| Influence of magnetic properties on elemental vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9 high-entropy alloy | |
| Ibrahim, Shehu Adam; Shi, Tan; Su, Zhengxiong; Liu, Chenguang; Peng Q(彭庆); Lu, Chenyang | |
| Corresponding Author | Shi, Tan(tan.shi0122@xjtu.edu.cn) ; Lu, Chenyang(chenylu@xjtu.edu.cn) |
| Source Publication | AIP ADVANCES
 |
| 2024-04-01 | |
| Volume | 14Issue:4Pages:8 |
| Abstract | Randomly mixing ferromagnetic (FM) and antiferromagnetic (AFM) elements in high-entropy alloys (HEAs) can create fluctuating local magnetic moments that influence the energetics of point defects. In this study, we employed first-principles calculations to investigate the influence of magnetic properties on vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9, alongside equiatomic NiCoFeCrMn alloy. By examining structures with paramagnetism, ferromagnetism, and no spin polarization, our study reveals significant impacts of magnetic interactions on vacancy migration barriers, potentially altering the sequence of elemental migration energies if overlooked. In Fe49.5Mn29.4Co10.1Cr10.1C0.9, the order of vacancy migration barriers is Co > Fe > Mn > Cr across all magnetic states, suggesting the dominant roles of atomic properties and inherent chemical bonding. Conversely, the NiCoFeCrMn HEA exhibits a pronounced magnetic state-dependent elemental migration energy order, indicating that magnetic interactions significantly influence vacancy migration behavior in this alloy. In addition, while FM elements generally exhibit higher migration barriers, AFM elements display lower barriers in the investigated Cantor alloys, with notable variations between the studied compositions. These findings underscore the critical role of magnetism in accurate migration energy calculations, which is important for studying chemically biased diffusion and radiation-induced segregation in HEAs. |
| DOI | 10.1063/5.0205517 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001206597400006 |
| WOS Keyword | SIMULATION ; DEFECT |
| WOS Research Area | Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| Funding Project | National Natural Science Foundation of Chinahttps://doi.org/10.13039/501100001809[12305290] ; National Natural Science Foundation of Chinahttps://doi.org/10.13039/501100001809[12205248] ; National Natural Science Foundation of China[2021M702583] ; China Postdoctoral Science Foundation ; Innovative Scientific Program of China National Nuclear Corporation[E1Z1011001] ; Fundamental Research Funds for the Central Universities |
| Funding Organization | National Natural Science Foundation of Chinahttps://doi.org/10.13039/501100001809 ; National Natural Science Foundation of China ; China Postdoctoral Science Foundation ; Innovative Scientific Program of China National Nuclear Corporation ; Fundamental Research Funds for the Central Universities |
| Classification | Q4 |
| Ranking | 3+ |
| Contributor | Shi, Tan ; Lu, Chenyang |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/95269 |
| Collection | 非线性力学国家重点实验室 |
| Recommended Citation GB/T 7714 | Ibrahim, Shehu Adam,Shi, Tan,Su, Zhengxiong,et al. Influence of magnetic properties on elemental vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9 high-entropy alloy[J]. AIP ADVANCES,2024,14,4,:8. |
| APA | Ibrahim, Shehu Adam,Shi, Tan,Su, Zhengxiong,Liu, Chenguang,彭庆,&Lu, Chenyang.(2024).Influence of magnetic properties on elemental vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9 high-entropy alloy.AIP ADVANCES,14(4),8. |
| MLA | Ibrahim, Shehu Adam,et al."Influence of magnetic properties on elemental vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9 high-entropy alloy".AIP ADVANCES 14.4(2024):8. |
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