Numerical simulation of precipitation kinetics in multicomponent alloys
文献类型：期刊论文
| 作者 | Xu, K.4; Liu, J. D.3; van der Zwaag, S.2; Xu, W.1; Li, J. G.3 |
| 刊名 | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
 |
| 出版日期 | 2022-11-20 |
| 卷号 | 128页码:98-106 |
| ISSN号 | 1005-0302 |
| 关键词 | Precipitation kinetics Thermodynamics Multicomponent PSD Voronoi construction |
| DOI | 10.1016/j.jmst.2022.01.044 |
| 通讯作者 | Liu, J. D.(jdliu@imr.ac.cn) ; Li, J. G.(jgli@imr.ac.cn) |
| 英文摘要 | A universal numerical model based on the particle size distribution (PSD) approach has been developed for the simulation of precipitation kinetics in multicomponent alloys during isothermal ageing. Nucleation was implemented utilizing the classical nucleation theory (CNT). Growth and coarsening were modeled by a single growth kinetics equation, which is constructed based on the interfacial diffusion flux balance and the capillarity effect. Only partial off-diagonal terms in the diffusion matrix (diffusion of individual components in the matrix) were taken into account in the calculations to minimize the computational cost while coupling with CALPHAD to extract thermodynamics equilibrium around the interface. A new feature of the model is the incorporation of a more realistic spatial site distribution via a Voronoi con-struction in the characteristic cell, for the purpose of modifying the diffusion distance. Computational predictions of the precipitate dimensions and the precipitation kinetics were compared with the atom probe tomography (APT) measurements on ternary Ni-Al-Cr alloys isothermally aged at 873 K. It is found that the temporal evolution of the dimensions and composition of the precipitates is well captured, as is the dependence on changes in the alloy composition. The new modification with Voronoi construction demonstrates that the overall precipitation kinetics depends on the density and the spatial site distribu-tion of precipitates. The ability to handle sophisticated alloy chemistries by quantitative equations, the compositional sensitivity of microstructural characteristics emerging from the simulation results, and the ability to visualize the spatial distribution of precipitates make the work very promising for multicompo-nent alloy design and optimization. (c) 2022 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology. |
| 资助项目 | National Natural Science Foundation of China[51871221] ; National Key R&D Program of China[2020YFA0714900] ; National Science and Technology Major Project[J2019-VI-0023-0139] ; National Science and Technology Major Project[J2019-VII-0 004-0144] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| 出版者 | JOURNAL MATER SCI TECHNOL |
| WOS记录号 | WOS:000810753100001 |
| 资助机构 | National Natural Science Foundation of China ; National Key R&D Program of China ; National Science and Technology Major Project |
| 源URL | [http://ir.imr.ac.cn/handle/321006/174359]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Liu, J. D.; Li, J. G. |
| 作者单位 | 1.Northeastern Univ, State Key Lab Rolling & Automat, Shenyang 110819, Peoples R China 2.Delft Univ Technol, Fac Aerosp Engn, Novel Aerosp Mat Grp, Kluyverweg 1, NL-2629 HS Delft, Netherlands 3.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 4.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, K.,Liu, J. D.,van der Zwaag, S.,et al. Numerical simulation of precipitation kinetics in multicomponent alloys[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2022,128:98-106. |
| APA | Xu, K.,Liu, J. D.,van der Zwaag, S.,Xu, W.,&Li, J. G..(2022).Numerical simulation of precipitation kinetics in multicomponent alloys.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,128,98-106. |
| MLA | Xu, K.,et al."Numerical simulation of precipitation kinetics in multicomponent alloys".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 128(2022):98-106. |
入库方式： OAI收割
来源：金属研究所
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