| First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W) |
| M. Chen; C. Y. Wang
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| 2010
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| 发表期刊 | Journal of Applied Physics
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| ISSN | 0021-8979
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| 卷号 | 107期号:9 |
| 摘要 | The alloying effect of 3d transition metal elements on the lattice constants and their site preferences in gamma'-Co(3)(Al, W) are systematically studied based on a supercell model. The lattice constant of the gamma' phase is modified by the addition of 3d transition metal elements, and it increases in the order of Fe < Ni < Mn < Cr < V < Ti. Four types of site preference are identified for these 3d elements in gamma' phase by analyzing the binding energy and the impurity formation energy. Ni, Fe, V, and Ti are recognized to stabilize the gamma' phase. Their distinct alloying effect is further revealed by investigating the impurity-induced charge density difference and the partial density of states. These results are in agreement with the experimental data ever reported. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3319650] |
| 部门归属 | [chen, min; wang, chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang, chong-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wang, cy (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china;cywang@mail.tsinghua.edu.cn
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| 关键词 | Augmented-wave Method
Co-base Superalloy
Electronic-structure
Site
Preference
Ni3al
Phase
Temperature
Stability
Magnetism
Alloys
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| URL | 查看原文
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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/321006/31028
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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 |
M. Chen,C. Y. Wang. First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)[J]. Journal of Applied Physics,2010,107(9).
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| APA |
M. Chen,&C. Y. Wang.(2010).First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W).Journal of Applied Physics,107(9).
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| MLA |
M. Chen,et al."First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)".Journal of Applied Physics 107.9(2010).
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