Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys
文献类型：期刊论文
| 作者 | Liu, Wei2; Lu, Xiao-Gang2,3; Hu, Qing-Miao1 |
| 刊名 | MATERIALS CHEMISTRY AND PHYSICS
 |
| 出版日期 | 2023 |
| 卷号 | 293页码:11 |
| 关键词 | High -entropy alloys Local lattice distortion Size factor Electronic factor Magnetism |
| ISSN号 | 0254-0584 |
| DOI | 10.1016/j.matchemphys.2022.126928 |
| 通讯作者 | Lu, Xiao-Gang(xglu@t.shu.edu.cn) ; Hu, Qing-Miao(qmhu@imr.ac.cn) |
| 英文摘要 | Quantifying the local lattice distortion (LLD) and exploring its correlation with material properties are of fundamental importance for the design of high entropy alloys (HEAs). In the present work, we expressed the LLD as the standard deviation of the bond lengths (SDBL). With which, we calculated the LLDs of the face-centered cubic (fcc) alloys, including the dilute and equiatomic binary TM-Co and TM-Ni (TM = transition metal) alloys and the equiatomic CrMnCoNiFe family HEAs by using a first-principles method. For the binary TM-Co and TM-Ni alloys with TM in the same period of the Chemical Element Periodic Table, the LLD and the number of valence electrons of TM exhibit roughly a parabolic relationship with a minimum in the middle of the period. For the HEAs involved in the present work, the composition-LLD-mechanical property relationship was constructed. It is found that the experimental yield strengths increase monotonically with the calculated LLDs, and to pursue a high LLD in the CoNi-based CrMnCoNiFe family alloys, one should increase Cr to an appropriate content and avoid introducing Fe. Furthermore, the influences of the atomic radius, electronegativity, and magnetism on the LLD were elucidated. The present work provides a comprehensive understanding of the LLD in both dilute and equiatomic FCC alloys. |
| 资助项目 | National Natural Science Foundation of China[51801119] |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000879334800005 |
| 出版者 | ELSEVIER SCIENCE SA |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/176580]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Lu, Xiao-Gang; Hu, Qing-Miao |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Titanium Alloy Lab, 72 Wenhua Rd, Shenyang 110016, Peoples R China 2.Shanghai Univ, Mat Genome Inst, 99 Shangda Rd, Shanghai 200444, Peoples R China 3.Shanghai Univ, Sch Mat Sci & Engn, 99 Shangda Rd, Shanghai 200444, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Wei,Lu, Xiao-Gang,Hu, Qing-Miao. Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys[J]. MATERIALS CHEMISTRY AND PHYSICS,2023,293:11. |
| APA | Liu, Wei,Lu, Xiao-Gang,&Hu, Qing-Miao.(2023).Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys.MATERIALS CHEMISTRY AND PHYSICS,293,11. |
| MLA | Liu, Wei,et al."Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys".MATERIALS CHEMISTRY AND PHYSICS 293(2023):11. |
入库方式： OAI收割
来源：金属研究所
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