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46 results on '"Hugouvieux, Virginie"'

1. Structure and elasticity of model disordered, polydisperse and defect-free polymer networks

Author

Sorichetti, Valerio, Ninarello, Andrea, Ruiz-Franco, José, Hugouvieux, Virginie, Zaccarelli, Emanuela, Micheletti, Cristian, Kob, Walter, and Rovigatti, Lorenzo

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science
Abstract

The elasticity of disordered and polydisperse polymer networks is a fundamental problem of soft matter physics that is still open. Here, we self-assemble polymer networks via simulations of a mixture of bivalent and tri- or tetravalent patchy particles, which result in an exponential strand length distribution analogous to that of experimental randomly crosslinked systems. After assembly, the network connectivity and topology are frozen and the resulting system is characterized. We find that the fractal structure of the network depends on the number density at which the assembly has been carried out, but that systems with the same mean valence and same assembly density have the same structural properties. Moreover, we compute the long-time limit of the mean-squared displacement, also known as the (squared) localization length, of the crosslinks and of the middle monomers of the strands, showing that the dynamics of long strands is well described by the tube model. Finally, we find a relation connecting these two localization lengths at high density, and connect the crosslink localization length to the shear modulus of the system., Comment: 37 pages, 12 figures; fixed equation at pag. 24 and typos

Published
2022
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2. Dynamics of nanoparticles in polydisperse polymer networks: From free diffusion to hopping

Author

Sorichetti, Valerio, Hugouvieux, Virginie, and Kob, Walter

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science
Abstract

Using molecular dynamics simulations we study the static and dynamic properties of spherical nanoparticles (NPs) embedded in a disordered and polydisperse polymer network. Purely repulsive (RNP) as well as weakly attractive (ANP) polymer-NP interactions are considered. It is found that for both types of particles the NP dynamics at intermediate and at long times is controlled by the confinement parameter $C=\sigma_N/\lambda$, where $\sigma_N$ is the NP diameter and $\lambda$ is the dynamic localization length of the crosslinks. Three dynamical regimes are identified: i) For weak confinement ($C \lesssim 1$) the NPs can freely diffuse through the mesh; ii) For strong confinement ($C \gtrsim 1$) NPs proceed by means of activated hopping; iii) For extreme confinement ($C \gtrsim 3$) the mean squared displacement shows on intermediate time scales a quasi-plateau since the NPs are trapped by the mesh for very long times. Escaping from this local cage is a process that depends strongly on the local environment, thus giving rise to an extremely heterogeneous relaxation dynamics. The simulation data are compared with the two main theories for the diffusion process of NPs in gels. Both theories give a very good description of the $C-$dependence of the NP diffusion constant, but fail to reproduce the heterogeneous dynamics at intermediate time scales., Comment: 62 pages, 24 figures

Published
2021
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3. The effect of chain polydispersity on the elasticity of disordered polymer networks

Author

Sorichetti, Valerio, Ninarello, Andrea, Ruiz-Franco, José M., Hugouvieux, Virginie, Kob, Walter, Zaccarelli, Emanuela, and Rovigatti, Lorenzo

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Statistical Mechanics
Abstract

Due to their unique structural and mechanical properties, randomly-crosslinked polymer networks play an important role in many different fields, ranging from cellular biology to industrial processes. In order to elucidate how these properties are controlled by the physical details of the network (\textit{e.g.} chain-length and end-to-end distributions), we generate disordered phantom networks with different crosslinker concentrations $C$ and initial density $\rho_{\rm init}$ and evaluate their elastic properties. We find that the shear modulus computed at the same strand concentration for networks with the same $C$, which determines the number of chains and the chain-length distribution, depends strongly on the preparation protocol of the network, here controlled by $\rho_{\rm init}$. We rationalise this dependence by employing a generic stress-strain relation for polymer networks that does not rely on the specific form of the polymer end-to-end distance distribution. We find that the shear modulus of the networks is a non-monotonic function of the density of elastically-active strands, and that this behaviour has a purely entropic origin. Our results show that if short chains are abundant, as it is always the case for randomly-crosslinked polymer networks, the knowledge of the exact chain conformation distribution is essential for predicting correctly the elastic properties. Finally, we apply our theoretical approach to published experimental data, qualitatively confirming our interpretations., Comment: SM appended after the list of references

Published
2021
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4. Characterizing the mesh size of polymer solutions via the pore size distribution

Author

Sorichetti, Valerio, Hugouvieux, Virginie, and Kob, Walter

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science
Abstract

In order to characterize the geometrical mesh size $\xi$, we simulate a solution of coarse-grained polymers with densities ranging from the dilute to the concentrated regime and for different chain lengths. Conventional ways to estimate $\xi$ rely either on scaling assumptions which give $\xi$ only up to an unknown multiplicative factor, or on measurements of the monomer density fluctuation correlation length $\xi_c$. We determine $\xi_c$ from the monomer structure factor and from the radial distribution function, and find that the identification $\xi=\xi_c$ is not justified outside of the semidilute regime. In order to better characterize $\xi$, we compute the pore size distribution (PSD) following two different definitions, one by Torquato et al. (Ref.1) and one by Gubbins et al. (Ref.2). We show that the mean values of the two distributions, $\langle r \rangle_T$ and $\langle r \rangle_G$, both display the behavior predicted for $\xi$ by scaling theory, and argue that $\xi$ can be identified with either one of these quantities. This identification allows to interpret the PSD as the distribution of mesh sizes, a quantity which conventional methods cannot access. Finally, we show that it is possible to map a polymer solution on a system of hard or overlapping spheres, for which Torquato's PSD can be computed analytically and reproduces accurately the PSD of the solution. We give an expression that allows $\langle r \rangle_T$ to be estimated with great accuracy in the semidilute regime by knowing only the radius of gyration and the density of the polymers.

Published
2019
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5. Addition to Structure and dynamics of a polymer-nanoparticle composite: Effect of nanoparticle size and volume fraction

Author

Sorichetti, Valerio, Hugouvieux, Virginie, and Kob, Walter

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science
Abstract

In our previous publication (Ref. 1) we have shown that the data for the normalized diffusion coefficient of the polymers, $D_p/D_{p0}$, falls on a master curve when plotted as a function of $h/\lambda_d$, where $h$ is the mean interparticle distance and $\lambda_d$ is a dynamic length scale. In the present note we show that also the normalized diffusion coefficient of the nanoparticles, $D_N/D_{N0}$, collapses on a master curve when plotted as a function of $h/R_h$, where $R_h$ is the hydrodynamic radius of the nanoparticles., Comment: Addition to arXiv:1804.06993, 2 pages, 2 figures

Published
2019
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6. Structure and dynamics of a polymer-nanoparticle composite: Effect of nanoparticle size and volume fraction

Author

Sorichetti, Valerio, Hugouvieux, Virginie, and Kob, Walter

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Materials Science
Abstract

We use molecular dynamics simulations to study a semidilute, unentangled polymer solution containing well dispersed, weakly attractive nanoparticles (NP) of size ($\sigma_N$) smaller than the polymer radius of gyration $R_g$. We find that if $\sigma_N$ is larger than the monomer size the polymers swell, while smaller NPs cause chain contraction. The diffusion coefficient of polymer chains ($D_p$) and NPs ($D_N$) decreases if the volume fraction $\phi_N$ is increased. The decrease of $D_p$ can be well described in terms of a confinement parameter, while $D_N$ shows a more complex dependence on $\sigma_N$, which results from an interplay between energetic and entropic effects. When $\phi_N$ exceeds a $\sigma_N$-dependent value, the NPs are no longer well dispersed and $D_N$ and $D_p$ increase if $\phi_N$ is increased.

Published
2018
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7. Structuring polymer gels via catalytic reactions

Author

Hugouvieux, Virginie and Kob, Walter

Subjects
Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics
Abstract

We use computer simulations to investigate how a catalytic reaction in a polymer sol can induce the formation of a polymer gel. To this aim we consider a solution of homopolymers in which freely-diffusing catalysts convert the originally repulsive A monomers into attractive B ones. We find that at low temperatures this reaction transforms the polymer solution into a physical gel that has a remarkably regular mesostructure in the form of a cluster phase, absent in the usual homopolymer gels obtained by a quench in temperature. We investigate how this microstructuring depends on catalyst concentration, temperature, and polymer density and show that the dynamics for its formation can be understood in a semi-quantitative manner using the interaction potentials between the particles as input. The structuring of the copolymers and the AB sequences resulting from the reactions can be discussed in the context of the phase behaviour of correlated random copolymers. The location of the spinodal line as found in our simulations is consistent with analytical predictions. Finally, we show that the observed structuring depends not only on the chemical distribution of the A and B monomers but also on the mode of formation of this distribution.

Published
2016
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8. Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks.

Author

Sorichetti, Valerio, Ninarello, Andrea, Ruiz-Franco, José, Hugouvieux, Virginie, Zaccarelli, Emanuela, Micheletti, Cristian, Kob, Walter, and Rovigatti, Lorenzo

Subjects
POLYMER networks, POLYDISPERSE polymers, ELASTICITY, MODULUS of rigidity, PHYSICS, MONOMERS
Abstract

The elasticity of disordered and polydisperse polymer networks is a fundamental problem of soft matter physics that is still open. Here, we self-assemble polymer networks via simulations of a mixture of bivalent and tri- or tetravalent patchy particles, which result in an exponential strand length distribution analogous to that of experimental randomly cross-linked systems. After assembly, the network connectivity and topology are frozen and the resulting system is characterized. We find that the fractal structure of the network depends on the number density at which the assembly has been carried out, but that systems with the same mean valence and same assembly density have the same structural properties. Moreover, we compute the long-time limit of the mean-squared displacement, also known as the (squared) localization length, of the cross-links and of the middle monomers of the strands, showing that the dynamics of long strands is well described by the tube model. Finally, we find a relation connecting these two localization lengths at high density and connect the cross-link localization length to the shear modulus of the system. [ABSTRACT FROM AUTHOR]

Published
2023
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9. Micelle formation, gelation and phase separation of amphiphilic multiblock copolymers

Author

Hugouvieux, Virginie, Axelos, Monique A. V., and Kolb, Max

Subjects
Condensed Matter - Soft Condensed Matter
Abstract

The phase behaviour of amphiphilic multiblock copolymers with a large number of blocks in semidilute solutions is studied by lattice Monte Carlo simulations. The influence on the resulting structures of the concentration, the solvent quality and the ratio of hydrophobic to hydrophilic monomers in the chains has been assessed explicitely. Several distinct regimes are put in evidence. For poorly substituted (mainly hydrophilic) copolymers formation of micelles is observed, either isolated or connected by the hydrophilic moieties, depending on concentration and chain length. For more highly substituted chains larger tubular hydrophobic structures appear which, at higher concentration, join to form extended hydrophobic cores. For both substitution ratios gelation is observed, but with a very different gel network structure. For the poorly substituted chains the gel consists of micelles cross-linked by hydrophilic blocks whereas for the highly substituted copolymers the extended hydrophobic cores form the gelling network. The interplay between gelation and phase separation clearly appears in the phase diagram. In particular, for poorly substituted copolymers and in a narrow concentration range, we observe a sol-gel transition followed by an inverse gel-sol transition when increasing the interaction energy. The simulation results are discussed in the context of the experimentally observed phase properties of methylcellulose, a hydrophobically substituted polysaccharide., Comment: 14 pages, 14 figures; Soft Matter (2011)

Published
2011
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10. Structure and dynamics of l-Ge: Neutron scattering experiments and ab initio molecular dynamics simulations

Author

Hugouvieux, Virginie, Farhi, Emmanuel, Johnson, Mark R., Juranyi, Fanni, Bourges, Philippe, and Kob, Walter

Subjects
Condensed Matter - Disordered Systems and Neural Networks
Abstract

We report the first measurements of the dynamics of liquid germanium (l-Ge) by quasi-elastic neutron scattering on time-of-flight and triple-axis spectrometers. These results are compared with simulation data of the structure and dynamics of l-Ge which have been obtained with ab initio density functional theory methods. The simulations accurately reproduce previous results from elastic and inelastic scattering experiments, as well as the q-dependence of the width of the quasi-elastic signal of the new experimental data. In order to understand some special features of the structure of the liquid we have also simulated amorphous Ge. Overall we find that the atomistic model represents accurately the average structure of real l-Ge as well as the time dependent structural fluctuations. The new quasi-elastic neutron scattering data allows us to investigate to what extent simple theoretical models can be used to describe diffusion in l-Ge., Comment: 11 pages, 14 figures

Published
2007
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11. Polymers gels formed via catalytic reactions: Structure and mechanics

Author

Hugouvieux, Virginie, KOB, Walter, Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire Charles Coulomb (L2C), and Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021

13. Enzymes to unravel bioproducts architecture

Author

Bourlieu, Claire, Astruc, Thierry, Barbe, Sophie, Berrin, Jean-Guy, Bonnin, Estelle, Boutrou, Rachel, Hugouvieux, Virginie, Le Feunteun, Steven, Paës, Gabriel, Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Université de Montpellier (UM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut Agro - Montpellier SupAgro, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Qualité des Produits Animaux (QuaPA), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Toulouse Biotechnology Institute (TBI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Biodiversité et Biotechnologie Fongiques (BBF), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Science et Technologie du Lait et de l'Oeuf (STLO), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-INSTITUT AGRO Agrocampus Ouest, Fractionnement des AgroRessources et Environnement (FARE), Université de Reims Champagne-Ardenne (URCA)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), and AGROCAMPUS OUEST

Subjects
Diffusion, Interaction, Enzyme, Biostructure, [SDV.BC]Life Sciences [q-bio]/Cellular Biology, Bioproduct, Probe
Abstract

International audience; Enzymes are essential and ubiquitous biocatalysts involved in various metabolic pathways and used in manyindustrial processes. Here, we reframe enzymes not just as biocatalysts transforming bioproducts but also assensitive probes for exploring the structure and composition of complex bioproducts, like meat tissue, dairyproducts and plant materials, in both food and non-food bioprocesses. This review details the global strategy andpresents the most recent investigations to prepare and use enzymes as relevant probes, with a focus on glycosidehydrolases involved in plant deconstruction and proteases and lipases involved in food digestion. First, to expandthe enzyme repertoire to fit bioproduct complexity, novel enzymes are mined from biodiversity and can beartificially engineered. Enzymes are further characterized by exploring sequence/structure/dynamics/functionrelationships together with the environmental factors influencing enzyme interactions with their substrates.Then, the most advanced experimental and theoretical approaches developed for exploring bioproducts atvarious scales (from nanometer to millimeter) using active and inactive enzymes as probes are illustrated.Overall, combining multimodal and multiscale approaches brings a better understanding of native-form ortransformed bioproduct architecture and composition, and paves the way to mainstream the use of enzymes asprobes

Published
2020
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16. Computer simulations of gels and polymer-nanocomposites

Author

SORICHETTI, Valerio, Hugouvieux, Virginie, KOB, Walter, Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Laboratoire Charles Coulomb (L2C), and Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2019

17. Simulating Gels and Nanocomposites, May 8-10, 2019, Schluchsee, Germany

Author

KOB, Walter, SORICHETTI, Valerio, Hugouvieux, Virginie, Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Sciences Pour l'Oenologie (SPO), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2019

18. Structure and Dynamics of Polymer Composites and Gels: A Simulation Perspective

Author

Hugouvieux, Virginie, Sorichetti, Valerio, Kob, Walter, Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)-Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), and Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)

Subjects
matériau composite, biopolymer, mechanical characteristic, biopolymère, [SDV.IDA]Life Sciences [q-bio]/Food engineering, propriété mécanique, composite material, simulation, [PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

Structure and Dynamics of Polymer Composites and Gels: A Simulation Perspective. Edible Soft Matter – a SoftComp Topical Workshop

Published
2019

19. Structuring and degrading polymers via catalytic reactions

Author

Hugouvieux, Virginie, Sciences Pour l'Oenologie (SPO), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
polymère, [SDV.IDA]Life Sciences [q-bio]/Food engineering, réaction catalytique
Published
2018

20. Structuring and degrading polymer gels via catalytic reactions

Author

Hugouvieux, Virginie, Kob, Walter, Sciences Pour l'Oenologie (SPO), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), and Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
polymère, [CHIM.POLY]Chemical Sciences/Polymers
Abstract

Site des journées du GDR : http://slamm.cnrs.fr/?cat=12; Structuring and degrading polymer gels via catalytic reactions. 1. Réunion plénière du GDR SLAMM (Solliciter LA Matière Molle)

Published
2018

21. Structure and dynamics of a polymer-nanoparticle composite

Author

Hugouvieux, Virginie, SORICHETTI, Valerio, KOB, Walter, Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2018

23. Gel-formation via catalytic reactions: Insight from computer simulations

Author

KOB, Walter, Hugouvieux, Virginie, Université de Montpellier (UM), Sciences Pour l'Oenologie (SPO), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

24. Structuring biopolymer gels via catalytic reactions

Author

Hugouvieux, Virginie, KOB, Walter, Sciences Pour l'Oenologie (SPO), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)

Subjects
[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

25. Computer simulations of gel-formation via catalytic reactions

Author

Hugouvieux, Virginie, Kob, Walter, Sciences Pour l'Oenologie (SPO), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Université de Montpellier (UM), Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
Quantitative Biology::Subcellular Processes, [SDV]Life Sciences [q-bio], Physics::Classical Physics, Computer Science::Other
Abstract

Computer simulations of gel-formation via catalytic reactions. Correlation and Disorder in Classical and Quantum Systems

Published
2017

28. Cluster Phase in enzyme-induced Gelation of Polymers

Author

Hugouvieux, Virginie, Kob, Walter, Sciences Pour l'Oenologie (SPO), Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Université de Montpellier (UM), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), and Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
numerical models, enzymatic catalysis, health care facilities, manpower, and services, [SDV]Life Sciences [q-bio], education, catalyse enzymatique, modèle, cluster, health care economics and organizations
Abstract

Cluster Phase in enzyme-induced Gelation of Polymers. International soft matter conference (ISMC)

Published
2016

29. Structuring of polymer gels via catalytic reactions

Author

Hugouvieux, Virginie, Kob, Walter, Sciences Pour l'Oenologie (SPO), Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Université de Montpellier (UM), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Université Montpellier 1 (UM1)-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
numerical models, catalysis, enzymatic catalysis, polymer, [SDV]Life Sciences [q-bio], education, gelation, modèle, polymère, simulations, cluster, catalyse enzymatique, health care economics and organizations
Abstract

Structuring of polymer gels via catalytic reactions. International Conference on Bioinspired and Biobased Chemistry & Materials

Published
2016

31. Micelle formation, gelation and adsorption of amphiphilic multiblock copolymers

Author

Hugouvieux, Virginie, Axelos M.A.V, Monique, Kolb, Max, Sciences Pour l'Oenologie (SPO), Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Institut National de la Recherche Agronomique (INRA), Laboratoire de Chimie, Ecole Nationale d'Industrie Minière - Rabat, Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), and Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
enzyme, biopolymer, [SDV]Life Sciences [q-bio], biopolymère, jellification, gélification
Abstract

Micelle formation, gelation and adsorption of amphiphilic multiblock copolymers. Biopolymers 2013 : Biopolymer Assemblies for Material Design

Published
2013

32. Micelle formation, gelation and adsorption of amphiphilic multiblock copolymers: A Monte Carlo study

Author

Hugouvieux, Virginie, Axelos M.A.V, Monique, Kolb, Max, Sciences Pour l'Oenologie (SPO), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Institut National de la Recherche Agronomique (INRA), Laboratoire de Chimie, Ecole Nationale d'Industrie Minière - Rabat, Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), and Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)

Subjects
enzyme, biopolymer, [SDV]Life Sciences [q-bio], biopolymère, jellification, gélification
Abstract

Micelle formation, gelation and adsorption of amphiphilic multiblock copolymers: A Monte Carlo study. International soft matter conference (ISMC)

Published
2013

33. Multiblock copolymer adsorption on a hydrophobic surface: A Monte Carlo simulation study

Author

Kolb, Max, Hugouvieux, Virginie, Laboratoire de Chimie, Ecole Nationale d'Industrie Minière - Rabat, Sciences Pour l'Oenologie (SPO), Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), ProdInra, Archive Ouverte, and Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
[SDV] Life Sciences [q-bio], enzyme, biopolymer, [SDV]Life Sciences [q-bio], micelle, biopolymère
Abstract

Dilute solutions of long multiblock copolymers with alternating hydrophilic and hydrophobic segments in contact with a hydrophobic surface have been investigated by Monte Carlo simulation in order to characterize the structure of the adsorption layer. Its properties are determined as a function of the bulk hydrophobicity, the surface hydrophobicity and the monomer concentration. The influence of the copolymer length and its block structure is also investigated. Interesting features appear close to the bulk critical micelle concentration: surface micelles, a secondary surface layer of bulk micelles, depletion effects. Depending on the interaction strengths the surface layer consists of individually adsorbed hydrophobic segments or of surface micelles, at equilibrium with bulk micelles, as found in a previous study of the bulk properties. At higher surface coverage the surface micelles form a regularly spaced layer of hydrophilically connected micellar cores. For sufficiently long copolymers a layer of bulk micelles is hydrophilically attached to the layer of surface micelles.

Published
2013

34. Structure and dynamics of l−Ge: Neutron scattering experiments and ab initio molecular dynamics simulations

Author

Hugouvieux, Virginie, Farhi, Emmanuel, Johnson, Mark R., Juranyi, Fanni, Bourges, Philippe, Kob, Walter, Université Montpellier 2 - Sciences et Techniques (UM2), Institut Laue-Langevin, Institut LAUE LANGEVIN, Laboratory for Neutron Scattering, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), and Institut Laue-Langevin (ILL)

Subjects
[SDV]Life Sciences [q-bio], FOS: Physical sciences, Disordered Systems and Neural Networks (cond-mat.dis-nn), Condensed Matter - Disordered Systems and Neural Networks, Nuclear Experiment
Abstract

We report the first measurements of the dynamics of liquid germanium (l-Ge) by quasi-elastic neutron scattering on time-of-flight and triple-axis spectrometers. These results are compared with simulation data of the structure and dynamics of l-Ge which have been obtained with ab initio density functional theory methods. The simulations accurately reproduce previous results from elastic and inelastic scattering experiments, as well as the q-dependence of the width of the quasi-elastic signal of the new experimental data. In order to understand some special features of the structure of the liquid we have also simulated amorphous Ge. Overall we find that the atomistic model represents accurately the average structure of real l-Ge as well as the time dependent structural fluctuations. The new quasi-elastic neutron scattering data allows us to investigate to what extent simple theoretical models can be used to describe diffusion in l-Ge., 11 pages, 14 figures

Published
2007
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35. Simulation complète d'une expérience de diffusion de neutrons : des systèmes modèles au germanium liquide

Author

Hugouvieux, Virginie, Laboratoire des colloïdes, verres et nanomatériaux (LCVN), Université Montpellier 2 - Sciences et Techniques (UM2)-Centre National de la Recherche Scientifique (CNRS), Institut Laue-Langevin (ILL), ILL, Université Montpellier II - Sciences et Techniques du Languedoc, and Walter Kob et Mark R. Johnson

Subjects
structure et dynamique des liquides, structure and dynamics of liquids, molecular dynamics simulation, diffusion de neutrons, [PHYS.PHYS]Physics [physics]/Physics [physics], neutron scattering, simulation par dynamique moléculaire
Abstract

In this thesis, both theoretical and experimental studies of liquids are done. Neutron scattering enables structural and dynamical properties of liquids to be investigated. On the theoretical side, molecular dynamics simulations are of great interest since they give positions and velocities of the atoms and the forces acting on each of them. They also enable spatial and temporal correlations to be computed and these quantities are also available from neutron scattering experiments. Consequently, the comparison can be made between results from molecular dynamics simulations and from neutron scattering experiments, in order to improve our understanding of the structure and dynamics of liquids.However, since extracting reliable data from a neutron scattering experiment is diffucult, we propose to simulate the experiment as a whole, including both instrument and sample, in order to gain understanding and to evaluate the impact of the different parasitic contributions (absorption, multiple scattering associated with elastic and inelastic scattering, instrument resolution). This approach, in which the sample is described by its structure and dynamics as computed from molecular dynamics simulations, is presented and tested on isotropic model systems.Then liquid germanium is investigated by inelastic neutron scattering and both classical and ab initio molecular dynamics simulations. This enables us to simulate the experiment we performed and to evaluate the influence of the contributions from the instrument and from the sample on the detected signal.; Dans cette thèse, l'étude des liquides est envisagée d'un point de vue théorique et expérimental. La diffusion de neutrons permet l'investigation des propriétés structurales et dynamiques des liquides. Sur le plan théorique, les simulations par dynamique moléculaire sont d'un grand attrait car elles donnent accès aux positions et vitesses des atomes ainsi qu'aux forces qu'ils exercent entre eux. Elles permettent aussi de calculer les corrélations spatiales et temporelles, aussi mesurées par diffusion de neutrons. Par conséquent, les résultats de simulations par dynamique moléculaire et d'expériences de diffusion de neutrons peuvent être comparés afin d'améliorer notre compréhension de la structure et de la dynamique des liquides. Toutefois, l'extraction de données fiables à partir des expériences de diffusion de neutrons étant délicate, nous proposons de simuler l'expérience dans son ensemble, c'est-à-dire l'instrument et l'échantillon, afin de mieux comprendre et évaluer l'impact des différentes contributions parasites (absorption, diffusion multiple associée à la diffusion élastique et inélastique, résolution instrumentale). Cette approche, dans laquelle l'échantillon est décrit par ses caractéristiques structurales et dynamiques calculées par dynamique moléculaire, est présentée et testée dans un premier temps sur des systèmes modèles isotropes.Par la suite, le germanium liquide est étudié par diffusion inélastique des neutrons ainsi que par dynamique moléculaire classique et ab initio. Ceci permet ensuite de simuler l'expérience réalisée et d'évaluer l'influence sur le signal détecté des contributions de l'instrument et de l'échantillon.

Published
2004

42. Multiblock Copolymer Solutions in Contact with a Surface:Self-Assembly, Adsorption, and Percolation.

Author

Hugouvieux, Virginie and Kolb, Max

Subjects
*BLOCK copolymers, *SOLUTION (Chemistry), *ENEMIES, *MONTE Carlo method, *MONOMERS, *MICELLES
Abstract

Amphiphilic copolymers are oftenused as compatibilizing or stabilizingagents, either in solution or at surfaces. In the special case ofmultiblock copolymers the connectivity of the blocks combines withthe antagonistic behavior of the different types of blocks. Here wereport on the behavior of solutions of amphiphilic multiblock copolymerswith a large number of blocks and a low fraction of solvophobic monomersin contact with an attractive surface. Using lattice Monte Carlo simulations,the influence on the structures of the solvent quality and the typeof surface from noninteracting to strongly attractive to the solvophobicmonomers can be assessed. In the presence of a surface bulk micellesare formed that are not different in size and shape from the micellesobserved in the absence of a surface. When increasing the surfaceattraction, solvophobic monomers tend to adsorb either as isolatedblocks or forming surface micelles. Evidence is given of a surfaceconcentration threshold above which surface micelles can form dueto microphase separation. These surface micelles are in equilibriumwith bulk micelles, some of which are connected to the surface througha path of either hydrophobic and/or hydrophilic blocks or hydrophobiccross-links, or both. The size distributions of bulk and connectedmicelles are similar. With increasing surface concentration surfacemicelles get organized due to the steric repulsion between core–shellsurface micelles. Moreover, these organized surface micelles percolate.The connected micelles form a concentrated layer parallel to the attractivesurface. In addition, these systems are governed by two very differenttime scales: The fast one leads to micellar self-assembly in the bulkand at the surface while the slow one prevents the system from reachingequilibrium in the course of the simulations and corresponds to thetransfer of copolymers from the bulk to the attractive surface. [ABSTRACT FROM AUTHOR]

Published
2014
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43. Probing the micellar solubilisation and inter-micellar exchange of polyphenols using the DPPH free radical.

Author

Laguerre, Mickaël, Hugouvieux, Virginie, Cavusoglu, Nükhet, Aubert, Fabien, Lafuma, Aurélie, Fulcrand, Hélène, and Poncet-Legrand, Céline

Subjects
*MICELLES, *SOLUBILITY, *POLYPHENOLS, *FREE radicals, *CATECHIN, *CHEMICAL reduction
Abstract

Highlights: [•] DPPH free radical partitions into SDS micelles. [•] DPPH absorbance (528nm) drops when DPPH is reduced by catechin. [•] DPPH is used to probe solubilisation of catechin in SDS micelles. [•] Evidences of SDS pre-micellar aggregates formation are brought. [•] At low polyphenol:micelle ratio, the reduction reaction is diffusion-limited. [ABSTRACT FROM AUTHOR]

Published
2014
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45. MCNSI: Virtual Experiments for the Neutron Society.

Author

Lefmann, Kim, Farhi, Emmanuel, and Hugouvieux, Virginie

Subjects
SCATTERING (Physics), COMPUTER simulation, NUCLEAR research, SCIENTISTS
Abstract

Provides information on the Monte Carlo Simulation of Neutron Scattering Instruments (MCNSI). Background on the development in neutron simulation in Europe and the U.S.; Aspects of neutron scattering included in the MCNSI virtual experiments; Need to educate instrument scientists regarding the use of simulation packages.

Published
2005

46. Multiscale modeling for bioresources and bioproducts

Author

Xavier Frank, Alberto Paolo Tonda, Nicolas Blanc, Jean-Yves Delenne, Thomas Chabin, Frédéric Mabille, Farhang Radjai, V. Hugouvieux, Thierry Ruiz, Evelyne Lutton, Marc Barnabe, Agnès Duri, Nathalie Perrot, Saeid Nezamabadi, Génie et Microbiologie des Procédés Alimentaires (GMPA), AgroParisTech-Institut National de la Recherche Agronomique (INRA), Ingénierie des Agro-polymères et Technologies Émergentes (UMR IATE), Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Institut National de la Recherche Agronomique (INRA)-Université Montpellier 2 - Sciences et Techniques (UM2)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro), Sciences Pour l'Oenologie (SPO), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Université Montpellier 1 (UM1)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Physique et Mécanique des Milieux Divisés (PMMD), Laboratoire de Mécanique et Génie Civil (LMGC), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro), Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)-Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), Génie et Microbiologie des Procédés Alimentaires ( GMPA ), Institut National de la Recherche Agronomique ( INRA ) -AgroParisTech, Ingénierie des Agro-polymères et Technologies Émergentes ( IATE ), Centre de Coopération Internationale en Recherche Agronomique pour le Développement ( CIRAD ) -Université de Montpellier ( UM ) -Université Montpellier 2 - Sciences et Techniques ( UM2 ) -Institut national d’études supérieures agronomiques de Montpellier ( Montpellier SupAgro ) -Institut National de la Recherche Agronomique ( INRA ) -Centre international d'études supérieures en sciences agronomiques ( Montpellier SupAgro ), Sciences Pour l'Oenologie ( SPO ), Institut National de la Recherche Agronomique ( INRA ) -Institut de Recherche pour le Développement ( IRD [Nouvelle-Calédonie] ) -Université de Montpellier ( UM ) -Université Montpellier 1 ( UM1 ) -Institut national d’études supérieures agronomiques de Montpellier ( Montpellier SupAgro ), Laboratoire de Mécanique et Génie Civil ( LMGC ), Université de Montpellier ( UM ) -Centre National de la Recherche Scientifique ( CNRS ), Physique et Mécanique des Milieux Divisés ( PMMD ), Université de Montpellier ( UM ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Montpellier ( UM ) -Centre National de la Recherche Scientifique ( CNRS ), Barnabé, Marc, Blanc, Nicolas, Chabin, Thomas, Delenne, Jean-Yves, Duri, Agnès, Frank, Xavier, Hugouvieux, Virginie, Lutton, EVELYNE, Mabille, Frederic, Nezamabadi, Saeid, Perrot, Nathalie, Radjaï, Farhang, Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Institut national d'enseignement supérieur pour l'agriculture, l'alimentation et l'environnement (Institut Agro)-Centre de Coopération Internationale en Recherche Agronomique pour le Développement (Cirad)-Centre international d'études supérieures en sciences agronomiques (Montpellier SupAgro)-Université Montpellier 2 - Sciences et Techniques (UM2)-Université de Montpellier (UM)-Institut National de la Recherche Agronomique (INRA), and Institut National de la Recherche Agronomique (INRA)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Institut de Recherche pour le Développement (IRD [Nouvelle-Calédonie])-Institut national d’études supérieures agronomiques de Montpellier (Montpellier SupAgro)

Subjects
Ingénierie des aliments, granular structure, Grain mobility, computer.software_genre, 01 natural sciences, Structuring, Industrial and Manufacturing Engineering, 010305 fluids & plasmas, Interactive Learning, [INFO.INFO-AI]Computer Science [cs]/Artificial Intelligence [cs.AI], système expert, processus d'apprentissage, Numerical modeling, [SDV.IDA]Life Sciences [q-bio]/Food engineering, Graphical model, apprentissage machine, 2. Zero hunger, Physics, méthode prédictive, [ SDV.IDA ] Life Sciences [q-bio]/Food engineering, Granular matter, Multiscale modeling, Living systems, maturation du raisin, analyse multiéchelle, Graphical models, structure granulaire, Process (engineering), microstructure, production bactérienne, Context (language use), Mechanics, models, Artificial Intelligence, 0103 physical sciences, Machine learning, Hydrotextural diagram, maturation du fromage, Food engineering, [ INFO.INFO-AI ] Computer Science [cs]/Artificial Intelligence [cs.AI], 010306 general physics, expert system, Soft-matter physics, Microstructure, Elaboration process, Expert knowledge, Interactive learning, General Chemistry, Intelligence artificielle, Expert system, Graphical, Biochemical engineering, computer, Food Science
Abstract

International audience; Designing and processing complex matter and materials are key objectives of bioresource and bioproduct research. Modeling approaches targeting such systems have to account for their two main sources of complexity: their intrinsic multi-scale nature; and the variability and heterogeneity inherent to all living systems. Here we provide insight into methods developed at the Food & Bioproduct Engineering division (CEPIA) of the French National Institute of Agricultural Research (INRA). This brief survey focuses on innovative research lines that tackle complexity by mobilizing different approaches with complementary objectives. On one hand cognitive approaches aim to uncover the basic mechanisms and laws underlying the emerging collective properties and macroscopic behavior of soft- matter and granular systems, using numerical and experimental methods borrowed from physics and mechanics. The corresponding case studies are dedicated to the structuring and phase behavior of biopolymers, powders and granular materials, and to the evolution of these structures caused by external constraints. On the other hand machine learning approaches can deal with process optimizations and outcome predictions by extracting useful information and correlations from huge datasets built from experiments at different length scales and in heterogeneous conditions. These predictive methods are illustrated in the context of cheese ripening, grape maturity prediction and bacterial production.

Published
2018
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