Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study
文献类型：期刊论文
| 作者 | Yang, Tao1; Yu, Wei-Yuan1; Xue, Hong-Tao1,3; Yang, Yan-Hong2; Tang, Fu-Ling1; Zhang, Yong3; Ren, Jun-Qiang1; Lu, Xue-Feng1; Li, Jun-Chen1 |
| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2024-09-01 |
| 卷号 | 688页码:9 |
| 关键词 | Rare-earth Al alloys Substitution formation energy gamma-Al/gamma '-Al3Sc phase interfaces Interfacial segregation First-principles calculation |
| ISSN号 | 0921-4526 |
| DOI | 10.1016/j.physb.2024.416134 |
| 通讯作者 | Xue, Hong-Tao(xueht@lut.edu.cn) ; Yang, Yan-Hong(yhyang@imr.ac.cn) |
| 英文摘要 | Al-Sc alloys have high strength, plasticity, and corrosion resistance, making them ideal lightweight materials for the aerospace and automotive industries. However, the practical application of these alloys is constrained by the high cost of Sc. We investigate the substitution potential of lower -cost rare-earth elements X (X = La, Ce and Er) for the expensive Sc in Al-Sc alloys through first -principles calculations. Assessing substitution formation energy, substitutional segregation, and their impact on (001), (110), and (111) gamma-Al/gamma '-Al3Sc interfaces, results highlight Er as the most promising candidate among the three, thermodynamically replacing Sc in Al3Sc precipitates. Er atoms selectively segregate to gamma-Al/gamma '-Al3Sc interfaces, enhancing stability by reducing interface energies. The morphology of precipitates undergoes a transition from a truncated cuboctahedron to an {111} -faceted octahedron. Increased Er segregation further bolsters interfacial fracture strength, attributed to segregation -induced charge accumulation. Our work could offer reference for the design of rare-earth Al alloys with low-cost and high-performance. |
| 资助项目 | National Key Research and Development Program of China[2017YFA0700704] ; National Natural Science Foundation of China[12204210] ; Guangxi Science and Technology Program[GUI-KEAA22068084] ; Chinese Academy of Sciences-Institute of Metal Research[IMR-FWHT-202304-1012] ; Major Project of Science and Technology of Gansu Province[22ZD6GA008] ; Local Science and Technology Development Fund Projects Guided by the Central Government of China[23ZYQB300] ; Western Light Talent Culture Project |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001248207300001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Key Research and Development Program of China ; National Natural Science Foundation of China ; Guangxi Science and Technology Program ; Chinese Academy of Sciences-Institute of Metal Research ; Major Project of Science and Technology of Gansu Province ; Local Science and Technology Development Fund Projects Guided by the Central Government of China ; Western Light Talent Culture Project |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Xue, Hong-Tao; Yang, Yan-Hong |
| 作者单位 | 1.Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Superalloys Div, Shenyang 110016, Peoples R China 3.Nanjing Univ Sci & Technol, Herbert Gleiter Inst Nanosci, Sch Mat Sci & Engn, Nanjing 210094, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Tao,Yu, Wei-Yuan,Xue, Hong-Tao,et al. Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study[J]. PHYSICA B-CONDENSED MATTER,2024,688:9. |
| APA | Yang, Tao.,Yu, Wei-Yuan.,Xue, Hong-Tao.,Yang, Yan-Hong.,Tang, Fu-Ling.,...&Li, Jun-Chen.(2024).Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study.PHYSICA B-CONDENSED MATTER,688,9. |
| MLA | Yang, Tao,et al."Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study".PHYSICA B-CONDENSED MATTER 688(2024):9. |
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来源：金属研究所
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