材料导报2025,Vol.39Issue(2) :234-238.DOI:10.11896/cldb.23120142

成分相关的单晶Cr-Co-Ni合金形变机制的分子动力学模拟研究

Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence

耿长建 杨怡斌 由宝财 董会苁 马海坤
材料导报2025,Vol.39Issue(2) :234-238.DOI:10.11896/cldb.23120142

成分相关的单晶Cr-Co-Ni合金形变机制的分子动力学模拟研究

Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence

耿长建 1杨怡斌 2由宝财 1董会苁 2马海坤2
扫码查看

作者信息

  • 1. 中国航发沈阳发动机研究所,沈阳 110015
  • 2. 河北科技大学材料科学与工程学院,石家庄 050000
  • 折叠

摘要

近年来,Co-Cr-Ni中熵合金因其杰出的性能在材料领域引起广泛关注.然而,在单晶Co-Cr-Ni中熵合金中,随着化学成分的变化,其内部微观结构对材料的塑性和硬度等力学性能的影响仍然需要详细研究.本工作借助分子动力学模拟,对包括等原子比例的CoCrNi和非等原子比例的Co10(CrNi)90、Cr10(CoNi)90以及Ni10(CoCr)90在内的不同成分的单晶Co-Cr-Ni中熵合金进行了深入探讨.研究结果揭示了不同成分下材料力学性能的显著差异,包括屈服应力、杨氏模量和流变应力.同时,分析了 Lomer-Cottrell锁结构、层错四面体和显微组织的演化,以及这些因素对材料的强化作用.

Abstract

In recent years,Co-Cr-Ni medium-entropy alloys have attracted extensive attention in the field of materials research owing to its outstanding properties.However,with the change of chemical composition in single crystal Co-Cr-Ni medium-entropy alloys,the influence of internal microstructure on mechanical properties such as plasticity and hardness still needs detailed exploration.This work,by utilizing molecular dynamics simulation,investigated in depth a variety of single crystal Co-Cr-Ni medium-entropy alloys with different compositions,including the stoichiometric CoCrNi,and the non-stoichiometric Co10(CrNi)90,Cr10(CoNi)90,and Ni10(CoCr)90.The results revealed the significant difference of mechanical properties of materials with different compositions,including yield stress,Young's modulus,and flow stress.Furthermore,the Lomer-Cottrell lock structure,stacking fault tetrahedron,and microstructure evolution,as well as the strengthening effect of these factors on the material,were also analyzed.

关键词

中熵合金/分子动力学模拟/Shockley不全位错/Lomer-Cottrell锁结构/层错四面体

Key words

medium-entropy alloy/molecular dynamics simulation/Shockley incomplete dislocation/Lomer-Cottrell lock structure/stacking fault tetrahedron

引用本文复制引用

出版年

2025
材料导报
重庆西南信息有限公司

材料导报

北大核心
影响因子:0.605
ISSN:1005-023X
段落导航相关论文