Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations
文献类型：期刊论文
| 作者 | Jiang, Fushi1,2,3; Yu, Hui4; Hu, Qingmiao3; Wei, Hua3; Sun, Xiaofeng3; Dong, Chuang2 |
| 刊名 | SOLID STATE COMMUNICATIONS
 |
| 出版日期 | 2020-04-01 |
| 卷号 | 310页码:8 |
| 关键词 | Ni-based single crystal superalloys Site occupancy Lattice misfit Elasticities |
| ISSN号 | 0038-1098 |
| DOI | 10.1016/j.ssc.2020.113852 |
| 通讯作者 | Dong, Chuang(dong@dlut.edu.cn) |
| 英文摘要 | The site occupancy, lattice misfit and elastic modulus of Ni-based single crystal superalloys are investigated by combining the first principles exact muffin-tin orbital method and coherent-potential approximation. The site preference of alloying elements in gamma'-Ni3Al can be classified into four types: Co, Fe, Ru and Ir occupy Ni site or Cr, Mo, Re, Ti, V occupy Al anti-site (namely alloying elements occupy Al site while the removed Al occupy Ni site). Ti and V are the alloying elements which stabilize the gamma'-Ni3Al. The lattice misfit and the difference of elastic properties between gamma and gamma' phases are the causes of gamma' rafting, while the alloying elements will improve the differences. The effects of 1 at. % similar to 5 at. % alloying elements on lattice constant and misfit are studied, because of biggish atomic radius, Ir, Mo, Ti, Re and Ru increase the lattice constant of gamma/gamma' phase much faster, and the alloying elements have some impacts on the lattice misfit of gamma/gamma' phase. Re is the most remarkable alloying element which improves the elastic modulus of Ni-based superalloys. |
| 资助项目 | National Key Research and Development Program of China[2016YFB0101206] ; Natural Science Foundation of China[11674045] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000525944900006 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | National Key Research and Development Program of China ; Natural Science Foundation of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/138214]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Dong, Chuang |
| 作者单位 | 1.Inner Mongolia Univ Nationalities, Coll Phys & Elect Informat, Tongliao 028043, Peoples R China 2.Dalian Univ Technol, Key Lab Mat Modificat Laser Ion & Electron Beams, Minist Educ, Dalian 116024, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 4.Northeastern Univ, Sch Mat Sci & Engn, Shenyang 110819, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jiang, Fushi,Yu, Hui,Hu, Qingmiao,et al. Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations[J]. SOLID STATE COMMUNICATIONS,2020,310:8. |
| APA | Jiang, Fushi,Yu, Hui,Hu, Qingmiao,Wei, Hua,Sun, Xiaofeng,&Dong, Chuang.(2020).Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations.SOLID STATE COMMUNICATIONS,310,8. |
| MLA | Jiang, Fushi,et al."Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations".SOLID STATE COMMUNICATIONS 310(2020):8. |
入库方式： OAI收割
来源：金属研究所
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