| Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study |
| S. Yu; C. Y. Wang; T. Yu; J. Cai
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| 2007
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| 发表期刊 | Physica B-Condensed Matter
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| ISSN | 0921-4526
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| 卷号 | 396期号:1-2页码:138-144 |
| 摘要 | The self-diffusion in NiAl and Ni3Al are investigated by the molecular dynamics (MD) with an analytical embedded atom method (EAM) model which is fitted by the basic physical properties of pure constituents nickel (Ni) and aluminum (Al), and the characteristic properties of NiAl and Ni3Al, including the equilibrium lattice constant, the elastic constants, the cohesive energy, and the effective defect formation energies, are calculated. Furthermore, in NiAl and Ni3Al, the activation energy and migration energy of Ni atom and Al atom are also calculated, respectively. The present calculations are in agreement with the experimental value and the theoretical results obtained from other authors. (c) 2007 Elsevier B.N. All rights reserved. |
| 部门归属 | cent iron & steel res inst, dept funct mat, beijing 100081, peoples r china. tsing hua univ, dept phys, beijing 100084, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;yu, s (reprint author), cent iron & steel res inst, dept funct mat, 76 xueyuan nanlu, beijing 100081, peoples r china;yusong_1230@yahoo.com.cn
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| 关键词 | Embedded Atom Method
Self-diffusion
Nial
Ni3ail
Point-defects
Atomistic Simulation
Elastic Constants
Metals
Energetics
Energies
Model
Coal
Fe
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| URL | 查看原文
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| WOS记录号 | WOS:000247506500024
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/34012
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| 专题 | 中国科学院金属研究所
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推荐引用方式
GB/T 7714 |
S. Yu,C. Y. Wang,T. Yu,et al. Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study[J]. Physica B-Condensed Matter,2007,396(1-2):138-144.
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| APA |
S. Yu,C. Y. Wang,T. Yu,&J. Cai.(2007).Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study.Physica B-Condensed Matter,396(1-2),138-144.
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| MLA |
S. Yu,et al."Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study".Physica B-Condensed Matter 396.1-2(2007):138-144.
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