Investigation of Physicochemical Property and Transport Coefficients of Liquid Aluminum (Al): Temperature Dependence Revisited

The physicochemical property (PHP) and transport coefficients (TC) of liquid aluminum (Al) have been studied based on how they change with temperature (T), using the microscopic first-order perturbation hard sphere (HS) theory of liquid metals. PHP involves surface tension (ST) and isothermal compressibility (χT) of the surface properties. On the other hand, TC properties such as shear viscosity (η) and diffusion (D) are investigated for the same footing. The effective hard-sphere diameter (σ), along with packing fraction (Ω), and the effective pair potential (Vij(r)) are the basic ingredients of the first-order perturbation microscopic theory in the present inquisition. To facilitate accurate computational analysis, these constituents are assessed utilizing a local pseudopotential and the linearized Weeks-Chandler-Andersen thermodynamic perturbation theory (LWCA). The calculated results, when juxtaposed with the existing experimental data and estimated theoretical values, indicate that the LWCA predicts a slight temperature-dependent divergence in the study of Al. The root cause of this deviation in the uncertainty level of the results for Al is examined, and possible reasons are explained.