Theoretical study on site preference of Mn in B-containing Ni3Al alloys and elastic properties
文献类型：期刊论文
| 作者 | Liu, Lili1; Liu, Yajuan1; Gao, Tianfu1; Li, Chunmei1; Hou, Jieshan2; Huang, Renzhong1 |
| 刊名 | MATERIALS TODAY COMMUNICATIONS
 |
| 出版日期 | 2022-12-01 |
| 卷号 | 33页码:9 |
| 关键词 | Ni3Al alloys First-principles Site preference Elastic properties |
| DOI | 10.1016/j.mtcomm.2022.104816 |
| 通讯作者 | Huang, Renzhong(rzhuang09@163.com) |
| 英文摘要 | gamma '-Ni3Al is the key strengthening element of nickel-based superalloys. Adding alloying elements can improve elastic properties of Ni3Al. Therefore, investigating the occupancy behavior of alloying elements in Ni3Al is very important to unravel their influence on the elastic properties of Ni3Al. In this work, the first-principles plane wave pseudopotential method combined with Wagner-Schottky model is used to explore the occupancy behavior of Mn in B-doped gamma '- Ni3Al. It is shown that B always occupies the octahedral interstices of Ni3Al regardless of alloy composition and temperature. At 0 K, Mn has no obvious occupancy tendency in pure and B-doped Ni3Al. With the increase of temperature, the tendency of Mn occupying the Al sites increases in stoichiometric and Al -rich alloys while it decreases in Ni-rich alloys. B doping can suppress the occupancy reversal of Mn in Ni3Al induced by temperature. The analysis of elastic properties reveals that the ductility of alloys can be improved by B or/and Mn co-doping. In particular, synergistic alloying of B and Mn can evidently enhance the ductility of Ni3Al alloys. Such synergistic effect demonstrates promising potential applications of Ni-based superalloys in extreme mechanical environments by adjusting alloy composition and alloying elements. |
| 资助项目 | National Natural Science Foundation of China ; Basic Scientific Study Project of Education Department of Liaoning Province ; [12174269] |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000890648500003 |
| 出版者 | ELSEVIER |
| 资助机构 | National Natural Science Foundation of China ; Basic Scientific Study Project of Education Department of Liaoning Province |
| 源URL | [http://ir.imr.ac.cn/handle/321006/176155]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Huang, Renzhong |
| 作者单位 | 1.Shenyang Normal Univ, Coll Phys Sci & Technol, Shenyang 110034, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Lili,Liu, Yajuan,Gao, Tianfu,et al. Theoretical study on site preference of Mn in B-containing Ni3Al alloys and elastic properties[J]. MATERIALS TODAY COMMUNICATIONS,2022,33:9. |
| APA | Liu, Lili,Liu, Yajuan,Gao, Tianfu,Li, Chunmei,Hou, Jieshan,&Huang, Renzhong.(2022).Theoretical study on site preference of Mn in B-containing Ni3Al alloys and elastic properties.MATERIALS TODAY COMMUNICATIONS,33,9. |
| MLA | Liu, Lili,et al."Theoretical study on site preference of Mn in B-containing Ni3Al alloys and elastic properties".MATERIALS TODAY COMMUNICATIONS 33(2022):9. |
入库方式： OAI收割
来源：金属研究所
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