Estimation of Activity and Molar Excess Gibbs Energy of Binary Liquid Alloys Pb-Sn, Al-Sn and In-Zn from the Partial Radial Distribution Function Simulated by Ab Initio Molecular Dynamics
Tianao Zhang,
Xiumin Chen,
Yi Lu
et al.
Abstract:For the present, it is difficult to obtain thermodynamic data for binary liquid alloys by experimental measurements. In this study, the molecular dynamics processes of the binary liquid alloys Pb50-Sn50, Al50-Sn50, and In50-Zn50 were simulated by using the ab initio molecular dynamics (AIMD) principle, and their partial radial distribution functions (PRDF) were obtained at different simulation steps. Combined with the relevant binary parameters of the Molecular Interaction Volume Model (MIVM), Regular Solution… Show more
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