材料科学
自扩散
航程(航空)
化学
扩散
嵌入原子模型
活化能
大气温度范围
表面扩散
分析化学(期刊)
物理化学
Atom(片上系统)
原子物理学
热力学
吸附
计算化学
分子动力学
物理
嵌入式系统
复合材料
营销
业务
色谱法
计算机科学
自助服务
作者
C.L. Liu,Jennifer M. Cohen,James B. Adams,Arthur F. Voter
出处
期刊:Surface Science
[Elsevier BV]
日期:1991-08-01
卷期号:253 (1-3): 334-344
被引量:542
标识
DOI:10.1016/0039-6028(91)90604-q
摘要
Abstract Self-diffusion of single adatoms on the (100), (110), (111), (311), and (331) surfaces of fcc metals is investigated with the embedded atom method (EAM). The general trend of activation energies for these surfaces is consistent with experimental observations. The calculated activation energies for Ni are in excellent agreement with experimental data, but those for Al and Pt differ from experimental values by up to a factor of 3. The estimated pre-exponential factors are in the range of 10 −4 −10 −2 cm 2 s , in good agreement with experiment.
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