期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 430, 期 1-2, 页码 102-106出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2006.04.052
关键词
intermetallic compound; NiAl; point defect; self-diffusion; MAEAM
Combining molecular dynamic (MD) simulation with modified analytic embedded-atom method (MAEAM) potential, the formation, migration and activation energies of Ni self-diffusion in intermetallic compound NiAl have been calculated for five diffusion mechanisms, NNN jump, [110] 6JC, straight [100] 6JC, bent [ 10 0] WC and triple-defect diffusion. The results show that the Ni self-diffusion is dominated by the triple-defect diffusion mechanism since it requires essentially the lowest migration or activation energy (Q = 2.769 eV) in the five diffusion mechanisms. This is consistent with the conclusion of Frank et al. (c) 2006 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据