Self-Diffusion of Indium and Bismuth in Molten In0.5Bi0.5 Alloy at Different Thermodynamic State

Abstract

This research work focuses on the theoretical study of atomic transport properties of molten In_0.5Bi_0.5 alloy at different thermodynamic states. Particularly, the self-diffusion coefficients (D_i) of indium (In) and bismuth (Bi) in In_0.5Bi_0.5 alloy are explored by utilizing Distribution Function Method, which is based on the statistical mechanical theory. Inter-ionic interactions and pair distribution function are two main components of this method. The inter-ionic interactions are modeled by using local pseudopotential known as Brettonet-Silbert model, while the pair distribution function is derived by the Ascroft –Langreth theory. The effective hard sphere diameter is the main ingredient to calculate the D_i, which is deduced from the thermodynamic perturbative theory called the Linearized Weeks-Chandler-Anderson method. The calculated results indicate that the value of D_i for In agrees well with the available experimental data in the low temperature region.

Bangladesh Journal of Physics, Vol. 29, Issue 2, pp. 51 – 58, December 2022