A model for accurate predictions of self-diffusivities in liquid metals, semimetals, and semiconductors

Abstract

By combining the modified Stokes-Einstein formula with the authors’ model for the melting-point viscosity, the authors present a model for accurate predictions of self-diffusivity of liquid metallic elements. The model is expressed in terms of well-known physical quantities and has been applied to various liquid metallic elements for which experimental data are available. The results of calculations show that agreement with experimental data is excellent; the uncertainties in the calculations of the self-diffusivities in various liquid metallic elements are equal to the uncertainties associated with experimental measurements. Also, the authors propose an expression for the temperature dependence of self-diffusivity in liquid metallic elements in terms of melting-point temperature. Using the model, self-diffusivity data are predicted for liquid iron, cobalt, nickel, titanium, aluminum, magnesium, silicon, and so forth.