Generalized stacking fault energies of intermetallic compounds AlSc and MgSc at different pressures using first principles
文献类型：期刊论文
| 作者 | Li, Shaorong4; Wang, Hao3; Xia, Zhiguang1,2; Wang, Chengyue4; Qiao, Dongwei4; Zhang, Chengfu4; Zhang, Lin4; Cao, Chuhan4; Wu, Huan4 |
| 刊名 | APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
 |
| 出版日期 | 2024-08-01 |
| 卷号 | 130期号:8页码:10 |
| 关键词 | First principles Pressure Generalized stacking fault energy AlSc MgSc |
| ISSN号 | 0947-8396 |
| DOI | 10.1007/s00339-024-07680-8 |
| 英文摘要 | Intermetallic compounds with B2 structure are used in aviation and aerospace, but lower ductilities are required for these materials. Here, to better understand the properties of this class of compound, the lattice constants of the intermetallic compounds AlSc and MgSc with B2 structure were calculated via first-principles methods, along with the their phase transition pressures. The generalized stacking energy curves of AlSc and MgSc at different pressures were also calculated, and the generalized stacking energy surface was fitted. The results reveal that, under pressure, < 111>{110} remains the sliding system of B2-type AlSc and MgSc. As the pressure increases, the antiphase boundary energies and unstable stacking fault energies of the two materials in all directions gradually increase. This means that the more energy required for dislocation in the process of sliding, the lower the ductility of the material. Comparing the phase change pressures of the two materials, it can be seen that AlSc has greater compressive resistance than MgSc, but for MgSc, at pressures lower than the phase change pressure, its ductility is greater than that of AlSc. |
| 资助项目 | National Natural Science Foundation of China[12174040] ; National Natural Science Foundation of China[11404257] |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001262567300003 |
| 出版者 | SPRINGER HEIDELBERG |
| 资助机构 | National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China |
| 源URL | [http://210.72.145.45/handle/361003/14495]  |
| 专题 | 国家授时中心_量子频标研究室 |
| 通讯作者 | Li, Shaorong; Xia, Zhiguang |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Astron & Space Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Natl Time Serv Ctr, Key Lab Time & Frequency Primary Stand, Xian 710600, Shaanxi, Peoples R China 3.Taibai Vocat & Tech Educ Ctr, Baoji 721600, Shaanxi, Peoples R China 4.Xian Univ Sci & Technol, Xian 710054, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Shaorong,Wang, Hao,Xia, Zhiguang,et al. Generalized stacking fault energies of intermetallic compounds AlSc and MgSc at different pressures using first principles[J]. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING,2024,130(8):10. |
| APA | Li, Shaorong.,Wang, Hao.,Xia, Zhiguang.,Wang, Chengyue.,Qiao, Dongwei.,...&Wu, Huan.(2024).Generalized stacking fault energies of intermetallic compounds AlSc and MgSc at different pressures using first principles.APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING,130(8),10. |
| MLA | Li, Shaorong,et al."Generalized stacking fault energies of intermetallic compounds AlSc and MgSc at different pressures using first principles".APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING 130.8(2024):10. |
入库方式： OAI收割
来源：国家授时中心
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