Documents publiés en "2016"

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Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). FactSage thermochemical software and databases, 2010–2016. Calphad, 54, 35-53. Disponible

Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). Reprint of: FactSage thermochemical software and databases, 2010-2016 (vol 54, pg 35, 2016). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 55(1), 1-19. Lien externe

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Gheribi, A. E., & Chartrand, P. (février 2016). Prediction of the thermal conductivity of oxide microstructures by a new self consistent thermodynamics method supported by first principle calculations [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Non disponible

Gheribi, A. E., & Chartrand, P. (2016). Thermal conductivity of molten salt mixtures: theoretical model supported by equilibrium molecular dynamics simulations. Journal of Chemical Physics, 144(8), 12 pages. Lien externe

Gheribi, A. E., Harvey, J.-P., Belisle, E., Robelin, C., Chartrand, P., Pelton, A., Bale, C. W., & Le Digabel, S. (2016). Use of a biobjective direct search algorithm in the process design of material science applications. Optimization and Engineering, 17(1), 27-45. Lien externe

Gheribi, A. E., Harvey, J.-P., Chartrand, P., Bélisle, E., Bale, C. W., & Pelton, A. (février 2016). Identifying optimal conditions for alloys and process design using the Mesh Adaptive Direct Search algorithm [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Non disponible

Gheribi, A. E., Salanne, M., & Chartrand, P. (2016). Formulation of Temperature-Dependent Thermal Conductivity of NaF, -Na3AlF6, Na5Al3F14, and Molten Na3AlF6Supported by Equilibrium Molecular Dynamics and Density Functional Theory. Journal of Physical Chemistry C, 120(40), 22873-22886. Lien externe

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Kang, Y.-B., & Chartrand, P. (2016). Calculation of property diagram as a zero-phase fraction line of auxiliary phase. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 55, 69-75. Lien externe

Kang, Z., Robelin, C., He, M., & Chartrand, P. (2016). Thermodynamic evaluation and optimization of the (KF + YF₃), (KCl + YCl₃) and (YF₃ + YbF₃) binary systems. Journal of Chemical Thermodynamics, 98, 242-253. Lien externe

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Mezbahul-Islam, M., Belanger, F., Chartrand, P., Jung, I.-H., & Coursol, P. (2016). Application of thermodynamic calculations to the pyro-refining process for production of high purity bismuth. Metallurgical and Materials Transactions B, 48(1), 73-90. Lien externe

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Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2016). The graphitization temperature threshold analyzed through a second-order structural transformation. Carbon, 109, 896-908. Lien externe

Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mai 2016). Le seuil de graphitisation traité par une approche structurelle et thermodynamique [Présentation]. Dans Colloque annuel de la Société Francophone d'Études des Carbones (SFEC 2016), Carqueiranne, France.. Non disponible

Ouzilleau, P., Gheribi, A. E., Lindberg, D. K., & Chartrand, P. (2016). A Size-Dependent Thermodynamic Model for Coke Crystallites: The Carbon-Sulfur System Up to 2500 K (2227 °C). Metallurgical and Materials Transactions B, 47(3), 1817-1831. Lien externe

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Robelin, C., Gemme, F., & Chartrand, P. (juillet 2016). Thermodynamic models for salt systems used for the production of fertilizers [Communication écrite]. EUCHEM Conference on Molten Salts and Ionic Liquids XXVI, Vienna, Austria. Non disponible

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Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. Thermophysical Properties of LiFePO4: DFT+U Computations Combined with a Thermodynamically Self-Consistent (TSC) Method [Résumé]. 229th ECS Meeting, San Diego, CA, USA. Publié dans ECS Meeting Abstracts, MA2016-01(4). Lien externe

Seifitokaldani, A., Gheribi, A. E., Dolle, M., & Chartrand, P. (2016). Thermophysical properties of titanium and vanadium nitrides: Thermodynamically self-consistent approach coupled with density functional theory. Journal of Alloys and Compounds, 662, 240-251. Lien externe

Seifitokaldani, A., Gheribi, A. E., Phan, A. T., Chartrand, P., & Dollé, M. (2016). Important variation in vibrational properties of LiFePO4 and FePO4 induced by magnetism. Scientific Reports, 6(1), 1-10. Disponible

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Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). Melt Synthesis of LiFePO4: Fundamentals, Versatility and Application. Meeting abstracts, MA2016-02(3), 503-503. Lien externe

Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Gauthier, M., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). On the Versatility of Melt-Synthesis of LiFePO4 cathode Material. Meeting abstracts, MA2016-03(2), 1022-1022. Lien externe

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Wang, K., Robelin, C., Wu, Z., Li, C., Xie, L., & Chartrand, P. (2016). Thermodynamic description of the AgCl-CoCl₂-InCl₃-NaCl system. Journal of Alloys and Compounds, 663, 885-898. Lien externe