| Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations | |
Xie, Lu; Wu, Guangda; Liaw, Peter K.; Wang, Wenrui; Li, Dongyue; Peng Q(彭庆); Zhang, Jie ; Zhang, Yong
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| Corresponding Author | Xie, Lu([email protected]) ; Zhang, Yong([email protected]) |
| Source Publication | COMPUTATIONAL MATERIALS SCIENCE
 |
| 2024-01-05 | |
| Volume | 231Pages:12 |
| ISSN | 0927-0256 |
| Abstract | Material properties are substantially affected by the process during fabrication. To what extent for high-entropy alloys (HEAs), however, is still an open question. Herein, we investigated the effect of a temperature gradient on the solidification of a CoCrFeNi HEA using molecular dynamic simulations. The nucleation and crystal growth under gradient temperatures significantly differ from those under homogeneous temperatures. The HEA solidified by a temperature gradient forms a single and uniform face-centered cubic (FCC) crystalline phase, and the residual stresses in the solidified tissue are optimized. During the homogeneous solidification process, in addition to the FCC phase, the hexagonal close-packed (HCP) phase and a small amount of body-centered cubic (BCC) phase were also formed. When the temperature gradient is 100 K, the stress distribution in the solidification microstructure is relatively low. Increasing the temperature gradient can enhance the crystallinity of the solidification microstructure. While, an increase in cooling rate will lead to a reduction in the crystallinity of the solidification microstructure and an increase in internal stresses within the solidification microstructure. A slight short-range order (SRO) phenomenon present in both solidified structures. Our atomistic insights might be helpful in the fundamental understanding and material design of HEAs. |
| Keyword | High-entropy alloy Temperature gradient Stress distribution Cooling rate |
| DOI | 10.1016/j.commatsci.2023.112538 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001096556500001 |
| WOS Keyword | PHASE-FIELD SIMULATION ; FREE DENDRITE GROWTH ; COOLING RATE ; NUCLEATION ; MICROSTRUCTURE ; EVOLUTION ; BEHAVIOR ; CRYSTAL ; DESIGN ; BINARY |
| WOS Research Area | Materials Science |
| WOS Subject | Materials Science, Multidisciplinary |
| Funding Project | National Key R & D Program of China[2020YFA0405700] ; National Natural Science Foundation of China[12272378] ; National Natural Science Foundation of China[52101189] ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences[E1Z1011001] |
| Funding Organization | National Key R & D Program of China ; National Natural Science Foundation of China ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences |
| Classification | 二类 |
| Ranking | 3+ |
| Contributor | Xie, Lu ; Zhang, Yong |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/93359 |
| Collection | 非线性力学国家重点实验室 |
| Recommended Citation GB/T 7714 | Xie, Lu,Wu, Guangda,Liaw, Peter K.,et al. Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations[J]. COMPUTATIONAL MATERIALS SCIENCE,2024,231:12.Rp_Au:Xie, Lu, Zhang, Yong |
| APA | Xie, Lu.,Wu, Guangda.,Liaw, Peter K..,Wang, Wenrui.,Li, Dongyue.,...&Zhang, Yong.(2024).Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations.COMPUTATIONAL MATERIALS SCIENCE,231,12. |
| MLA | Xie, Lu,et al."Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations".COMPUTATIONAL MATERIALS SCIENCE 231(2024):12. |
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