Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations
文献类型：期刊论文
| 作者 | Chen, Shu-Ming5,6; Ma, Ze-Jun4; Qiu, Shi3; Zhang, Lian-Ji2; Zhang, Shang-Zhou1; Yang, Rui6; Hu, Qing-Miao6 |
| 刊名 | ACTA MATERIALIA
 |
| 出版日期 | 2022-02-15 |
| 卷号 | 225页码:16 |
| 关键词 | Phase decomposition High entropy alloy First-principles calculations Thermodynamic modeling Strengthening |
| ISSN号 | 1359-6454 |
| DOI | 10.1016/j.actamat.2021.117582 |
| 通讯作者 | Hu, Qing-Miao(qmhu@imr.ac.cn) |
| 英文摘要 | Phase decomposition influences significantly the mechanical properties of high entropy alloys (HEAs). Prediction of the phase decomposition of HEA is greatly hindered by the hyper-dimensional composition space of the alloys. In the present work, we propose to represent the HEAs as various pseudo-binary alloys of which the temperature dependent free energies as functions of compositions may be readily calculated by using first-principles methods in combination with thermodynamic models. With the calculated free energies, the phase diagrams of the pseudo-binary alloys may be constructed and the phase decomposition can be predicted. This procedure is applied to Hf-Nb-Ta-Ti-Zr alloy with body-centered cubic (BCC) structure. We predict that the equiatomic HfNbTaTiZr HEA suffers from phase decomposition below critical temperature of 1298 K. The HEA decomposes most favorably to BCC NbTa-rich and HfZrrich phases. The BCC HfZr-rich phase transfers to a hexagonal close-packed structure (HCP) phase at low temperature. The predicted compositions of the decomposed phases are in good agreement with experiment and Thermal-Calc modeling. Furthermore, the effect of the phase decomposition on the strength of the HEA is evaluated by considering the solid-solution and precipitation strengthening mechanisms. The precipitation strengthening effect is stronger than the solid-solution strengthening at the low annealing temperature but becomes weaker at high annealing temperature. (c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| 资助项目 | Natural Science Foun-dation of China[91860107] ; Natural Science Foun-dation of China[52071315] ; National Science and Technology Major Project[J2019-VI-0012-0126] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000793150200006 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | Natural Science Foun-dation of China ; National Science and Technology Major Project |
| 源URL | [http://ir.imr.ac.cn/handle/321006/173986]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Hu, Qing-Miao |
| 作者单位 | 1.Yantai Univ, Inst Adv Studies Precis Mat, Yantai 264005, Peoples R China 2.Zhengzhou Univ, Div Mat Sci & Engn, Zhengzhou 450000, Peoples R China 3.Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China 4.South China Univ Technol, Sch Comp Sci & Engn, Guangzhou 510006, Peoples R China 5.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 6.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Shu-Ming,Ma, Ze-Jun,Qiu, Shi,et al. Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations[J]. ACTA MATERIALIA,2022,225:16. |
| APA | Chen, Shu-Ming.,Ma, Ze-Jun.,Qiu, Shi.,Zhang, Lian-Ji.,Zhang, Shang-Zhou.,...&Hu, Qing-Miao.(2022).Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations.ACTA MATERIALIA,225,16. |
| MLA | Chen, Shu-Ming,et al."Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations".ACTA MATERIALIA 225(2022):16. |
入库方式： OAI收割
来源：金属研究所
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