Elastic properties of face-centered cubic, body-centered cubic and hexagonal high entropy alloys by MaxEnt approach
文献类型：期刊论文
| 作者 | Zheng, SM; Wang, SQ |
| 刊名 | MATERIALS RESEARCH EXPRESS
 |
| 出版日期 | 2018-07-01 |
| 卷号 | 5期号:7页码:- |
| ISSN号 | 2053-1591 |
| 关键词 | high-entropy alloys first-principles calculation maximum entropy elastic properties |
| DOI | 10.1088/2053-1591/aac67c |
| 英文摘要 | By first-principles calculation, we studied the elastic properties of face-centered cubic (FCC), body-centered cubic (BCC) and hexagonal high-entropy alloys (HEAs). A new model Maximum Entropy Approach (MaxEnt) was adopted. The lattice parameters, elastic constants, bulk moduli (B), shear moduli and Poisson's ratio were obtained and made a comparison with the available experimental data, the results show the accuracy of MaxEnt approach. Because of the periodic boundary condition, a smaller MaxEnt structure can not adequately represent the disordered state of HEA, a larger supercell would have been a lot closer to real disordered state of HEA. So the influence of supercell size on calculated results was studied. We found that supercell size shows significant influence on elastic properties, but the influence of magnetic is negligible. The calculated results of AlNb1.5 Ta0.5Ti1.5Zr0.5 show that MaxEnt has the potential to simulate HEAs with complex element concentrations. The results of (HfZrTaNbTi)B-2 demonstrate the cocktail effect of HEAs. |
| 学科主题 | Materials Science, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000437497900003 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/80120]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 1.[Zheng, Shu-Min 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 3.[Zheng, Shu-Min 4.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Anhui, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zheng, SM,Wang, SQ. Elastic properties of face-centered cubic, body-centered cubic and hexagonal high entropy alloys by MaxEnt approach[J]. MATERIALS RESEARCH EXPRESS,2018,5(7):-. |
| APA | Zheng, SM,&Wang, SQ.(2018).Elastic properties of face-centered cubic, body-centered cubic and hexagonal high entropy alloys by MaxEnt approach.MATERIALS RESEARCH EXPRESS,5(7),-. |
| MLA | Zheng, SM,et al."Elastic properties of face-centered cubic, body-centered cubic and hexagonal high entropy alloys by MaxEnt approach".MATERIALS RESEARCH EXPRESS 5.7(2018):-. |
入库方式： OAI收割
来源：金属研究所
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