Monte Carlo Simulation of Diffusion Process on Quasi-Lattice

Abstract

The characteristics of the diffusion process of quasicrystals are studied for one-dimensional and two-dimensional models by the conventional Monte Carlo simulation. For the one-dimensional model, the tracer diffusion coefficients of an isolated particle are calculated for the three types of lattice models, i.e., single crystal, binary solid solution and quasicrystal. The characteristics of diffusivity of the one-dimensional quasicrystal model are derived from comparisons among the three types of models. For the two-dimensional model, the characteristics of diffusivity of a quasicrystal are discussed in comparison with those of the honeycomb lattice. In particular, the concentration dependence of diffusivity on the two-dimensional Penrose lattice is calculated and the effects of interatomic potential are discussed.