Thermally activated diffusion along one-dimensional chains with energetic disorder: analysis of computer simulation data

被引:14
作者
Berlin, YA [1 ]
Siebbeles, LDA [1 ]
Zharikov, AA [1 ]
机构
[1] DELFT UNIV TECHNOL,INTERFAC REACTOR INST,RADIAT CHEM DEPT,NL-2629 JB DELFT,NETHERLANDS
关键词
D O I
10.1016/S0009-2614(97)00848-8
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Recent results on the computer simulations of thermally activated diffusion along one-dimensional chains with energetic disorder are analyzed theoretically. The analysis has enabled us to assign the numerical data to the particular stage of the diffusion process and to approximate the temporal behavior of the mean-square displacement during this stage by a simple analytical expression. Our results suggest a universal time-dependence of the relative diffusion coefficient at very low temperatures and provide the explicit form of this dependence for a wide class of distributions used for the description of energetic disorder. (C) 1997 Elsevier Science B.V.
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页码:361 / 370
页数:10
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