Cu-Fe合金凝固过程中结构变化研究  

Research on structural changes during the solidification process of Cu-Fe alloy

作　　者：王旭锋 张真豪 高绪锋 金雅璇 张寒雨 李运刚 WANG Xu-Feng;ZHANG Zhen-Hao;GAO Xu-Feng;JIN Ya-Xuan;ZHANG Han-Yu;LI Yun-Gang(College of Metallurgy and Energy,North China University of Science and Technology,Tangshan 063210,China)

机构地区：[1]华北理工大学冶金与能源学院,唐山063210

出　　处：《原子与分子物理学报》2025年第6期183-192,共10页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(51974129);唐山市技术创新团队培养计划项目(21130207D);河北省高等学校科学技术研究项目(QN2022003);河北省研究生创新资助项目(CXZZBS2021100)。

摘　　要：采用分子动力学模拟方法研究了Cu_(100-X)Fe_(X)(X=1%、3%、5%)合金在冷却速率为2×10^(10)K/s条件下合金凝固过程.研究表明,Fe含量为1%时,随着合金温度的降低Fe原子始终保持均匀分布的状态,未出现Fe原子聚集现象,晶体结构是以FCC为主的Cu基体,Fe原子以固溶形式存在于基体中.Fe含量为3%时,随着合金温度的降低Fe原子有聚集趋势,但BCC晶体结构占比较小,晶体结构仍是以FCC为主的Cu基体.Fe含量为5%,随着合金温度的降低Fe原子发生明显聚集,最终形成以FCC、HCP晶体类型为主镶嵌Fe原子的Cu基体.研究了Fe团簇的形成过程,结果表明,Fe团簇的形成、长大是一个连续的过程,该过程受形核生长机制控制,不同阶段形成Fe团簇的大小和数量受Fe-Fe原子相互作用力、Fe原子的扩散能力以及Fe团簇与Cu基体间的界面能三个因素共同影响.The solidification process of Cu_(100-x)Fe_(x)(x=1%,3%,5%)alloy at a cooling rate of 2×10^(10)K/s was studied by molecular dynamics simulation.The results show that when the Fe content is 1%,the Fe atoms are uniformly distributed with the decrease of the alloy temperature,and no aggregation of Fe atoms occurs,Fe atoms exist in the matrix in the form of solid solution.When Fe content is 3%,Fe atoms tend to aggregate with the decrease of alloy temperature,but the BCC crystal structure is relatively small,and the crystal structure is still Cu matrix dominated by FCC.When the Fe content is 5%.the Fe atoms accumulate obviously with the decreasing alloy temperature,and the Cu matrix with Fe atoms embedded mainly in FCC and HCP crystals is formed.The results show that the formation and growth of Fe clusters is a continuous process,which is controlled by the nucleation and growth mechanism,the size and number of Fe clusters formed in different stages are affected by the interaction force between Fe and Fe atoms,the diffusivity of Fe atoms and the interfacial energy between Fe clusters and Cu matrix.

关 键 词：CU-FE合金 快速凝固 晶体结构 Fe团簇 

分 类 号：O64[理学—物理化学]