Si含量对高熵合金CrFeCoNi的力学和磁性性能影响的第一性原理研究
First-principles study on the effect of si content on the mechanical and magnetic properties of CrFeCoNi high-entropy alloy
宋宏权 1支悦怡1
作者信息
- 1. 周口师范学院物理与电信工程学院,河南周口 466001
- 折叠
摘要
CrFeCoNi高熵合金具有优异的机械性能而被广泛研究,通过添加非金属元素来改善CrFeCoNi高熵合金的其他性能是目前的实验手段之一.通过第一性原理计算结合相似原子环境构建模型新方法研究了Si含量对CrFeCoNi高熵合金的力学和磁性性能的影响.结果显示,Si含量的添加虽然降低了FCC相的韧性,但对BCC相的韧性有所改善.Si含量的添加降低了CrFeCoNi高熵合金的磁性,其中Fe和Co元素磁性的变化起主要因素.
Abstract
CrFeCoNi high-entropy alloy has been widely studied for its excellent mechanical properties,and one of the current experimental methods to improve the other properties of CrFeCoNi high-entropy alloy is by adding non-metallic elements.In this paper,the effect of Si content on the mechanical and magnetic properties of CrFeCoNi high-entropy alloy was investigated using first-principles calculations combined with the new method of constructing models based on similar atomic environments.The results show that the addition of Si content reduces the toughness of the FCC phase while impro-ving the toughness of the BCC phase.The addition of Si content decreases the magnetism of the CrFeCoNi high-entropy al-loy,with changes in the magnetism of Fe and Co elements being the main factors.
关键词
高熵合金/第一性原理/力学性质/磁性Key words
high-entropy alloys/first principles/mechanical properties/magnetic properties引用本文复制引用
出版年
2024
NETL
NSTL
万方数据