A KINETIC LATTICE-GAS MODEL FOR THE TRIANGULAR LATTICE WITH STRONG DYNAMIC CORRELATIONS .1. SELF-DIFFUSION

被引:67
作者
JACKLE, J
KRONIG, A
机构
[1] Fakultat fur Phys., Konstanz Univ.
关键词
D O I
10.1088/0953-8984/6/38/005
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Self-diffusion in a lattice-gas model with two-vacancy assisted hopping on the triangular lattice is investigated, by both Monte Carlo simulation and analytical calculation. A very rapid decrease of the tracer-correlation factor and marked size effects in finite lattices give evidence for strong dynamic correlations in both space and time at high particle concentration. Although the decrease of the self-diffusion coefficient over 3.5 decades for concentrations up to c = 0.77 is best fitted by a power law (0.835 - c)(3.54), it is argued that the model does not have a sharp dynamical phase transition with a critical concentration lower than one. The argument is based on a proof of absence of permanently blocked particles in infinite lattices at all concentrations below one. The self-diffusion coefficient is calculated analytically within a pair approximation which gives good results for lower concentrations, but fails at the higher concentrations. The approximation is in qualitative agreement with the Monte Carlo data for the tracer-correlation factor at all concentrations for a variant of the model with one-vacancy assisted hopping, in which the dynamic correlations are less pronounced.
引用
收藏
页码:7633 / 7653
页数:21
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