材料科学
高熵合金
晶格常数
韧性
材料设计
机械工程
复合材料
微观结构
工程类
衍射
物理
光学
作者
Liang Fu,Jin Du,Guosheng Su,Chonghai Xu,Chongyan Zhang,Xiangmin Kong
出处
期刊:Metals
[Multidisciplinary Digital Publishing Institute]
日期:2022-10-31
卷期号:12 (11): 1860-1860
被引量:13
摘要
With the in-depth research on high-entropy alloys (HEAs), most of the current research uses experimental methods to verify the effects of the main elements of HEAs on the mechanical properties of the alloys. However, this is limited by the long experimental period and the influence of many external factors. The computer simulation method can not only effectively save costs and shorten the test cycle, but also help to discover new materials and broaden the field of materials. Therefore, in this paper, the physical properties (such as lattice constant, density and elastic constant) of AlCoxCrFeNi (x = 0, 0.25, 0.5, 0.75, 1) HEAs were calculated based on the first-principles calculation method and virtual crystal approximate modeling method. It is found that AlCoxCrFeNi HEAs have the best hardness and toughness properties, with a Co content of 0.5~0.7. The research results can provide theoretical guidance for the preparation of HEAs with optimal mechanical properties.
科研通智能强力驱动
Strongly Powered by AbleSci AI