Simulation of Diffusion in an Amorphous Structure

Abstract

Universal single-atomic mechanism of diffusion suggested by the author is applied to the description of the diffusion in amorphous structures. This mechanism is the only one that gives possibility to control changes of the local atom environment during the time intervals comparable to mean time between two jumps of atoms. This enables us to take into consideration the dependence of the mutual atoms arrangements on the jump frequency spectrum of the system. Mathematical models of diffusion in an amorphous structure based on this mechanism are suggested. In this framework the influence of different factors distinguishing amorphous and crystalline structures was studied by computer simulation. The results of simulation shows that within these simplified models the experimental data on diffusion of atoms in amorphous alloys can be quantitatively explained.