Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
Thermodynamic re-assessment of binary Cr-Nb system down to 0 K
J. Yuxun, S. Zomorodpoosh, I. Roslyakova, L. Zhang.
CALPHAD, Elsevier Ltd., 62, 109-118, (2018)
Based on the recently proposed physically-based segmented model, the descriptions for Gibbs energy of pure Cr and Nb down to 0 K were first established. After that, a thermodynamic re-assessment of binary Cr-Nb system down to 0 K was then performed by taking into account all the experimental phase equilibria and thermodynamic properties. Especially, the experimental heat capacities of Cr2Nb at low temperatures ignored in previous assessments were utilized in the present assessment. The calculated phase equilibria and thermodynamic properties according to the presently obtained thermodynamic descriptions of binary Cr-Nb system agree well with most of the experimental data, and show better agreement than the previous assessments.
Keyword(s): Cr-Nb, Thermodynamics, CALPHAD, Heat capacity, 0K