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Benalia, S., Chartrand, P., & Robelin, C. (2023). Critical Evaluation of the Thermodynamic Properties of Na²Cr²O⁷, K²Cr²O⁷, Na²Mo²O⁷, K²Mo²O⁷, Na²W²O⁷, and K²W²O⁷. Journal of Physical and Chemical Reference Data, 52(4), 043103 (23 pages). Lien externe
Benalia, S., Tesfaye, F., Lindberg, D., Hupa, L., Chartrand, P., & Robelin, C. (2023). Thermodynamic Model for High-Temperature Corrosion Applications: The (NaCl + Na₂CO₃ + Na₂SO₄ + Na₂S2O₇ + Na₂CrO₄ + Na₂Cr₂O₇ + Na₂MoO₄ + Na₂Mo₂O₇ + Na₂O + KCl + K₂CO₃ + K₂SO₄ + K₂S₂O₇ + K₂CrO₄ + K₂Cr₂O₇ + K₂MoO₄ + K₂Mo₂O₇ + K₂O) System. Industrial & Engineering Chemistry Research, 62(49), 21397-21427. Lien externe
Benalia, S., Tesfaye, F., Lindberg, D., Sibarani, D., Hupa, L., Chartrand, P., & Robelin, C. (2023). Critical Evaluation and Calorimetric Study of the Thermodynamic Properties of Na₂CrO4, K2CrO4, Na2MoO4, K2MoO4, Na2WO4 and K2WO4. Journal of Physical and Chemical Reference Data, 52(4), 28 pages. Lien externe
Castillo-Sánchez, J.-R., Gheribi, A. E., Lafaye, P., Salloum-Abou-Jaoude, G., & Harvey, J.-P. (juin 2023). Investigation of silicon sublattice substitution within (Al,Si)3Zr intermetallics via DFT simulations [Communication écrite]. 16th International Conference on Modelling of Casting Welding and Advanced Solidification Processes (MCWASP 2023), Banff, Alberta, Canada (8 pages). Publié dans IOP Conference Series: Materials Science and Engineering, 1281(1). Disponible
Castillo-Sánchez, J.-R., Oishi, K., St-Germain, L., Ait-Amer, D., & Harvey, J.-P. (2023). The power of computational thermochemistry in high-temperature process design and optimization : part 1 - unit operations. Calphad, 82, 102593 (16 pages). Accès restreint
Ghasri-Khouzani, M., Karimialavijeh, H., Pröbstle, M., Batmaz, R., Muhammad, W., Chakraborty, A., Sabiston, T. D., Harvey, J.-P., & Martin, É. (2023). Processability and characterization of A20X aluminum alloy fabricated by laser powder bed fusion. Materials Today Communications, 35, 105555 (14 pages). Lien externe
Gheribi, A. E., Phan, A. T., & Chartrand, P. (2023). Electrochemical description of the interfacial tension between the liquid metal pad and cryolitic melts in industrial electrolysis cells. Journal of Molecular Liquids, 369, 12 pages. Lien externe
Jofré, J., Gheribi, A. E., & Harvey, J.-P. (2023). Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 83, 102624 (16 pages). Lien externe
Kidari, O., & Chartrand, P. (2023). Thermodynamic Evaluation and Optimization of the Ag-As-S system. Journal of Phase Equilibria and Diffusion, 44(2), 269-299. Lien externe
Kidari, O., & Chartrand, P. (2023). Thermodynamic evaluation and optimization of the As-Co, As-Fe and As-Fe-S systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 102589 (15 pages). Lien externe
Lafaye, P., Oishi, K., & Harvey, J.-P. (2023). A comprehensive study on the thermodynamics of the Al₁₃Fe₄ solid solution in the Al-Fe-Mn ternary system. Journal of Alloys and Compounds, 169054. Accès restreint
Lafaye, P., Vo, M. D., Jofré, J., & Harvey, J.-P. (2023). Investigating the Al/Si mixed site occupancy in the β-AlFeSi phase. Physical Chemistry Chemical Physics, 25(29), 20015-20025. Accès restreint
Letessier, J., Gheribi, A. E., Vanson, J.-M., Duguay, C., Rigollet, F., Ehret, N., Vicente, J., & Gardarein, J.-L. (2023). Thermal transport-porosity-microstructural characteristics: unpicking the relationship in ultra-porous -Al2O3 powder. International Journal of Heat and Mass Transfer, 205. Lien externe
Pelton, A. (2023). Thermodynamic Calculations Support a Rain Cloud Model of Chondrule Formation. ACS Earth and Space Chemistry, 7(2), 404-415. Lien externe
Pelton, A., Bale, C. W., Melançon, J., Eriksson, G., Hack, K., & to Baben, M. (2023). Applying constraints to chemical equilibrium calculations through the use of virtual elements. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 81, 7 pages. Lien externe
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2023). Undissolved alumina in dynamic chunks piercing through the bath-metal interface in industrial aluminum electrolysis cells. Chemical Engineering Science, 276, 118799 (14 pages). Lien externe
Rincent, C., Castillo-Sánchez, J.-R., Gheribi, A. E., & Harvey, J.-P. (2023). On the exploration of the melting behavior of metallic compounds and solid solutions via multiple classical molecular dynamics approaches: application to Al-based systems. Physical Chemistry Chemical Physics, 25(15), 10866-10884. Disponible
Siblani, M., Ollivier, M., Favergeon, L., & Chartrand, P. (2023). Experimental and thermodynamic modeling of Al2O3 corundum and TiO2 rutile structures forming on Ti-6Al-4V powder during oxidation. Acta Materialia, 256, 15 pages. Lien externe
Yang, H., Gallagher, R. C., Phan, A.-T., Chartrand, P., & Gheribi, A. E. (2023). A predictive approach for the compositional and temperature representation of thermal conductivity in multicomponent molten salt systems for advanced energy applications. Materials Today Energy, 38, 23 pages. Lien externe
Yang, H., Gallagher, R., Chartrand, P., & Gheribi, A. E. (2023). Development of a molten salt thermal conductivity model and database for advanced energy systems. Solar Energy, 256, 158-178. Lien externe
