Abstract
A statistical thermodynamic analysis is given for a quasicrystalline liquid model in the binary systemM-X in which the atoms of each type are randomly mixed with vacancies on one of two sublattices of a structure with the stoichiometric formulaMX s. The relative, excess partial molar quantities and the equations relating the site-fraction of vacancies in each sublattice to the temperature and composition are obtained. The constraints upon the model parameters required to insure that the Schottky constant increases with temperature and that the site fractions of vacancies be less than unity below a specified temperature (above which the model is not physically meaningful) are also obtained. The excess Gibbs free enthalpies for the creation of the vacancies are assumed to depend linearly upon atom fraction and it is shown that this is the simplest model capable of generating an asymmetric liquidus line for the solid compound,MX. The chemical potentials for a more general model are given in an Appendix. An application is made to the Cd-Te system where a quantitative fit is obtained to the liquidus points, partial pressures along the CdTe 3-phase curve, and the CdTe-Te eutectic temperature with values of the liquid parameters that yield the proper enthalpy and entropy of mixing of the liquid at 50 at. pct and 1092 °C.
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Brebrick, R.F. Defective two sublattice model for a binary liquid. Metall Trans A 13, 1107–1114 (1982). https://doi.org/10.1007/BF02645490
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DOI: https://doi.org/10.1007/BF02645490