| Disentangling diffusion heterogeneity in high-entropy alloys | |
Wang YZ(王一舟)1,2; Wang YJ(王云江)1,2
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| Corresponding Author | Wang, Yun-Jiang([email protected]) |
| Source Publication | ACTA MATERIALIA
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| 2022-02-01 | |
| Volume | 224Pages:9 |
| ISSN | 1359-6454 |
| Abstract | Diffusion in the traditional single-crystalline solids is usually dynamically homogeneous characterized by a single-value or two characteristic activation energies. However, such a scenario breaks down at atomicscale in the recently advanced high-entropy alloys, which are of unique structural features with multiprincipal elements randomly occupying on lattice sites that induces strikingly local chemical heterogeneity. Here we uncover and decouple the possible dynamic heterogeneity accommodating the lattice diffusion in an archetypical high-entropy Cantor alloy CoCrFeMnNi via combined molecular statics, molecular dynamics, and a saddle-point sampling method. Wide distribution of vacancy formation energies and migration energies are revealed. We propose a single-vacancy and a vacancy-saturated model, respectively, to set up possible lower bound and upper bound of diffusivities. The models define a possible range of activation energies for the lattice diffusion in high-entropy alloys, which are comparable to experimental data. Finally, we argue that the conventional hypothesis of diffusion activation energy estimated from Arrhenius equation as the sum of the vacancy formation energy and migration energy becomes intractable in high-entropy alloys. These atomic-scale insights into diffusion heterogeneity, in contrast to the classical theory of homogeneous diffusion in conventional solid solutions, highlight the complexity of diffusion pathways and the intimate correlation between chemical, topological disorder and dynamic heterogeneity in the generic complex concentrated alloys.(c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Keyword | Diffusion Dynamic heterogeneity High-entropy alloy Molecular dynamics |
| DOI | 10.1016/j.actamat.2021.117527 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000789151600007 |
| WOS Keyword | SHORT-RANGE ORDER ; TRACER DIFFUSION ; SLUGGISH DIFFUSION ; MOLECULAR-DYNAMICS ; SELF-DIFFUSION ; MECHANISM ; COMPLEX ; CO ; RELAXATION ; COCRFENI |
| WOS Research Area | Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| Funding Project | National Natural Sci-ence Foundation of China[12072344] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[2017025] |
| Funding Organization | National Natural Sci-ence Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences |
| Classification | 一类 |
| Ranking | 1 |
| Contributor | Wang, Yun-Jiang |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/89103 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China |
| Recommended Citation GB/T 7714 | Wang YZ,Wang YJ. Disentangling diffusion heterogeneity in high-entropy alloys[J]. ACTA MATERIALIA,2022,224:9.Rp_Au:Wang, Yun-Jiang |
| APA | 王一舟,&王云江.(2022).Disentangling diffusion heterogeneity in high-entropy alloys.ACTA MATERIALIA,224,9. |
| MLA | 王一舟,et al."Disentangling diffusion heterogeneity in high-entropy alloys".ACTA MATERIALIA 224(2022):9. |
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| Jp2022FA533_2022_Dis（2039KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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