Some Regularities of Formation of Continuous Solid Solutions from Molten Halide Melt Mixtures

摘要

Using the data of known phase diagrams of binary halide systems as training set, and some atomic parameters related to the free energy of liquid and solid phases in halide systems as features, pattern recognition method is applied to find the criterion of formation of continuous solid solution of these systems. Based on these computation works, a semi-empirical function, δ, as a rough parameter for the description of the strain induced by the isomorphous substitution of the ions of different sizes, has been proposed and used for the prediction of the formation of continuous solid solution in binary halide systems and for the prediction of the temperature and composition of the minimum point on the liquidus curves of the phase diagrams with continuous solid solutions. Four more recently published systems, including NiF_2-MgF_2 and MnF_2-ZnF_2 system, are used to confirm the reliability of mathematical models found in this work.