Estimation of the Self and Mutual Diffusion Coefficients in Molten CdTe by a Molecular Dynamics Technique

Abstract

Diffusion processes play an important role during semiconductor material production by crystallization techniques. The experimental determination of diffusion coefficients becomes difficult due to convection, and therefore diffusion processes are being studied in microgravity. However, measurement in space is rather restricted due to the large cost. Thus, it is attractive to estimate diffusion coefficients by the computational techniques of statistical physics.