TY - JOUR
T1 - Thermally activated diffusion along one-dimensional chains with energetic disorder
T2 - Analysis of computer simulation data
AU - Berlin, Yuri A.
AU - Siebbeles, Laurens D A
AU - Zharikov, Anatoly A.
N1 - Funding Information:
This work is supported by the Deutsche Forschungsgemeinschaft (SFB 377). YuAB acknowledges the DFG grant No.436 RUS 17/16/97.
PY - 1997/9/26
Y1 - 1997/9/26
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(97)00848-8
DO - 10.1016/S0009-2614(97)00848-8
M3 - Article
AN - SCOPUS:0031587260
SN - 0009-2614
VL - 276
SP - 361
EP - 370
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -