Self-diffusion of Ni in the intermetallic compound Ni3Al

被引：14

作者：

Chen, Guo-Xiang ^{[1
]}

Wang, Dou-Dou ^{[2
]}

Zhang, Jian-Min ^{[3
]}

Huo, Han-Ping ^{[1
]}

Xu, Ke-Wei ^{[4
]}

机构：

[1] Xian Shiyou Univ, Sch Sci, Xian 710065, Shaanxi, Peoples R China

[2] AF Engn Univ AFEU1, Inst Telecommun Engn, Xian 710077, Shaanxi, Peoples R China

[3] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China

[4] Xian Jiaotong Univ, State Key Lab Mech Behav Mat, Xian 710049, Shaanxi, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2008年 / 403卷 / 19-20期

基金：

中国国家自然科学基金;

关键词：

Intermetallic compound; Ni3Al; Point defect; Self-diffusion; MAEAM;

D O I：

10.1016/j.physb.2008.05.023

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Combining molecular dynamic (MD) simulation with modified analytic embedded-atom method (MAEAM) potential, the defect formation, migration and activation energies of Ni self-diffusion in intermetallic compound Ni3Al have been calculated for five diffusion mechanisms, nearest-neighbor (NN) jump, next-nearest-neighbor (NNN) jump, straight [0 10] six-jump cycle (6JC), bent [0 10] 6JC and two concerted jumps. The results show that the Ni self-diffusion is dominated by the NN jump since it requires essentially the lowest migration or activation energy (Q = 2.511 eV) in the five diffusion mechanisms. This is consistent with the experimental results. Crown Copyright (c) 2008 Published by Elsevier B.V. All rights reserved.

引用

页码：3538 / 3542

页数：5

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