A molecular dynamics study of hydrogen-atom diffusion in fcc-metals

被引：0
|
作者：
N. A. Kulabukhova
G. M. Poletaev
M. D. Starostenkov
V. V. Kulagina
A. I. Potekaev
机构：
[1] I. I. Polzunov Altai State Technical University,
[2] V. D. Kuznetsov Siberian Physical-Technical Institute of the National Research Tomsk State University,undefined
来源：
Russian Physics Journal | 2012年 / 54卷
关键词：
molecular dynamics; metal; hydrogen; octahedral pore; tetrahedral pore; diffusion activation energy; diffusion coefficient; diffusion mechanism;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Using molecular dynamics, the characteristics of over-barrier hydrogen diffusion (specifically, activation energy and pre-exponential factor in the Arrhenius equation) in fcc-metals Pd, Ag, and Al are calculated. It is shown that the prevailing mechanism of the over-barrier hydrogen diffusion in fcc-metals consists in successive crossing of octahedral and tetrahedral spheres.
引用
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页码：1394 / 1400
页数：6
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