| Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study | |
| Yu, Song ; Wang, Chong-Yu ; Yu, Tao ; Cai, Jun | |
| 2010-05-06 ; 2010-05-06 | |
| 关键词 | embedded atom method self-diffusion NiAl Ni3AIl POINT-DEFECTS ATOMISTIC SIMULATION ELASTIC CONSTANTS METALS ENERGETICS ENERGIES MODEL COAL FE Physics, Condensed Matter |
| 中文摘要 | 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. |
| 语种 | 英语 ; 英语 |
| 出版者 | ELSEVIER SCIENCE BV ; AMSTERDAM ; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/15116]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | Yu, Song,Wang, Chong-Yu,Yu, Tao,et al. Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study[J],2010, 2010. |
| APA | Yu, Song,Wang, Chong-Yu,Yu, Tao,&Cai, Jun.(2010).Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study.. |
| MLA | Yu, Song,et al."Self-diffusion in the intermetallic compounds NiAl and Ni3Al: An embedded atom method study".(2010). |
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