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1,531 results on '"Dupin, N."'

151. Pemphigoïde du pénis

Author

Joly, E., primary, Seta, V., additional, Plantier, F., additional, Alexandre, M., additional, Dupin, N., additional, and Chanal, J., additional

Published
2019
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152. Congenital syphilis: A prospective study of 22 cases diagnosed by PCR

Author

Garel, B., primary, Grange, P., additional, Benhaddou, N., additional, Schaub, B., additional, Desbois-Nogard, N., additional, Thouvenin, M., additional, Lepoutre, X., additional, Levy, R., additional, Navarro, C., additional, Charlier, C., additional, Ndeikoundam Ngangro, N., additional, Viriot, D., additional, and Dupin, N., additional

Published
2019
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162. Research Collaborations: a guide for early career researchers

Author

Abou-Ali, A., Mazari, A., Scherer, A., Dziubińska, A., Pardo Gracía, A., Punstein, A., Grimm, A., Bösmeier, A., Feliu, A., Wong, B., Langlands-Perry, C., Henein, C., O'Leary, C., Kuz, D., Vdovenko, D., Mesa, D., Gelo, D., Romani, E., Neenan, E., Kaulich, E., Hannon, G., O’Sullivan, G., Spolidoro, G., Baker, H., Domen, I., Sugrue, J., Maleček, J., Strycharz, J., Harmon, J., Gonçalves, J., Vanderlinden, J., Dianati, K., Káplár-Kodácsy, K., Zahra, K., Hachem, M., Klaus, M., Laufer, M., Atif, M., Elhadad, M., Dupin, N., Bod, P., van Woerden, R., Gunnarsson, S., Assaad, S., Briggs, S., Shrigley, S., Pant, S., Cvjetković, S., Piazza, S., Taroni, T., Kankainen, V., Hommes, W., ACELG (FdR), and Persuasive Communication (ASCoR, FMG)

Published
2019

166. Thermodynamic investigations of the uranium-molybdenum-oxygen system by a coupling of density functional theory and CALPHAD methodologies

Author

Quaini, A., Gossé, S., Brackx, E., Domenger, R., Kurata, M., Hodaj, F., Corcoran, E.C., Flèche, J.-L., Dupin, N., Sundman, B., Guéneau, C., Laboratoire de Modélisation, Thermodynamique et Thermochimie (LM2T), Service de la Corrosion et du Comportement des Matériaux dans leur Environnement (SCCME), Département de Physico-Chimie (DPC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Département de Physico-Chimie (DPC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Science et Ingénierie des Matériaux et Procédés (SIMaP ), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Calcul Thermodynamique, Royal Institute of Technology [Stockholm] (KTH ), and Service de Chimie Physique (SCP)

Subjects
Materials science, General Chemical Engineering, chemistry.chemical_element, Thermodynamics, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, symbols.namesake, Ab initio quantum chemistry methods, CALPHAD, ComputingMilieux_MISCELLANEOUS, Phase diagram, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Uranium, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Computer Science Applications, Gibbs free energy, chemistry, Molybdenum, symbols, Density functional theory, 0210 nano-technology, Ternary operation
Abstract

This paper examines the development of a consistent thermodynamic model for the uranium (U) – molybdenum (Mo) – oxygen (O) system for incorporation into the Thermodynamics of Advanced Fuels - International Database (TAF-ID). Phase diagram data and thermodynamic properties from the literature are reviewed. Density functional theory ab initio calculations at 0 K are combined with a quasi-harmonic statistical thermodynamic model to calculate thermodynamic functions (e.g., ∆ f H 298.15 K o , S 298.15 K o , and C p ° ( T ) ) of the relevant ternary compounds when little or no thermodynamic literature data are available. A CALPHAD method is employed to derive a model describing the Gibbs energy functions for all the relevant ternary compounds, the liquid phase, and the gas phase of the U-Mo-O system. A consistent thermodynamic model is obtained for the Mo-U-O system with a special emphasis placed on the oxygen rich portion of the ternary (i.e., MoO2-UO2-O). Finally, supporting binary and pseudo binary diagrams (e.g., Mo-O, UO2-MoO3 and UO3-MoO3) are computed and compared to literature data.

Published
2018

177. Thermodynamic Assessment of the Zr–O Binary System

Author

Liang, P., Dupin, N., Fries, S. G., Seifert, H. J., Ansara, I., Lukas, H. L., and Aldinger, F.

Abstract

Thermodynamic and phase diagram experimental data relevant to the Zr–O binary system have been assessed. A set of Gibbs energy functions describing the phases in this system is presented. The adjustable parameters of the models are obtained by least-squares fit to the experimental data. The liquid phase is described by Hillert’s partially ionic liquid model. The interstitial solid solution model is applied to the metallic zirconium solid solutions bZr and αZr. The ordering αZr is described by a three-sublattice model with Bragg-Williams treatment of ordering. The two modifications of the zirconium dioxide, αZrO2and bZrO2, are modelled as stoichiometric phases. The modification cZrO2is described by the Wagner-Schottky model expressed in the compound-energy formalism. The gas phase is treated as an ideal solution of the species Zr, Zr2,O1, O2, O3, ZrO and ZrO2. The calculated phase diagrams and values for the thermodynamic properties are compared with experimental data.

Published
2022
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178. Using Ab InitioCalculations in the Calphad Environment

Author

Burton, B. P., Dupin, N., Fries, S. G., Grimvall, G., Fernández Guillermet, A., Miodownik, P., Oates, W. Alan, and Vinograd, V.

Abstract

Methods for applying first principles (FP) calculations to CALPHAD modeling, are discussed, with emphasis on easily calculated quantities that can be used to estimate input parameters for CALPHAD optimizations. Estimations of vibrational entropies, and melting points, from chemical systematics of measured elastic constants, or via semiempirical methods based on FP calculations are reviewed. Some strategies for including higher-order (clusters larger than pairs) short range order correlations in CALPHAD calculations are considered.

Published
2022
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179. Modelling the sigma phase

Author

Mathieu R., Dupin N., Crivello J.-C, Joubert J.-M., Yaqoob K., Breidi A., Fiorani J.-M., and David N.

Subjects
Engineering (General). Civil engineering (General), TA1-2040
Published
2013
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191. Prevalence and impact of genital psoriasis

Author

Larsabal, M., primary, Ly, S., additional, Sbidian, E., additional, Moyal‐Barracco, M., additional, Dauendorffer, J.‐N., additional, Dupin, N., additional, Richard, M.A., additional, Chosidow, O., additional, and Beylot‐Barry, M., additional

Published
2019
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192. 生殖器银屑病的患病率和影响

Author

Larsabal, M., primary, Ly, S., additional, Sbidian, E., additional, Moyal‐Barracco, M., additional, Dauendorffer, J.‐N., additional, Dupin, N., additional, Richard, M.A., additional, Chosidow, O., additional, and Beylot‐Barry, M., additional

Published
2019
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197. Abcès cutané nécrotique à Staphylococcus aureus résistant à la méticilline (SARM) sécréteur d’une toxine de Panton-Valentine (PVL) compliqué d’une bactériémie et de localisations cutanées secondaires chez un homme séropositif pour le VIH

Author

Isnard, C., primary, Lheure, C., additional, Franck, N., additional, Morand, P., additional, Gustave, C.-A., additional, Martin, A., additional, Deleuze, J., additional, Kerneis, S., additional, and Dupin, N., additional

Published
2018
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