| Phonon instability of a multi-principal element alloy | |
Wang XS(王晓实); Wang YJ(王云江)
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| Source Publication | PHYSICAL REVIEW B
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| 2023-05-30 | |
| Volume | 107Issue:18Pages:184116 |
| ISSN | 2469-9950 |
| Abstract | It is a common wisdom that the emergence of plasticity in crystalline solids is accompanied by the collapse of the softest vibrational mode. However, the recent advance in the multi-principal element alloys (MPEAs) complicates this scenario with essential local chemical inhomogeneity rendered by formation of the chemical short-range order (CSRO) via strong enthalpic interaction between specific atom pairs. Here we develop a set of computational metrics to characterize the features of phonons and the instability pathway in a prototypical ternary CoCrNi MPEA by atomistic simulations. There exists strong anharmonicity in MPEA quantified by a large Gruneisen parameter, which is modulated by the degree of CSRO. Both localized and extended vibrational modes exist at either low-or high-frequency vibrations, whereas extremely high-frequency modes prefer local vibration. Introduction of CSRO increases the phonon density of states at high frequency and reduces the degree of anharmonicity. Therefore, CSRO enhances elastic stability. Upon loading, phonon instability occurs via annihilation of the softest mode, akin to the scenario seen in conventional crystals. However, softening of several low-frequency modes occurs simultaneously in MPEA, and it is the cooperative softening of them that leads to the onset of plasticity. Amid phonon instability, essential variations in the Grueisen parameter and participation ratio are observed, signifying the correlation between vibrational and configurational space in such compositional complex alloys. The results of unusual phonon features could give insight into how the structure, elasticity, and plasticity interact in generic multi-component high-entropy alloys. |
| DOI | 10.1103/PhysRevB.107.184116 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001006505000001 |
| WOS Research Area | Materials Science ; Physics |
| WOS Subject | Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| Funding Organization | National Nat- ural Science Foundation of China [12072344] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences |
| Classification | 二类 |
| Ranking | 1 |
| Contributor | Wang, YJ (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92613 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | {Wang, Yun-Jiang} Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China, Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
| Recommended Citation GB/T 7714 | Wang XS,Wang YJ. Phonon instability of a multi-principal element alloy[J]. PHYSICAL REVIEW B,2023,107,18,:184116.Rp_Au:Wang, YJ (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
| APA | 王晓实,&王云江.(2023).Phonon instability of a multi-principal element alloy.PHYSICAL REVIEW B,107(18),184116. |
| MLA | 王晓实,et al."Phonon instability of a multi-principal element alloy".PHYSICAL REVIEW B 107.18(2023):184116. |
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| File Name/Size | DocType | Version | Access | License | ||
| Jp2023A215.pdf（2316KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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