| Impact of local chemical ordering on deformation mechanisms in single-crystalline CuNiCoFe high-entropy alloys: a molecular dynamics study | |
Shuang, Siyao; Liang, Yanxiang; Zhang, Xie; Yuan FP(袁福平) ; Kang, Guozheng; Zhang, Xu
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| Corresponding Author | Zhang, Xu([email protected]) |
| Source Publication | MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
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| 2023-12-01 | |
| Volume | 31Issue:8Pages:13 |
| ISSN | 0965-0393 |
| Abstract | High-entropy alloys (HEAs), composed of multiple constituent elements with concentrations ranging from 5% to 35%, have been considered ideal solid solution of multi-principal elements. However, recent experimental and computational studies have demonstrated that complex enthalpic interactions among constituents lead to a wide variety of local chemical ordering (LCO) at lower temperatures. HEAs containing Cu typically decompose by forming of Cu-rich phases during annealing, thus affecting mechanical properties. In this study, CuNiCoFe HEA was chosen as a model with a tendency for Cu segregation at low temperatures. The formation of LCO and its impact on the deformation behaviors in the single-crystalline CuNiCoFe HEA were studied via molecular dynamics simulations. Our results demonstrate that CuNiCoFe HEA decomposes by Cu clustering, in agreement with prior experimental and computational studies, owing to insufficient configuration entropy to compete against the mixing enthalpy at lower temperatures. A softening in ultimate stress in the LCO models was observed compared to the random solid solution models. The softening is due to the lower unstable stacking fault energy, which determines the nucleation event of dislocations, thereby rationalizing the dislocation nucleation in the Cu-rich regions and the softening of the overall ultimate strength in the LCO models. Additionally, the inhomogeneous FCC-BCC transformation is closely associated with concentration inhomogeneity. CuNiCoFe HEA with LCO can be regarded as composites, consisting of clusters with different properties. Consequently, concentration inhomogeneity induced by LCO profoundly impacts the mechanical properties and deformation behaviors of the HEA. This study provides insights into the effect of LCO on the mechanical properties of CuNiCoFe HEAs, which is crucial for developing HEAs with tailored properties for specific applications. |
| Keyword | high-entropy alloy local chemical order concentration inhomogeneity softening effect plasticity |
| DOI | 10.1088/1361-651X/ad04f3 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001090686000001 |
| WOS Keyword | SHORT-RANGE ORDER ; BEHAVIOR ; STRAIN ; CU ; DECOMPOSITION ; CRMNFECONI |
| WOS Research Area | Materials Science ; Physics |
| WOS Subject | Materials Science, Multidisciplinary ; Physics, Applied |
| Funding Project | This work was supported by the National Natural Science Foundation of China (Grant Nos. 11872321 and 12192214).[11872321] ; This work was supported by the National Natural Science Foundation of China (Grant Nos. 11872321 and 12192214).[12192214] ; National Natural Science Foundation of China |
| Funding Organization | This work was supported by the National Natural Science Foundation of China (Grant Nos. 11872321 and 12192214). ; National Natural Science Foundation of China |
| Classification | Q3 |
| Ranking | 3+ |
| Contributor | Zhang, Xu |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/93289 |
| Collection | 非线性力学国家重点实验室 |
| Recommended Citation GB/T 7714 | Shuang, Siyao,Liang, Yanxiang,Zhang, Xie,et al. Impact of local chemical ordering on deformation mechanisms in single-crystalline CuNiCoFe high-entropy alloys: a molecular dynamics study[J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,2023,31,8,:13.Rp_Au:Zhang, Xu |
| APA | Shuang, Siyao,Liang, Yanxiang,Zhang, Xie,袁福平,Kang, Guozheng,&Zhang, Xu.(2023).Impact of local chemical ordering on deformation mechanisms in single-crystalline CuNiCoFe high-entropy alloys: a molecular dynamics study.MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,31(8),13. |
| MLA | Shuang, Siyao,et al."Impact of local chemical ordering on deformation mechanisms in single-crystalline CuNiCoFe high-entropy alloys: a molecular dynamics study".MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 31.8(2023):13. |
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| Jp2023Fa327.pdf（3676KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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