有色金属科学与工程2025，Vol.16Issue(2)：171-178,8.DOI:10.13264/j.cnki.ysjskx.2025.02.002
Cu-Fe合金时效过程分子动力学模拟
Molecular dynamics simulation of the aging process in Cu-Fe alloys
摘要
Abstract
The molecular dynamics simulation method reveals the details of material evolution at the atomic level,bridging the micro and macro worlds,and can guide the development and research of high-performance materials.This article used molecular dynamics methods to study the aging process of Cu-Fe alloys.The aging diffusion behavior of Cu-Fe alloys with different Fe atom percentages at different temperatures was simulated using the embedded atomic potential(EAM).The effects of temperature and Fe atom content on the aging process were explored by combining diffusion coefficients,diffusion activation energy,and binding energy.The results indicated that an increase in the aging temperature of Cu-Fe alloys would promote the diffusion of Fe atoms in the alloy.In contrast,an increase in Fe atom content in Cu Fe alloy would inhibit the diffusion behavior of Fe atoms.Meanwhile,during the aging process of Cu-Fe alloy,Fe atoms would gradually aggregate to form small clusters,and some small clusters would eventually merge to form large clusters.关键词
分子动力学模拟/铜铁合金/扩散系数/扩散激活能/结合能Key words
molecular dynamics simulation/Cu-Fe alloys/diffusion coefficient/diffusion activation energy/binding energy分类
金属材料引用本文复制引用
赖智博,王旭锋,李运刚,高绪峰..Cu-Fe合金时效过程分子动力学模拟[J].有色金属科学与工程,2025,16(2):171-178,8.基金项目
国家自然科学基金资助项目(51974125) （51974125）
