Items where Research Center is "CRCT - Centre for Research in Computational Thermochemistry"

B

Benmore, C. J., Shi, C., Alderman, O. L. G., Harvey, J.-P., Lipke, D. W., & Weber, R. J. K. (2025). Structure–property relations of binary ferrite melts. Journal of Applied Physics, 137(8), 085903 (20 pages). Available

Bertrand, M., Brenner Johnson, N., Jin, L., Bates, A., Chartrand, P., Torres-Castro, L., & Dollé, M. (2025). Unveiling the thermite-driven lithium fire ignition in solid-state batteries. Joule, 101953. External link

K

Khodabandehloo, M., Shabanian, J., Harvey, J.-P., & Chaouki, J. (2025). A Novel Microwave Heating-Assisted Reactor for Industrial-Scale Syngas Production. Renewable Energy, 252, 123453 (14 pages). External link

L

Lafaye, P., Jofré, J., & Harvey, J.-P. (2025). Thermodynamic behavior of the τ₁₁-Al₄ Fe₁.₇Si solid solutions from 0 K to 1270 K. Journal of Solid State Chemistry, 346, 125257 (8 pages). Available

P

Poëti, K., Castillo-Sánchez, J.-R., Mahue, U. M. D., Rioux-Frenette, V., Squalli Houssaini, Z., Oishi, K., & Harvey, J.-P. (2025). The power of computational thermochemistry in high-temperature process design and optimization: Part 2 – Pyrometallurgical process modeling using FactFlow. Calphad, 88, 102772 (18 pages). Available

S

Siblani, M. M., Ollivier, M., Chartrand, P., & Favergeon, L. (2025). Modeling the Oxidation Kinetics of Ti-6Al-4 V Spherical Powder at High Temperatures. High Temperature Corrosion of Materials, 102(4), 32 pages. External link

W

Wang, K., & Chartrand, P. (2025). Correction: A two-sublattice-modified quasichemical model in the distinguishable-quadruplet approximation for multiconfiguration short-range ordering in metallurgical melts. Metallurgical and Materials Transactions B, 57, 933-933. External link

Wang, K., & Chartrand, P. (2025). Extension of the modified quasichemical model in the distinguishable-pair approximation to multicomponent solutions via an on-the-fly interpolation framework. Calphad, 90, 102852 (10 pages). External link

Wang, K., & Chartrand, P. (2025). A two-sublattice-modified quasichemical model in the distinguishable-quadruplet approximation for multiconfiguration short-range ordering in metallurgical melts. Metallurgical and Materials Transactions B, 57, 917-932. External link

Y

Yang, H., Thu Phan, A., Gheribi, A. E., & Chartrand, P. (2025). Extending the kinetic theory-based thermal conductivity model to reciprocal molten salt mixtures with short-range ordering via the Modified Quasi-chemical Model in the Quadruplet Approximation. Solar Energy Materials and Solar Cells, 292, 113724 (16 pages). Available