Microstructural evolution of FeCoNiCrMn high-entropy alloy subjected to laser shock peening: Molecular dynamics simulation study

Next Materials Pub Date : 2025-04-01 Epub Date: 2025-02-07 DOI:10.1016/j.nxmate.2025.100523
Weizhou Xu , Yongxiang Geng , Haizhong Zheng , Yixin Xiao
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Abstract

Molecular dynamics (MD) and Monte Carlo (MC) simulations are used to study the microstructural evolution of FeCoNiCrMn high-entropy alloys (HEA) after laser shock peening (LSP). The shock wave structure, microstructure, and dislocation evolution of single-crystal HEA after LSP are investigated at different shock velocities and shock directions. The elastic-plastic wave segregation of single-crystal HEA is observed at [110] crystal-direction shock. The cold fusion occurs in [110] and [111] crystal directions. After [001] grain direction shock, mainly the Hexagonal close-packed(HCP) phase is produced. The [110] and [111] grain directions mostly produce disordered structures aftershock. Lower-density dislocations are produced in the short-range ordered (SRO) model. A more complex microstructural evolution exists in nanocrystalline HEA due to the strong anisotropy of single-crystal HEA. A large number of stacking faults (SFs), twins, Hirth dislocation locks, and Lomer-Cottrell lock (LC) structures are generated. At the same time, nanocrystalline HEA produces a large number of dislocation entanglements near grain boundaries, leading to the precipitation of a large number of subgrains.
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激光冲击强化后FeCoNiCrMn高熵合金组织演变的分子动力学模拟研究
采用分子动力学(MD)和蒙特卡罗(MC)模拟方法研究了FeCoNiCrMn高熵合金(HEA)在激光冲击强化(LSP)后的组织演变。研究了不同激波速度和激波方向下单晶HEA在LSP后的激波结构、微观结构和位错演化。单晶HEA在[110]晶向激波中存在弹塑性波偏析现象。冷聚变发生在[110]和[111]晶体方向上。[001]晶向激波后,主要形成六方密排相(HCP)。[110]和[111]晶粒方向多产生无序结构余震。在短程有序(SRO)模型中产生了低密度位错。由于单晶HEA具有较强的各向异性,纳米晶HEA的微观结构演化更为复杂。形成了大量的层错、孪晶、Hirth位错锁和lmer - cottrell锁等结构。同时,纳米晶HEA在晶界附近产生大量位错缠结,导致大量亚晶析出。
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