Phase segregation and surface properties in liquid Ga-Tl alloys predicted by modified self-association model

Using the self-association model, the effect of temperature on the segregation tendency in the bulk and surface of liquid Ga-Tl alloys was investigated. The ratio of the numbers of two types of atoms in the cluster (n) and the interchange energy (W) in the self-association model were two crucial factors, but it was unknown how these values changed with temperature, which limited the model's capacity for prediction. The current investigation revealed that the exchange energy was linearly related to temperature and that the ratio of the two types of atoms in the cluster was temperature-independent, which was verified by the good agreement of the predicted thermophysical properties, miscibility gap, and surface properties with the available experimental data. This work enhances the theoretical explanation of the self-association model and provides a straightforward method for forecasting liquid immiscible alloys across a wide temperature spectrum.