Molecular dynamics simulation of the heterostructure of the CoCrFeMnNi high entropy alloy under an impact load

IF 1.9 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Modelling and Simulation in Materials Science and Engineering Pub Date : 2023-11-10 DOI:10.1088/1361-651x/ad084d

Xiang Chen, Lei Liu, Rongjian Gao, Sheng Lu, Tao Fu

引用次数: 0

Abstract

Abstract There have been numerous experimental studies conducted on the CoCrFeMnNi high entropy alloys (HEAs) at the macroscopic level. However, it is challenging to quantitatively analyze the shock behavior of the HEAs from a microscopic level through experiments. In this study, we construct single-crystal, twin-crystal, multilayer, hole, and two-phase structures of the CoCrFeMnNi HEAs using the molecular dynamics method. The effects of impact loading on the microscopic level are investigated for CoCrFeMnNi HEAs with different structures. By analyzing the evolution of their microstructure and the changes in physical parameters, the response laws and propagation characteristics of shock waves in various heterogeneous of CoCrFeMnNi HEAs are revealed at the atomic scale.

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冲击载荷作用下CoCrFeMnNi高熵合金异质结构的分子动力学模拟

在宏观层面上对CoCrFeMnNi高熵合金(HEAs)进行了大量的实验研究。然而，通过实验从微观层面定量分析HEAs的冲击行为是一项挑战。在本研究中，我们利用分子动力学方法构建了CoCrFeMnNi HEAs的单晶、双晶、多层、空穴和两相结构。研究了冲击载荷对不同结构CoCrFeMnNi HEAs的微观影响。通过分析其微观结构的演变和物理参数的变化，揭示了不同异质CoCrFeMnNi HEAs中激波在原子尺度上的响应规律和传播特性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Modelling and Simulation in Materials Science and Engineering 工程技术-材料科学：综合

CiteScore

3.30

自引率

5.60%

发文量

审稿时长

1.7 months

期刊介绍： Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation. Subject coverage: Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.