| Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method |
| S. Yu; C. Y. Wang; T. Yu
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| 2007
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| 发表期刊 | Acta Physica Sinica
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| ISSN | 1000-3290
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| 卷号 | 56期号:6页码:3212-3218 |
| 摘要 | An analytical embedded atom method model of Ni-Al-Re system is constructed on the basis of the physical properties of pure constituents Ni, Al, and Re. The characteristic properties of Ni3Al, including equilibrium lattice constants elastic constants, cohesive energy, vacancy formation energy, and antisite defect formation energy, are calculated. The types of point defects in Ni3Al are discussed, and it is shown that the point defect is the antisite defect in the nonstoichiometric case. Furthermore, the occupation site of Re in Ni3Al is analyzed, the clustering of Re in Ni3Al and Ni are also studied. The calculation results show that the occupational site of Re is the Al site, and that the growth tendency of Re cluster becomes weak when the size of Re cluster reaches to 11 angstrom. The present calculations are in agreement with the experiment and the theoretical results obtained by other authors. |
| 部门归属 | cent iron & steel res inst, beijing 100081, peoples r china. tsing hua univ, dept phys, beijing 100084, peoples r china. int ctr mat phys, shenyang 110016, peoples r china.;yu, s (reprint author), cent iron & steel res inst, beijing 100081, peoples r china;yusong107@yahoo.com.cn
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| 关键词 | Embedded Atom Method
Ni3al
Re
Occupational Site
Cluster
Molecular-dynamics Simulation
Grain-boundary
Metals
Superalloys
Energies
Alloys
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| URL | 查看原文
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| WOS记录号 | WOS:000247302500030
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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/321006/34011
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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. Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method[J]. Acta Physica Sinica,2007,56(6):3212-3218.
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| APA |
S. Yu,C. Y. Wang,&T. Yu.(2007).Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method.Acta Physica Sinica,56(6),3212-3218.
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| MLA |
S. Yu,et al."Study of the point defect, Re site, and Re cluster in Re embedded Ni3Al using the embedded atom method".Acta Physica Sinica 56.6(2007):3212-3218.
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