Study of blocking effect for diffusion in disordered lattice

被引:1
作者
Hung, P. K. [1 ]
Ha, N. T. T. [1 ]
Hong, N. V. [1 ]
机构
[1] Hanoi Univ Sci & Technol, Dept Computat Phys, Hanoi, Vietnam
关键词
Diffusion; Disordered lattice; Monte-Carlo simulation; Blocking effect; MONTE-CARLO SIMULATIONS; INTERSTITIAL DIFFUSION; HYDROGEN DIFFUSION; TRACER DIFFUSION; AMORPHOUS METALS; SYSTEMS; COEFFICIENT; BEHAVIOR;
D O I
10.1016/j.jnoncrysol.2012.02.008
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
We present the result of Monte-Carlo simulation for diffusion in disordered lattices with two-level distribution of site and transition (saddle point) energies. The simulation has been conducted for both single- and many-particle cases. For single-particle case the simulation result is consistent with previous work. The blocking effect is analyzed through the correlation factor, averaged time between two consecutive jumps and diffusion coefficient. In many-particle case it was found T- and F-effects which affect in opposite direction the diffusivity. In particular, the diffusion shows a normal behavior for transition disordered lattice where the T-effect is always weaker than F-effect. For the site and combining disordered lattices the slight coverage dependence of diffusion coefficient and anomalous behavior also occur depending on the temperature and distribution of site and transition energies. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码:1141 / 1145
页数:5
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