 3.6 IrO 4 •3.7H 2 O is found to possess not only an enhanced specific catalytic activity, superior to that of other perovskite-based iridates, but also a mass activity comparable to that of nanosized IrO x particles, while showing an improved catalytic stability owing to its ability to reversibly exchange protons in acid.

Published
2020

27. Self-combustion of Ti-C and Ti-Al Powder Mixture in a Nitrogen Atmosphere: Product Application as Reinforcement in Metal Matrix Composites

Author

Said Seghar, Akram Alhussein, Clémence Fradet, Salem Dehlouz, Florian Lacroix, Said Azem, Laboratoire des Systèmes Mécaniques et d'Ingénierie Simultanée (LASMIS), Institut Charles Delaunay (ICD), Université de Technologie de Troyes (UTT)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Troyes (UTT)-Centre National de la Recherche Scientifique (CNRS), Mécanique des Matériaux et Procédés (MMP), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT), Laboratoire de Mécanique et de Rhéologie (LMR), Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Polytech'Tours, Université Mouloud Mammeri [Tizi Ouzou] (UMMTO), Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Université de Tours-Polytech'Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Centre de Recherche Scientifique et Technique en Analyses Physico-Chimiques (CRAPC), and Université d'Orléans (UO)-Université de Tours (UT)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL)

Subjects
Ti2AlN, Materials science, Composite number, Sintering, chemistry.chemical_element, 02 engineering and technology, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, SHS, chemistry.chemical_compound, 0103 physical sciences, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, General Materials Science, Composite material, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], 010302 applied physics, Titanium aluminide, Mechanical Engineering, nitrogen atmosphere, metal matrix composites (MMCs), [SPI.MECA]Engineering Sciences [physics]/Mechanics [physics.med-ph], Nanoindentation, Tribology, 021001 nanoscience & nanotechnology, chemistry, Mechanics of Materials, Wetting, 0210 nano-technology, Tin, mechanical and tribological properties, Ti(C N), Solid solution
Abstract

International audience; In this work, two copper metal matrix composites (MMCs) reinforced with 20 wt.% of Ti(C,N) or Ti2AlN particles were studied. The reinforcement particles were synthesized by flash sintering under 2 bar nitrogen atmosphere causing an SHS reaction ignited by electrical current. This reaction led to produce TiC0.7N0.3 solid solution for the MMC1 reinforcement and Ti2AlN, TiN, and Ti3Al titanium aluminide for the MMC2 reinforcement. Both MMCs were densified by liquid phase sintering. The structural characterization was performed by XRD analysis while the morphology and chemical element distribution of both MMCs were analyzed by SEM and EDS. The structure of the two MMCs was relatively dense and showed good wettability. The mechanical and tribological behavior of MMCs evaluated by nanoindentation and wear testing reveals that the addition of 20 wt.% of reinforcement considerably improves the properties of copper matrix. Indeed, the MMC1 proved to be 3 times harder and 10 times more wear-resistant than the MMC2 composite.

Published
2020

28. Cryptanalysis of a code-based one-time signature

Author

Philippe Gaborit, Jean-Christophe Deneuville, Sécurité des Données et des Systèmes (SDS), Laboratoire d'Informatique Fondamentale d'Orléans (LIFO), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Mathématiques & Sécurité de l'information (XLIM-MATHIS), XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), and Ecole Nationale de l'Aviation Civile (ENAC)

Subjects
Identity matrix, Cryptography, 0102 computer and information sciences, 02 engineering and technology, Signature, 01 natural sciences, law.invention, Cryptanalysis, Public-key cryptography, [INFO.INFO-CR]Computer Science [cs]/Cryptography and Security [cs.CR], law, 0202 electrical engineering, electronic engineering, information engineering, Code (cryptography), [INFO]Computer Science [cs], Mathematics, Post-quantum cryptography, business.industry, Applied Mathematics, 020206 networking & telecommunications, Coding theory, Computer Science Applications, Time signature, [INFO.INFO-IT]Computer Science [cs]/Information Theory [cs.IT], 010201 computation theory & mathematics, Post-Quantum Cryptography, business, Algorithm, Coding Theory
Abstract

International audience; In 2012, Lyubashevsky introduced a new framework for building lattice-based signature schemes without resorting to any trapdoor (such as GPV [6] or NTRU [7]). The idea is to sample a set of short lattice elements and construct the public key as a Short Integer Solution (SIS for short) instance. Signatures are obtained using a small subset sum of the secret key, hidden by a (large) Gaussian mask. (Information leakage is dealt with using rejection sampling.) Recently, Per-sichetti proposed an efficient adaptation of this framework to coding theory [12]. In this paper, we show that this adaptation cannot be secure, even for one-time signatures (OTS), due to an inherent difference between bounds in Hamming and Euclidean metrics. The attack consists in rewriting a signature as a noisy syndrome decoding problem, which can be handled efficiently using the extended bit flipping decoding algorithm. We illustrate our results by breaking Persichetti's OTS scheme built upon this approach [12]: using a single signature, we recover the secret (signing) key in about the same amount of time as required for a couple of signature verifications.

Published
2020

29. Effect of Hydrated Lime and Cement on the Engineering Behavior of Highly Expansive Clay

Author

Alain Jacquet, Muzahim Al-Mukhtar, Kévin Beck, Serge Sabio, Nouffou Tapsoba, Marwen Bouasker, Fawzi Bouras, Mylène Martin, Naima Belayachi, Beck, Kevin, Lafarge Centre de Recherche [Lyon] (Lafarge LCR Lyon), Lafarge, Génie Civil (GC), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT), Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)

Subjects
010302 applied physics, Cement, Materials science, Expansive clay, [SPI.GCIV.GEOTECH]Engineering Sciences [physics]/Civil Engineering/Géotechnique, 02 engineering and technology, General Medicine, engineering.material, 021001 nanoscience & nanotechnology, 01 natural sciences, [SPI.GCIV]Engineering Sciences [physics]/Civil Engineering, 0103 physical sciences, engineering, [SPI.GCIV] Engineering Sciences [physics]/Civil Engineering, Geotechnical engineering, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS, Lime
Abstract

International audience

Published
2020

30. Hexagonal Sr1−x/2Al2−xSixO4:Eu2+,Dy3+ transparent ceramics with tuneable persistent luminescence properties

Author

Alberto J. Fernández-Carrión, Atul D. Sontakke, Setsuhisa Tanabe, Mikhail G. Brik, Kazuki Asami, Bruno Viana, Charlotte Monteiro, Mathieu Allix, Jian Xu, Victor Castaing, Institut de Recherche de Chimie Paris (IRCP), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), and Université d'Orléans (UO)

Subjects
Quenching, Materials science, Photoluminescence, Transparent ceramics, Band gap, Analytical chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Thermoluminescence, 0104 chemical sciences, Afterglow, Inorganic Chemistry, Persistent luminescence, 0210 nano-technology, Luminescence
Abstract

International audience; Co-doped hexagonal Sr1-x/2Al2-xSixO4:Eu 2+ ,Dy 3+ (0.1≤x≤0.5) transparent ceramics have been elaborated by full glass crystallization. The compositions with low SiO2 content (x≤0.4) require fast quenching conditions to form glass, i.e. specific elaboration processes such as aerodynamic levitation coupled to laser heating, whereas the x=0.5 glass composition can be prepared at large scale by classic meltquenching method in commercial furnaces. After a single thermal treatment, the resulting SrAl2O4-based transparent ceramics show varying photoluminescence emission properties when x increases. These variations are also observable in persistent luminescence, resulting in an afterglow colour-tuning ranging from green to light blue. Afterglow excitation spectra highlight the possible activation in the visible range of the obtained persistent luminescence. Indeed, persistent luminescence of hexagonal Sr0.75Al1.5Si0.5O4:Eu 2+ ,Dy 3+ large transparent ceramics has been successfully charged using a typical smartphone low power white light source. Moreover, thermoluminescence glow curves of samples containing different Dy 3+ doping concentrations are studied to gain insights regarding the traps origin and depth. Coupling thermoluminescence results together with luminescence thermal quenching and band gap calculations appears useful to understand the charge trapping and detrapping evolution with the material composition. Varying the Si-content in hexagonal Sr1-x/2Al2-xSixO4:Eu 2+ ,Dy 3+ compounds appears as a promising strategy to obtain transparent materials with tuneable green to light blue persistent luminescence.

Published
2020

31. Potential of N2/O2atmospheric pressure needle-water DC microplasmas for nitrogen fixation: nitrite-free synthesis of nitrates

Author

Nepal Chandra Roy, David Petitjean, Cedric Pattyn, Nicolas Maira, Sylvain Iseni, François Reniers, Antoine Remy, Faculté des Sciences [Bruxelles] (ULB), Université libre de Bruxelles (ULB), Groupe de recherches sur l'énergétique des milieux ionisés (GREMI), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)

Subjects
Materials science, Absorption spectroscopy, Inorganic chemistry, General Physics and Astronomy, 02 engineering and technology, 7. Clean energy, 01 natural sciences, law.invention, Physico-chimie générale, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, [PHYS.PHYS.PHYS-PLASM-PH]Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph], law, 0103 physical sciences, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, Nitrite, 010302 applied physics, Atmospheric pressure, Physique, Microplasma, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, [SPI.PLASMA]Engineering Sciences [physics]/Plasmas, Aqueous two-phase system, Chimie théorique, Plasma, Astronomie, 021001 nanoscience & nanotechnology, 6. Clean water, Cathode, Anode, chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract

A needle-water DC microplasma system working at atmospheric pressure in N2/O2 gas mixtures is used to study the fundamental mechanisms of nitrate/nitrite synthesis in highly complex and yet little-known plasma-water systems. Plasma properties are investigated by means of optical emission spectroscopy while the activated water is analyzed following the treatment using ionic chromatography and UV-Vis absorbance spectroscopy. Experiments highlight that the energy efficiency and selectivity of the process are influenced by the oxygen content and the plasma-induced water heating, with strong differences when the water surface is the anode or the cathode electrode. Nitrates are successfully synthesized without residual nitrites in the solution with a comparatively higher energy efficiency when the water is the cathode. The possible reactions involved in the gas phase and aqueous phase chemistry are presented and future scope for the optimization of the system is discussed., SCOPUS: ar.j, info:eu-repo/semantics/published

Published
2020

32. Innovative in situ remediation of mine waters using a layered double hydroxide-biochar composite

Author

Barbora Hudcová, Michael Komárek, Petr Lacina, Delphine Vantelon, Ivo Šafařík, Peter Šottník, Veronika Veselská, Hana Šillerová, Michael Pohořelý, Gildas Ratié, Bronislava Lalinská-Voleková, Ľubomír Jurkovič, Lukáš Trakal, Czech University of Life Sciences Prague (CZU), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Biogéosystèmes Continentaux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC)

Subjects
Environmental Engineering, Materials science, Environmental remediation, Health, Toxicology and Mutagenesis, Composite number, 0207 environmental engineering, 02 engineering and technology, 010501 environmental sciences, engineering.material, 01 natural sciences, Water Purification, chemistry.chemical_compound, Adsorption, Biochar, Hydroxides, Environmental Chemistry, efficient As and Sb removal, 020701 environmental engineering, Waste Management and Disposal, 0105 earth and related environmental sciences, layered double hydroxide modification, Layered double hydroxides, multiscale columns, Pollution, 6. Clean water, Kinetics, chemistry, Chemical engineering, mine water remediation, [SDU]Sciences of the Universe [physics], Charcoal, engineering, Hydroxide, biochar-based composite, Water treatment, Dispersion (chemistry), Water Pollutants, Chemical
Abstract

International audience; The current demand for alternative water sources requires the incorporation of low-cost composites in remediation technologies; these represent a sustainable alternative to more expensive, commercially used adsorbents. The main objective of this comprehensive field-scale study was to incorporate the layered double hydroxides (LDHs) into the hybrid biochar-based composites and apply an innovative material to remediate As/Sb-rich mine waters. The presence of hydrous Fe oxides (HFOs) within the composite enhanced the total adsorption efficiency of the composite for As(V) and Sb(V). The kinetic data fitted to a pseudo-second order model. Equilibrium experiments confirmed that the composite had a stronger interaction with As(V) than with Sb(V). The efficient removal of As(V) from mine water was achieved in both batch and continuous flow column systems, reaching up to 98% and 80%, respectively. Sb(V) showed different behavior to As(V) during mine water treatment, reaching adsorption efficiencies of up to 39% and 26% in batch and column experiments, respectively. The migration of Sb(V) in mine water was mostly attributed to its dispersion before it was able to show affinity to the composite. In general, the proposed column technology is suitable for the field remediation of small volumes of contaminated water, and thus has significant commercial potential.

Published
2022

33. Mineralogical transformations due to salt whitening agent in modern Hebron ceramics

Author

Laura Teodorescu, Nadia Cantin, Ayed Ben Amara, Rémy Chapoulie, Valentine Roux, Roux, Valentine, IRAMAT-Centre de recherche en physique appliquée à l’archéologie (IRAMAT-CRP2A), Institut de Recherches sur les Archéomatériaux (IRAMAT), Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Belfort-Montbeliard (UTBM)-Université d'Orléans (UO)-Université Bordeaux Montaigne-Centre National de la Recherche Scientifique (CNRS), University of Pitesti, Technologie et Ethnologie des Mondes Préhistoriques (TEMPS), Université Paris 1 Panthéon-Sorbonne (UP1)-Université Paris Nanterre (UPN)-Centre National de la Recherche Scientifique (CNRS), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Université Bordeaux Montaigne-Université de Technologie de Belfort-Montbeliard (UTBM), and Centre National de la Recherche Scientifique (CNRS)

Subjects
Archeology, [CHIM.MATE] Chemical Sciences/Material chemistry, [SHS.ARCHEO] Humanities and Social Sciences/Archaeology and Prehistory, [SHS.ARCHEO]Humanities and Social Sciences/Archaeology and Prehistory, XRD, Petrography, 0211 other engineering and technologies, 020101 civil engineering, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, Hebron Salt, Firing process, 0201 civil engineering, NaCl Whitening, SEM-EDX, Colorimetry, ComputingMilieux_MISCELLANEOUS, 021101 geological & geomatics engineering
Abstract

International audience; The aim of this research is to investigate the influence of NaCl on the colours and chemical composition of Carich ceramic bodies. The addition of salt to ceramics is a practice that has been observed in several potter communities where the addition of salt is explicitly intended to whiten ceramics. In order to conduct this research and characterize the physico-chemical properties induced by the presence of salt, raw clay material and pot sherds were collected from the modern production at Hebron. Experimental bricks were made using two clayed sediments: one with a low CaO content (

Published
2022

34. Fluorescence microscopy and photodielectric characterization studies of the composite films of polyvinyl alcohol and tryptophan functionalized silver nanoparticles

Author

Duško Dudić, Vladimir Djoković, D. Tošić, Jelena Pajovic, Dušan K. Božanić, Radovan Dojčilović, Matthieu Réfrégiers, Vinča Institute of Nuclear Sciences, University of Belgrade [Belgrade], Universitat Pompeu Fabra [Barcelona] (UPF), Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Refregiers, Matthieu, and Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
Materials science, Photodielectric, Nanoparticle, 02 engineering and technology, Ag, 010402 general chemistry, 01 natural sciences, Polyvinyl alcohol, Silver nanoparticle, Crystallinity, chemistry.chemical_compound, Colloid and Surface Chemistry, Differential scanning calorimetry, Fluorescent imaging, Nanocomposite, integumentary system, Tryptophan, 021001 nanoscience & nanotechnology, Fluorescence, [PHYS.COND.CM-MS] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0104 chemical sciences, Chemical engineering, chemistry, PVA, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, Glass transition
Abstract

Fluorescent nanocomposite films were prepared by solution mixing of polyvinyl alcohol (PVA) and tryptophan functionalized silver (AgTrp) nanoparticles. Synchrotron excitation deep-ultraviolet (DUV) fluorescence imaging was used to follow the distribution of AgTrp nanoparticles within the polymer matrix. Pronounced growth of dendrite-like structures in the presence of AgTrp nanoparticles was confirmed by bright field and fluorescence imaging as well as with atomic force microscopies. Both tryptophan and AgTrp nanoparticles influence thermal properties of the matrix. Differential scanning calorimetry measurements showed that they reduce crystallinity and significantly increase the glass transition temperature of PVA (in the case of PVA-AgTrp film the Tg increases by ~20 °C). Dielectric properties of the films were studied under two different conditions (dark and illumination). The illumination with 250 nm light induces a significant increase in conductance of the PVA-AgTrp nanocomposite. The relative changes, with respect to the conductance measured in the dark, were almost ~200%.

Published
2022

35. Analysis and Comparison of Electromagnetic Microrobotic Platforms for Biomedical Applications

Author

Ruipeng CHEN, David FOLIO, Antoine Ferreira, Laboratoire pluridisciplinaire de recherche en ingénierie des systèmes, mécanique et énergétique (PRISME), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA), Laboratoire Pluridisciplinaire de Recherche en Ingénierie des Systèmes, Mécanique et Energétique (PRISME), Ecole Nationale Supérieure d'Ingénieurs de Bourges (ENSI Bourges)-Université d'Orléans (UO), and Inserm 'Plan Cancer' 2014–2019 program, Project: Microrobots Targeting Glioblastoma (MTG).

Subjects
electromagnetic actuation, Fluid Flow and Transfer Processes, Technology, 0209 industrial biotechnology, QH301-705.5, Physics, QC1-999, Process Chemistry and Technology, General Engineering, 02 engineering and technology, Engineering (General). Civil engineering (General), 021001 nanoscience & nanotechnology, medical magnetic microrobots, Computer Science Applications, [SPI.AUTO]Engineering Sciences [physics]/Automatic, Chemistry, 020901 industrial engineering & automation, General Materials Science, TA1-2040, Biology (General), 0210 nano-technology, QD1-999, Instrumentation, minimally invasive surgery
Abstract

International audience; Magnetic microrobotics is a promising technology for improving minimally invasive surgery (MIS) with the ambition of enhancing patient care and comfort. The potential benefits include limited incisions, less hemorrhaging and postoperative pain, and faster recovery time. To achieve this, a key issue relies on the design of a proper electromagnetic actuation (EMA) setup which is based on the use of magnetic sources. The magnetic field and its gradient generated by the EMA platform is then used to induce magnetic torque and force for microrobot manipulations inside the human body. Like any control systems, the EMA system must be adapted to the given controlled microrobot and customized for the application. With great research efforts on magnetic manipulating of microrobots, the EMA systems are approaching commercial applications, and their configurations are becoming more suitable to be employed in real medical surgeries. However, most of the proposed designs have not followed any specific rule allowing to take into account the biomedical applications constraints. Through reviewing the different proposed EMA systems in the literature, their various specifications and configurations are comprehensively discussed and analyzed. This study focus on EMA platforms that use electromagnets. From this review and based on the biomedical application specifications, the appropriate EMA system can be determined efficiently.

Published
2022

36. Does grain size influence hydrocarbons generation and mesoporosity during artificial thermal maturation of an organic-rich mudstone?

Author

Mohammed Boussafir, Amélie Cavelan, Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Biogéosystèmes Continentaux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), GéoHydrosystèmes COntinentaux (GéHCO EA6293), Université de Tours, French council of the region Centre-Val de Loire, ANR-10-LABX-0100,VOLTAIRE,Geofluids and Volatil elements – Earth, Atmosphere, Interfaces – Resources and Environment(2010), Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), and Université de Tours (UT)

Subjects
Materials science, 020209 energy, Mineralogy, 02 engineering and technology, artificial thermal maturation, Equidimensional, Geotechnical Engineering and Engineering Geology, Grain size, Fuel Technology, 020401 chemical engineering, Rock fragment, Grind, Mudstones, [SDU]Sciences of the Universe [physics], Thermal, 0202 electrical engineering, electronic engineering, information engineering, mesoporosity, Rock fabrics, 0204 chemical engineering, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, Oil shale
Abstract

International audience; To assess how the grain size/rock fabric of laboratory-matured shale samples impact oil, gas production, and the formation of pores during laboratory thermal maturation, cores (4.5 mm*1 cm) of bulk rock, millimetric equidimensional rock fragments (3*3 mm), and fine grind powder (

Published
2022

37. An innovative kinetic model allowing insight in the moderate temperature chemical vapor deposition of silicon oxynitride films from tris(dimethylsilyl)amine

Author

Konstantina Christina Topka, Paris Papavasileiou, Babacar Diallo, Tryfon Tsiros, Laura Decosterd, Brigitte Caussat, Marie-Joëlle Menu, Diane Samélor, Constantin Vahlas, Hugues Vergnes, François Senocq, Nadia Pellerin, Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), ANR-17-CE08-0056,HEALTHYGLASS,Surfaces de verre performantes et durables pour la pharmacie(2017), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Laboratoire de Génie Civil (LGC), and Université Blaise Pascal - Clermont-Ferrand 2 (UBP)

Subjects
Experimental validation, Silicon oxynitride, Materials science, Silicon, General Chemical Engineering, Matériaux, chemistry.chemical_element, 02 engineering and technology, Chemical vapor deposition, Computational fluid dynamics, 01 natural sciences, Chemical reaction, Industrial and Manufacturing Engineering, [SPI.MAT]Engineering Sciences [physics]/Materials, chemistry.chemical_compound, Phase (matter), 0103 physical sciences, Environmental Chemistry, Molecule, Deposition (phase transition), Génie chimique, Thin film, Génie des procédés, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Kinetic model, 021001 nanoscience & nanotechnology, Silanamine precursor, chemistry, Chemical engineering, 0210 nano-technology
Abstract

International audience; An apparent kinetic model is developed for a novel chemical vapor deposition (CVD) process of silicon oxynitride (SiO x N y) films from tris(dimethylsilyl)amine (TDMSA) and O 2 , operating at moderate temperature (600-650 • C) and at atmospheric pressure. The definition of reaction pathways and the extraction of kinetic information is based on recently reported results of the gas phase composition, complemented by solid phase characteristics obtained by spectroscopic ellipsometry (SE) and ion beam analyses (IBA). Incorporation of carbon (up to 20 at. %) is considered alongside nitrogen (up to 25 at.%) for variable O 2 flow rates (0.3-1.2 sccm). This combined gasand solid-phase analysis is utilized to identify the main gaseous species and provide insight into the deposition mechanism. A silicon-and a nitrogen-centered radical intermediates are considered as the primary species of the mechanism, based on evidence from gas phase characterizations. A third, fictitious, nitrogen-and carboncontaining molecule is also conceptualized to account for carbon incorporation. Eight chemical reactions are defined alongside their respective kinetic parameters and are implemented in the ANSYS® FLUENT® computational fluid dynamics (CFD) code. Upon validation, the model allows for the successful prediction of local deposition rates and SiO x N y film composition containing non-negligible carbon, marking it as the first kinetic model able to represent the main chemical mechanisms involved in the CVD of a four-component material. The reported combined approach could be applied to other existing or new CVD chemistries forming multicomponent thin films, favoring their implementation in original applications.

Published
2022

38. Investigating the importance of critical infrastructures' interdependencies during recovery; lessons from Hurricane Irma in Saint-Martin's island

Author

Jean-Marie Cariolet, Marc Vuillet, Youssef Diab, Rita Der Sarkissian, Laboratoire d'Économie d'Orleans (LEO), Université d'Orléans (UO)-Université de Tours (UT), LAB'URBA (LAB'URBA), Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Université Gustave Eiffel, Littoral, Environnement, Télédétection, Géomatique (LETG - Brest), Littoral, Environnement, Télédétection, Géomatique UMR 6554 (LETG), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-Université d'Angers (UA)-École pratique des hautes études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Brest (UBO)-Université de Rennes 2 (UR2), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Géographie et d'Aménagement Régional de l'Université de Nantes (IGARUN), Université de Nantes (UN)-Université de Nantes (UN)-Université de Caen Normandie (UNICAEN), Université de Nantes (UN)-Université de Nantes (UN), Agence Nationale de la Recherche- France (ANR), grant number ANR-18-OURA-0004., and Université d'Orléans (UO)-Université de Tours-Centre National de la Recherche Scientifique (CNRS)

Subjects
Computer science, Process (engineering), media_common.quotation_subject, 0211 other engineering and technologies, 0507 social and economic geography, Service restoration, 02 engineering and technology, Critical infrastructure, [SPI]Engineering Sciences [physics], [SPI.GCIV.IT]Engineering Sciences [physics]/Civil Engineering/Infrastructures de transport, [SPI.GCIV.RISQ]Engineering Sciences [physics]/Civil Engineering/Risques, ComputingMilieux_MISCELLANEOUS, media_common, 021110 strategic, defence & security studies, biology, business.industry, [SDE.IE]Environmental Sciences/Environmental Engineering, 05 social sciences, Environmental resource management, Geology, Building and Construction, [SHS.GEO]Humanities and Social Sciences/Geography, Geotechnical Engineering and Engineering Geology, [SDE.ES]Environmental Sciences/Environmental and Society, Interdependence, Toll, biology.protein, business, 050703 geography, Safety Research
Abstract

Most research on critical infrastructure (CI) interdependencies focus primarily on their role in propagating system disruptions, neglecting their role during the restoration and recovery processes. The few studies incorporating interdependencies to model restoration, often consider hypothetical situations, cover a maximum of five CIs, or focus on short-term recovery. In an effort to bridge this gap, the presented study investigates the influence of CI interdependencies on the restoration of Saint Martin's CI network-of-networks after Hurricane Irma. Daily restoration data of 15 CIs was collected to build service restoration curves over a period of 28 months (medium-to long-term recovery). Obtained recovery curves revealed that while Irma took a proportionate toll on all Saint-Martin's CI, the latter's recovery took a surprisingly long time. Our investigation found underlying interdependencies that were ignored in the plans, which could have led to a slower system restoration process. Accordingly, a holistic “network-of-networks”-based approach coupled with statistical modeling was followed to rank CI according to their criticality degree and correspondingly simulate a criticality-based systemic restoration plan. Key findings reveal that, in order to optimize CI recovery, the conventional silo-based and decentralized CI-by-CI restoration approaches should be complemented by a well-coordinated restoration strategy that recognizes and considers interdependencies.

Published
2022

39. An asymptotic finite plane deformation analysis of the elastostatic fields at a crack tip in the framework of hyperelastic, isotropic, and nearly incompressible neo-Hookean materials under mode-I loading

Author

Hocine Bechir, Arnaud Frachon, Mounir Methia, Nourredine Aït Hocine, Mécanique des Matériaux et Procédés (MMP), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université d'Orléans (UO)-Université de Tours-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)

Subjects
Physics, Asymptotic analysis, Deformation (mechanics), Cauchy stress tensor, Mechanical Engineering, Constitutive equation, Mathematical analysis, Computational Mechanics, 02 engineering and technology, 01 natural sciences, Finite element method, 010305 fluids & plasmas, Stress (mechanics), 020303 mechanical engineering & transports, 0203 mechanical engineering, Hyperelastic material, [SPI.MECA.MEMA]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanics of materials [physics.class-ph], 0103 physical sciences, Asymptotic expansion, ComputingMilieux_MISCELLANEOUS
Abstract

In this work, stress and displacement fields were computed around a crack tip in the case of nearly incompressible and isotropic neo-Hookean material. The constitutive equation was linearized, so that the Cauchy stress tensor could be written as a sum of two components: the linear response in term of elastic Hooke’s law and the nonlinear one. Based on this decomposition, an asymptotic analysis has been developed, the fields of linear elastic fracture mechanics (LEFM-theory) are the zero-order terms of the asymptotic expansion. The validity of the proposed theory has been checked in the case of a mode-I crack problem. A numerical model was constructed using a finite element method. It has shown that the computed fields arising from this theory are qualitatively in agreement with those of the finite element simulations.

Published
2019

40. In vivo effectiveness of carbonated calcium‐deficient hydroxyapatite‐coated activated carbon fiber cloth on bone regeneration

Author

Florian Olivier, Vincent Sarou‐Kanian, Franck Fayon, Sylvie Bonnamy, Nathalie Rochet, Interfaces, Confinement, Matériaux et Nanostructures ( ICMN), Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Institut de Biologie Valrose (IBV), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Côte d'Azur (UCA)-Centre National de la Recherche Scientifique (CNRS), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Nice Sophia Antipolis (1965 - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and Fayon, Franck

Subjects
Guided bone regeneration, Bone Regeneration, Carbonates, Biomedical Engineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, behavioral disciplines and activities, Biomimetic carbonated calcium-deficient hydroxyapatite, Biomaterials, Carbon Fiber, Osteogenesis, Animals, Activated carbon fiber cloth, [SDV.IB.BIO]Life Sciences [q-bio]/Bioengineering/Biomaterials, Bone healing, [CHIM.MATE] Chemical Sciences/Material chemistry, Tissue Scaffolds, X-Ray Microtomography, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Rats, 0104 chemical sciences, [SDV.IB.BIO] Life Sciences [q-bio]/Bioengineering/Biomaterials, stomatognathic diseases, Durapatite, nervous system, Charcoal, Patches, Calcium, 0210 nano-technology, human activities, psychological phenomena and processes
Abstract

International audience; We have previously shown that activated carbon fiber cloth (ACC) either uncoated or coated with carbonated calcium-deficient hydroxyapatite (CDA), namely ACC and ACC/CDA, were biocompatible in vitro with human osteoblasts. Here we hypothesized that ACC and ACC/CDA could be used as tissue patches in vivo to accelerate wounded bone healing. In a model of rat femoral defect, we have compared spontaneous cortical bone regeneration with regeneration in the presence of ACC and ACC/CDA patches. At day 7, 14 and 21, bone formation was evaluated using micro computed tomography (µCT), magnetic resonance imaging (MRI) and histological analysis. Our results demonstrate first that these ACC tissues are highly biocompatible in vivo, and second that ACC/CDA patches apposition results in the acceleration of bone reconstruction due to a guiding action of the ACC fibers and an osteogenic effect of the CDA phase. We guess that this approach may represent a valuable strategy to accelerate bone regeneration in human.

Published
2021

41. Dissipation-driven selection of states in non-equilibrium chemical networks

Author

Paolo De Los Rios, Daniel Maria Busiello, Shiling Liang, Francesco Piazza, Ecole Polytechnique Fédérale de Lausanne (EPFL), Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Frapart, Isabelle

Subjects
Physics, 0303 health sciences, [SDV]Life Sciences [q-bio], Non-equilibrium thermodynamics, 02 engineering and technology, General Chemistry, Dissipation, 021001 nanoscience & nanotechnology, Biochemistry, Chemical reaction, [SDV] Life Sciences [q-bio], Chemistry, 03 medical and health sciences, Temperature gradient, Thermal, Materials Chemistry, State of matter, Environmental Chemistry, State space, Statistical physics, Nonequilibrium thermodynamics, complex chemical networks, 0210 nano-technology, Energy source, QD1-999, 030304 developmental biology
Abstract

Life has most likely originated as a consequence of processes taking place in non-equilibrium conditions (e.g. in the proximity of deep-sea thermal vents) selecting states of matter that would have been otherwise unfavorable at equilibrium. Here we present a simple chemical network in which the selection of states is driven by the thermodynamic necessity of dissipating heat as rapidly as possible in the presence of a thermal gradient: states participating to faster reactions contribute the most to the dissipation rate, and are the most populated ones in non-equilibrium steady-state conditions. Building upon these results, we show that, as the complexity of the chemical network increases, the velocity of the reaction path leading to a given state determines its selection, giving rise to non-trivial localization phenomena in state space. A byproduct of our studies is that, in the presence of a temperature gradient, thermophoresis-like behavior inevitably appears depending on the transport properties of each individual state, thus hinting at a possible microscopic explanation of this intriguing yet still not fully understood phenomenon. Recent works have highlighted the role of energy sources in driving nonequilibrium behaviours in chemical reaction networks. Here, the authors theoretically describe linear reaction networks with thermal gradients to highlight the basic rules governing most favourable states, relating them to kinetic and dissipation rates.

Published
2021

42. Experimental Measurements of CO 2 Solubility in Aqueous MgCl 2 Solution at Temperature between 323.15 and 423.15 K and Pressure up to 20 MPa

Author

Pedro F. dos Santos, Laurent André, Marion Ducousso, François Contamine, Pierre Cézac, LABORATOIRE DE THERMIQUE ENERGETIQUE ET PROCEDES (EA1932) (LATEP), Université de Pau et des Pays de l'Adour (UPPA), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Milieux Poreux - UMR7327, and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers en région Centre (OSUC)

Subjects
Anions, Inorganic carbon compounds, General Chemical Engineering, 02 engineering and technology, General Chemistry, 010502 geochemistry & geophysics, 01 natural sciences, Titration, 020401 chemical engineering, Solubility, [SDU]Sciences of the Universe [physics], 0204 chemical engineering, Solution chemistry, 0105 earth and related environmental sciences
Abstract

International audience; Experimental CO2 solubility data in brine at high temperatures and pressures are important for CO2 capture and storage (CCS) applications. Many data have been acquired in single-salt aqueous solutions such as NaCl, CaCl2, and Na2SO4. CO2 solubility data in aqueous solutions containing MgCl2 are extremely scarce. In this work, new experimental data of CO2 solubility in MgCl2 solutions were acquired. Thirty-three experimental points of CO2 solubility have been reported in an original range of pressure (1.5 to 20 MPa), temperature (323.15, 373.15, and 423.15 K), and salinity (1, 3, and 5 mol/kg). Measurements were made using the potentiometric titration method. Results show that the CO2 solubility increases with the evolution of pressure and decreases with the evolution of MgCl2 concentrations. A discussion about the salting-out effect on MgCl2 solutions is made, and a comparison is proposed on the same effect in aqueous systems containing calcium chloride.

Published
2021

43. Rapid solidification synthesis of novel (La,Y)2(Zr,Ti)2O7 pyrochlore-based glass-ceramics for the immobilization of high-level wastes

Author

Hong Sun, Ying Zhang, Emmanuel Véron, Yongchang Guo, Jianqiang Li, Shaowei Feng, Cécile Genevois, Mathieu Allix, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), and Université d'Orléans (UO)

Subjects
Materials science, Pyrochlore, Sintering, 02 engineering and technology, engineering.material, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 01 natural sciences, law.invention, law, Phase (matter), 0103 physical sciences, Materials Chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, Thermal stability, Ceramic, Crystallization, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, Borosilicate glass, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Amorphous solid, Chemical engineering, visual_art, Ceramics and Composites, engineering, visual_art.visual_art_medium, 0210 nano-technology
Abstract

Pyrochlore-based glass-ceramics are attracting attention as a promising host material for immobilizing minor actinide in high-level wastes. However, the loading capacity of pyrochlore-based materials for actinide elements is to be improved, and only conventional synthetic approaches of powder sintering and glassy bulk crystallization were reported. Here, new (La,Y)2(Zr,Ti)2O7 pyrochlore-based glass-ceramics were subtly designed and successfully prepared through a rapid melting and solidification process. The solidification behavior of samples with different cooling rates was investigated, the dense and crack-free (La,Y)2(Zr,Ti)2O7 pyrochlore-based glass-ceramics were prepared at the cooling rate of 500 °C/s (within 1.5 s). The present amorphous La2O3-TiO2-Al2O3 phase demonstrates the outstanding thermal stability compared with the currently used borosilicate glass for high-level waste immobilization due to the lack of conventional glass-forming components. The results show the great feasibility of this novel synthesis route for glass-ceramics by direct solidification and its good potential for immobilizing high-level wastes.

Published
2021

44. miRNA Delivery by Nanosystems: State of the Art and Perspectives

Author

Didier Letourneur, Chantal Pichon, Fernanda C. Moraes, Frédéric Chaubet, Laboratoire de Recherche Vasculaire Translationnelle (LVTS (UMR_S_1148 / U1148)), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Paris (UP)-Université Sorbonne Paris Nord, Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Frapart, Isabelle, Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Paris Cité (UPCité)-Université Sorbonne Paris Nord, and Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
0303 health sciences, Pharmaceutical Science, RNA, miRNA delivery, Clinical settings, 02 engineering and technology, Computational biology, Review, Biology, [SDV.SP.PG] Life Sciences [q-bio]/Pharmaceutical sciences/Galenic pharmacology, 021001 nanoscience & nanotechnology, 3. Good health, RS1-441, 03 medical and health sciences, [SDV.SP.PG]Life Sciences [q-bio]/Pharmaceutical sciences/Galenic pharmacology, Pharmacy and materia medica, RNA interference, non-viral vectors, microRNA, Gene expression, nanoparticles, 0210 nano-technology, 030304 developmental biology
Abstract

International audience; MicroRNAs (miRNAs) are short (~21–23 nucleotides), non-coding endogenous RNA molecules that modulate gene expression at the post-transcriptional level via the endogenous RNA interference machinery of the cell. They have emerged as potential biopharmaceuticals candidates for the treatment of various diseases, including cancer, cardiovascular and metabolic diseases. However, in order to advance miRNAs therapeutics into clinical settings, their delivery remains a major challenge. Different types of vectors have been investigated to allow the delivery of miRNA in the diseased tissue. In particular, non-viral delivery systems have shown important advantages such as versatility, low cost, easy fabrication and low immunogenicity. Here, we present a general overview of the main types of non-viral vectors developed for miRNA delivery, with their advantages, limitations and future perspectives.

Published
2021

45. Modified Red Muds and Slag Based Hydraulic Binders for Zn Removal: A Matrix-Spiking Approach Applied on Clayey Sediments

Author

Mahfoud Benzerzour, Claude Le Milbeau, Walid Maherzi, Nor-Edine Abriak, Adoum Mahamat Ahmat, Laboratoire de Génie Civil et Géo-Environnement (LGCgE) - ULR 4515 (LGCgE), Université d'Artois (UA)-Université de Lille-Ecole nationale supérieure Mines-Télécom Lille Douai (IMT Lille Douai), Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)-JUNIA (JUNIA), Université catholique de Lille (UCL)-Université catholique de Lille (UCL), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Biogéosystèmes Continentaux - UMR7327, and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC)

Subjects
Environmental remediation, 0211 other engineering and technologies, red muds, 02 engineering and technology, 010501 environmental sciences, precipitation, 01 natural sciences, Dredging, Adsorption, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, 0105 earth and related environmental sciences, Pollutant, 021110 strategic, defence & security studies, Chemistry, removal, hydraulic binders, zinc, Sediment, Slag, Geology, Mineralogy, Geotechnical Engineering and Engineering Geology, 6. Clean water, Red mud, sediment, 13. Climate action, adsorption, [SDU]Sciences of the Universe [physics], visual_art, Environmental chemistry, visual_art.visual_art_medium, Sedimentary rock, QE351-399.2
Abstract

International audience; Dredging sediments can be implemented as primary resources in several civil engineering applications, on the condition that the release of anthropogenic compounds meets environmental requirements. The remediation of sedimentary wastes constitutes therefore, a key step before valorization consideration in circular economy schemes. This study focused on Zn removal from clayey river sediments dredged in northern France (Lille, Saint-Omer and Aire-Sur-La Lys) using a Thermo-Evolved Red Mud (TERM) and a Slag Based Hydraulic Binder (SBHB). The first step consisted in investigating Zn-trapping mechanisms prior to TERM and SBHB application as Zn-stabilizers. Results underlined poorer metal retention within the most organic sediment (high fatty acids and polycyclic aromatic molecules concentrations), emphasizing the minor role of the organic fraction typology during Zn-trapping. The pollutant displayed its best binding yields within the sediment with the highest interstitial pH and specific areas, which stressed out the preponderant influence of alkalinization ability and particles size distribution. In a second step, the spiked sediments were treated with TERM and SBHB, which resulted in a substantial lowering of Zn release at 12% of stabilizer/sediment ratio. Even though the organic content role was not preeminent during the pollutant trapping, it appeared here influential as delays in removal efficiencies were observed for the most endowed sediment. Two preferential geochemical pathways were adopted during the remediation operations with significant promotive roles of basic background pH. Indeed, Zn removal with TERM consisted mainly in sorptive mechanisms involving exchanges with Ca and Mg ions, whereas binding onto SBHB was principally achieved through precipitation phenomena.

Published
2021

46. On the optimal number estimation of selected features using joint histogram based mutual information for speech emotion recognition

Author

Philippe Ravier, Abdenour Hacine-Gharbi, Laboratoire pluridisciplinaire de recherche en ingénierie des systèmes, mécanique et énergétique (PRISME), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), IRAuS/Signal, Laboratoire Pluridisciplinaire de Recherche en Ingénierie des Systèmes, Mécanique et Energétique (PRISME), and Université d'Orléans (UO)-Ecole Nationale Supérieure d'Ingénieurs de Bourges (ENSI Bourges)-Université d'Orléans (UO)-Ecole Nationale Supérieure d'Ingénieurs de Bourges (ENSI Bourges)

Subjects
General Computer Science, Speech emotion recognition, Computer science, Binning of joint histogram, Computation, Feature selection, 02 engineering and technology, Features selection, Histogram, MFCC coefficients, 0202 electrical engineering, electronic engineering, information engineering, Emotion recognition, ComputingMilieux_MISCELLANEOUS, business.industry, 020206 networking & telecommunications, Pattern recognition, Mutual information, QA75.5-76.95, GMM models, Electronic computers. Computer science, 020201 artificial intelligence & image processing, Artificial intelligence, business, Classifier (UML), [SPI.SIGNAL]Engineering Sciences [physics]/Signal and Image processing
Abstract

Mutual information (MI) has been previously used to select the relevant features for the task of speech emotion recognition (SER). However, the procedure does not deliver the optimal number of relevant features. We propose MI based criterion for estimating this number defined as the minimum number of features that explains the variable of the class indices. In order to minimize the MI estimation errors, we also search the best histogram binning choice considering three formulas: Sturges, Scott and LMSE. Four selection strategies MMI, CMI, JMI and TMI have been implemented and applied on 39-features vectors and on large dimension vectors. The feature selection results have been validated on independent text SER system, based on GMM classifier and evaluated on EMO-db database. Results demonstrate that LMSE bin choice gives the best MI estimation and ensures a minimal number of features with slight performance drop. Particularly, using the proposed stopping criterion, the CMI strategy achieves reduction of 48.72% in the case of the 39-features vectors size and 67.86% in the case of large dimension vectors. Moreover, using the recognition rate criterion, the JMI strategy gives a comparable feature reduction with slight improvement of performance but requiring very high computation capabilities.

Published
2021

47. An improved model for CO2 solubility in aqueous Na+–Cl−–SO42− systems up to 473.15 K and 40 MPa

Author

Marc Parmentier, Adeline Lach, Arnault Lassin, Pedro F. dos Santos, Marion Ducousso, Laurent André, Pierre Cézac, François Contamine, LABORATOIRE DE THERMIQUE ENERGETIQUE ET PROCEDES (EA1932) (LATEP), Université de Pau et des Pays de l'Adour (UPPA), Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Milieux Poreux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), and Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)

Subjects
Activity coefficient, Equation of state, Work (thermodynamics), Aqueous solution, Thermodynamics, Geology, 02 engineering and technology, Electrolyte, 010402 general chemistry, 01 natural sciences, 6. Clean water, 0104 chemical sciences, 020401 chemical engineering, Geochemistry and Petrology, Ionic strength, [SDU]Sciences of the Universe [physics], Fugacity, 0204 chemical engineering, Solubility, Thermodynamic modeling, CO2 solubility, Pitzer interaction parameters - activity coefficient
Abstract

International audience; This article contributes to the development of a thermodynamic model for simulating CO2 solubility in pure water and aqueous brines under different conditions of temperature, pressure and ionic strength. The modeling activity-fugacity (γ-φ) approach allows calculating CO2 solubility, based on the Pitzer electrolyte theory for activity coefficient and Peng-Robinson's equation of state for fugacity. The present work proposes a new set of Pitzer interaction parameters through the set of CO2 solubility data in saline systems such as CO2-H2O-NaCl and CO2-H2O-Na2SO4. The determined model is capable of covering a wide T − P − I range (273.15–473.15 K, 0.1–40 MPa and 0–6 mol/kg). Average absolute deviation of CO2 solubility is about 5% compared to a large number of experimental data available (more than 700 data analyzed). New experimental solubility data for the CO2-H2O-NaCl-Na2SO4 system were also acquired in this study (303.15–423.15 K, 1.5–20 MPa and 0–6 mol/kg) to test the model's capacity: it is able to describe the CO2 solubility in aqueous salt mixtures without any further optimizations of interaction parameters.

Published
2021

48. Glass forming regions, structure and properties of lanthanum barium germanate and gallate glasses

Author

Marc Dussauze, Véronique Jubera, Florian Calzavara, Thierry Cardinal, Marcelo Nalin, Evelyne Fargin, Mathieu Allix, Université de Bordeaux, 1 Avenue de la Recherche Scientifique, 351 cours de la Libération, Universidade Estadual Paulista (UNESP), Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB), Université de Bordeaux (UB)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Chemistry [University of São Paulo] | Instituto de Química [Universidade de São Paulo], University of São Paulo (USP), This research was supported by Agence Nationale de la Recherche (ANR) (ANR-18-CE08-0004-02) and the New Aquitaine Region. This project has received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No 823941 (FUNGLASS), as well as grants of the Agence Nationale de la Recherche (ANR) with the program 'Investissement d'avenir' number ANR-10-IDEX-03-02. M. Nalin acknowledge the São Paulo Research Foundation, FAPESP (grant numbers 2013/07793-6 and 2019/01223-0). The authors acknowledge the platform SIV for vibrational spectroscopy characterizations., ANR-10-IDEX-0003,IDEX BORDEAUX,Initiative d'excellence de l'Université de Bordeaux(2010), ANR-18-CE08-0004,FLAG-IR,Fabrication 3D de composants optiques intégrés à bas cout par laser femtoseconde pour des applications IR(2018), European Project: 664440,H2020,H2020-WIDESPREAD-2014-1,FunGLASS(2015), Institute of Chemistry, University of São Paulo, Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Universidade de São Paulo = University of São Paulo (USP)

Subjects
Materials science, Vibrational Infrared and Raman spectroscopies, Germano-gallate glasses, chemistry.chemical_element, Germanium, 02 engineering and technology, 01 natural sciences, Aerodynamic levitation, 010309 optics, Glass structure, symbols.namesake, 0103 physical sciences, Materials Chemistry, Lanthanum, Germanate, Gallium, Aerodynamic levitation coupled to laser heating, Barium, Gallate, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, chemistry, Heavy-metal oxide glasses, Ceramics and Composites, symbols, Physical chemistry, 0210 nano-technology, Raman spectroscopy
Abstract

Made available in DSpace on 2022-04-28T19:41:41Z (GMT). No. of bitstreams: 0 Previous issue date: 2021-11-01 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Horizon 2020 Framework Programme Agence Nationale de la Recherche Glass forming regions in the system GaO3/2 – GeO2 – LaO3/2 – BaO have been explored using aerodynamic levitation coupled to laser heating synthesis technique. Structure property relationships have been established between the thermal and optical properties of the resulting glass thanks to Raman and Infrared vibrational spectroscopies. The germano-gallate glass networks are mainly made of three-dimensional interconnected corner shared GeO4 and GaO4 tetrahedra forming Ge – O – Ge and Ga – O− – Ge bridges in which gallium tetrahedral GaO4 units are charged-compensated by barium and lanthanum cations. In GeO2-rich compositions, the excess of positive charges produces mainly non-bridging oxygens on germanate moieties, leading to a depolymerization of the glass network. In the case of gallium rich compositions, the infrared cut-off is red-shifted as compared to the germanate glasses, in accordance with the disappearance of germanium associated entities such as germanium and gallium bridges or germanium sites with non-bridging oxygen both vibrating at higher wavenumber. Institut de Chimie de la Matière Condensée de Bordeaux Université de Bordeaux, 87 Avenue du Dr Schweitzer Conditions Extrêmes et Matériaux Haute Température et Irradiation UPR3079 Université d'Orléans 1 Avenue de la Recherche Scientifique Institut des Sciences Moléculaires UMR 5255 Université́ de Bordeaux 351 cours de la Libération Institute of Chemistry São Paulo State University-UNESP Rua Prof. Francisco Degni, 55, CEP 14800-060 Institute of Chemistry São Paulo State University-UNESP Rua Prof. Francisco Degni, 55, CEP 14800-060 FAPESP: 2013/07793-6 FAPESP: 2019/01223-0 Horizon 2020 Framework Programme: 823941 Agence Nationale de la Recherche: ANR-10-IDEX-03-02 Agence Nationale de la Recherche: ANR-18-CE08-0004-02

Published
2021

49. Geometrical Analysis of the Frame Pillars of the Cathedral of Orleans Resulting from 3D Survey

Author

Laurent Josserand, Xavier Brunetaud, Génie Civil (GC), Laboratoire de Mécanique Gabriel Lamé (LaMé), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)-Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université de Tours (UT)

Subjects
Laser scanning, Geometric analysis, Horizontal and vertical, Replica, 010401 analytical chemistry, Frame (networking), 0211 other engineering and technologies, 02 engineering and technology, 01 natural sciences, 0104 chemical sciences, [SPI.GCIV]Engineering Sciences [physics]/Civil Engineering, Basement (geology), Architectural plan, Geology, Seismology, ComputingMilieux_MISCELLANEOUS, 021101 geological & geomatics engineering
Abstract

A collaborative study concerning the cathedral of Orleans in France is in progress. This study involves historical and archeological aspects as well as a global 3D survey. Yet, about 400 laser scanning stations were performed to progressively build the digital replica of the cathedral. After scanning registration, architectural plans (vertical and horizontal) of the gothic cathedral and its roman remains, including basement, were extracted.

Published
2021

50. Permanganate oxidation of polycyclic aromatic compounds (PAHs and polar PACs): column experiments with DNAPL at residual saturation

Author

Coralie Biache, Philippe Bataillard, Clotilde Johansson, Catherine Lorgeoux, Christian Défarge, Pierre Faure, Stéfan Colombano, Antoine Joubert, Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), GeoRessources, Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre de recherches sur la géologie des matières premières minérales et énergétiques (CREGU)-Institut national des sciences de l'Univers (INSU - CNRS), Serpol (Serpol), SERPOL, Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO), Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS), Cellule d'Expertise et de Transfert en TRaçages Appliqués à l'Hydrogéologie et à l'Environnement (CETRAHE), Université d'Orléans (UO), Biogéosystèmes Continentaux - UMR7327, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC), French Environmental Agency (ADEME), French National Association for Research and Technology (ANRT), BRGM/DEPA division, PIVOTS project by the Centre-Val de Loire region (ARD 2020 program and CPER 2015-2020), and French Ministry of Higher Education and Research (CPER 20152020 and public service subsidy to BRGM)

Subjects
Pollution, Health, Toxicology and Mutagenesis, media_common.quotation_subject, 0207 environmental engineering, 02 engineering and technology, 010501 environmental sciences, 01 natural sciences, complex mixtures, chemistry.chemical_compound, TRACER, medicine, Environmental Chemistry, Polycyclic Compounds, Coal tar, Leaching (agriculture), Polycyclic Aromatic Hydrocarbons, 020701 environmental engineering, [SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces, environment, 0105 earth and related environmental sciences, media_common, Pollutant, Permanganate, Oxides, General Medicine, 6. Clean water, Potassium permanganate, chemistry, Manganese Compounds, 13. Climate action, Environmental chemistry, Oxidation-Reduction, Groundwater, Water Pollutants, Chemical, medicine.drug
Abstract

International audience; Permanganate is an oxidant usually applied for in situ soil remediation due to its persistence underground. It has already shown great efficiency for dense nonaqueous phase liquid (DNAPL) degradation under batch experiment conditions. In the present study, experimental permanganate oxidation of a DNAPL — coal tar — sampled in the groundwater of a former coking plant was carried out in a glass bead column. Several glass bead columns were spiked with coal tar using the drainage-imbibition method to mimic on-site pollution spread at residual saturation as best as possible. The leaching of organic pollutants was monitored as the columns were flushed by successive sequences: successive injections of hot water, permanganate solution for oxidation, and ambient temperature water, completed by two injections of a tracer before and after oxidation. Sixteen conventional US-EPA PAHs and selected polar PACs were analyzed in the DNAPL remaining in the columns at the end of the experiment and in the particles collected at several steps of the flushing sequences. Permanganate oxidation of the pollutants was rapidly limited by interfacial aging of the DNAPL drops. Moreover, at the applied flow rate chosen to be representative of in situ injections and groundwater velocities, the reaction time was not sufficient to reach high degradation yields but induced the formation and the leaching of oxygenated PACs

Published
2021

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