First-principles design of high strength refractory high-entropy alloys
文献类型：期刊论文
| 作者 | Liu, Pengjing1; Zhang, Hualei1,2; Hu, Qingmiao3; Ding, Xiangdong1; Sun, Jun1 |
| 刊名 | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
 |
| 出版日期 | 2024-03-01 |
| 卷号 | 29页码:3420-3436 |
| 关键词 | Multi -principal element alloys Solid solution strengthening Hardness and strength Elastic properties Anisotropy Ab initio calculations |
| ISSN号 | 2238-7854 |
| DOI | 10.1016/j.jmrt.2024.02.064 |
| 通讯作者 | Zhang, Hualei(hualei@xjtu.edu.cn) |
| 英文摘要 | Valence electron concentration (VEC) is widely accepted as an effective guideline for designing the mechanical properties of Ti-containing refractory high-entropy alloys (RHEAs). In the present work, a series of Ti-Zr-Nb-Ta and Ti-Zr-Nb-Mo RHEAs with body-centered-cubic (bcc) structure are carefully designed by tailoring their VEC through changing the alloying composition. The elastic properties and mechanical properties are systematically calculated by using a first-principles method. Comparison with available experimental data demonstrates that the employed approach accurately describes the VEC dependence of the elastic and mechanical properties of RHEAs. In general, the elastic stability, elastic properties, ideal shear strength, Vickers hardness, and yield strength increase, whereas Zener anisotropy decreases with increasing VEC. Among all the considered RHEAs, the most isotropic RHEA Ti30Zr30Nb20Mo20 has the best strength-ductility trade-off. Mo has a stronger solid solution strengthening effect than Ta. The higher strength associates with larger lattice distortion induced by increasing VEC. Both elastic stability and mechanical properties are related to the electronic density of states of the alloys. The present work sheds deep insight into the design of high-performance RHEAs through tailoring the VEC. |
| 资助项目 | National Natural Science Foundation of China[51871175] ; Opening Project of Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research[2021LHM-KFKT005] ; National Key Research and Development Program of China[2022YFB3505301] ; The 111 project 2.0[BP0618008] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001199468100001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Natural Science Foundation of China ; Opening Project of Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research ; National Key Research and Development Program of China ; The 111 project 2.0 |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zhang, Hualei |
| 作者单位 | 1.Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China 2.Xi An Jiao Tong Univ, Coll Stomatol, Key Lab Shaanxi Prov Craniofacial Precis Med Res, Xian 710049, Peoples R China 3.Chinese Acad Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Pengjing,Zhang, Hualei,Hu, Qingmiao,et al. First-principles design of high strength refractory high-entropy alloys[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,29:3420-3436. |
| APA | Liu, Pengjing,Zhang, Hualei,Hu, Qingmiao,Ding, Xiangdong,&Sun, Jun.(2024).First-principles design of high strength refractory high-entropy alloys.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,29,3420-3436. |
| MLA | Liu, Pengjing,et al."First-principles design of high strength refractory high-entropy alloys".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 29(2024):3420-3436. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。