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Documents dont le centre de recherche est "CRCT - Centre de recherche en calcul thermochimique"

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Nombre de documents: 30

Article de revue

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

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., Autissier, E., Gardarein, J. L., & Richou, M. (2016). Thermal transport properties of multiphase sintered metals microstructures. The copper-tungsten system: Experiments and modeling. Journal of Applied Physics, 119(14), 8 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., 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

Hidayat, T., Shishin, D., Decterov, S., & Jak, E. (2016). Thermodynamic Optimization of the Ca-Fe-O System. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 47(1), 256-281. Lien externe

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

Lin, C., Wang, S., Chen, G., Wang, K., Cheng, Z., Lu, X., & Li, C. (2016). Thermodynamic evaluation of the BaO-ZrO2-YO1.5 system. Ceramics International, 42(12), 13738-13747. Lien externe

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

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., 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

Pelton, A., & Kang, Y.-B. (2016). Regarding “Sulfide Capacity in Ladle Slag at Steelmaking Temperatures,” C. Allertz, Du Sichen; MMTB 2015 December. Metallurgical and Materials Transactions B, 47(6), 3241-3243. Lien externe

Robelin, C. (2016). Models for the thermodynamic properties of molten salt systems: Perspectives for ionic liquids. Fluid Phase Equilibria, 409, 482-494. Lien externe

Seifitokaldani, A., Gheribi, A. E., & Dollé, M. (2016). On the limitation of density functional theory (DFT) for the treatment of the anharmonicity in FCC metals. Solid State Communications, 247, 78-81. 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

Shishin, D., Prostakova, V., Jak, E., & Decterov, S. (2016). Critical Assessment and Thermodynamic Modeling of the Al-Fe-O System. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 47(1), 397-424. Lien externe

Thibodeau, É., Gheribi, A. E., & In-Ho, J. (2016). A structural molar volume model for oxide melts part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 melts-binary systems. Metallurgical and Materials Transactions B, 47(2), 1147-1164. Lien externe

Thibodeau, É., Gheribi, A. E., & In-Ho, J. (2016). A structural molar volume model for oxide melts Part III: Fe oxide-containing melts. Metallurgical and Materials Transactions B, 47(2), 1187-1202. Lien externe

Thibodeau, É., Gheribi, A. E., & Jung, I.-H. (2016). A Structural Molar Volume Model for Oxide Melts Part II: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Ternary and Multicomponent Systems. Metallurgical and Materials Transactions B, 47(2), 1165-1186. Lien externe

Wang, J., Jin, L., Chen, C., Rao, W., Wang, C., & Liu, X. (2016). Critical evaluation and thermodynamic optimization of the U-Pb and U-Sb binary systems. Journal of Nuclear Materials, 480, 216-222. Lien externe

Wang, J., Wang, K., Ma, C., & Xie, L. (2016). Critical evaluation and thermodynamic optimization of the (U plus Bi), (U plus Si) and (U plus Sn) binary systems. Journal of Chemical Thermodynamics, 92, 158-167. Lien externe

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

Zhu, Z., Gharghouri, M. A., & Pelton, A. (2016). Thermodynamic modelling and in-situ neutron diffraction investigation of the (Nd + Mg + Zn) system. Journal of Chemical Thermodynamics, 94, 43-51. Lien externe

Zhu, Z., Gharghouri, M. A., Medraj, M., Lee, S. Y., & Pelton, A. (2016). Thermodynamic modelling and in-situ neutron diffraction investigation of the (Ce+Mg+Zn) system. Journal of Chemical Thermodynamics, 93, 242-254. Lien externe

Communication écrite

Al-Maskari, S., Bélisle, E., Li, X., Le Digabel, S., Nawahda, A., & Zhong, J. (avril 2016). Classification with quantification for air quality monitoring [Communication écrite]. 20th Pacific-Asia Conference on Advances in Knowledge Discovery and Data Mining (PAKDD 2016), Auckland, New Zealand. Lien externe

Jak, E., Hidayat, T., Shishin, D., Mehrjardi, A. F., Chen, J., Decterov, S., & Hayes, P. (mai 2016). Integrated experimental and modelling research for non-ferrous smelting and recycling systems [Communication écrite]. 10th International Conference on Molten Slags, Fluxes and Salts (Molten 2016), Seattle, Washington. Lien externe

Shishin, D., Hidayat, T., Decterov, S., & Jak, E. (mai 2016). Thermodynamic modelling of liquid slag-matte-metal equilibria applied to the simulation of the Peirce-Smith converter [Communication écrite]. 10th International Conference on Molten Slags, Fluxes and Salts (Molten 2016), Seattle, Washington. Lien externe

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