摘要:
高熵合金(High-entropy alloys,HEAs)在高应变速率、低温等极端条件下所呈现的显著强韧协同效应已被大量研究证实。然而,现有晶体塑性模型虽能描述动态载荷下的宏观力学响应,却较少能从物理机制层面对应变速率效应进行量化,且关键参数往往缺乏明确的物理意义,制约了对该优异性能背后物理机制的深入揭示。基于多重变形机制构建的统一晶体塑性有限元(Crystal Plasticity Finite Element,CPFE)模型,实现了对等原子比CrMnFeCoNi高熵合金在宽应变速率范围(10−2–104 s−1)内宏观塑性流动行为的合理预测。依据热弹-黏塑性理论,推导了应变速率敏感的塑性变形机制晶体学解析式,并通过引入随离散时间步长更新的滑移系位错密度与运动阻力内变量,定量表征了塑性变形过程中微观组织的演化动力学。结果表明:应变速率主导的位错动力学特性和温度依赖的层错能(通过调控孪晶/马氏体相变/位错滑移的竞争机制)共同决定材料强韧协同效应的非线性演化规律,并影响其宏观力学响应。针对Cantor(CrMnFeCoNi)合金研究构建的、用于描述极端条件下塑性变形机制的定量物理模型,可为其它类似的面心立方结构高熵合金(Face-centered cubic high-entropy alloys,FCC HEAs)的建模提供可借鉴框架。
Abstract:
High-entropy alloys (HEAs) exhibit pronounced strength–ductility synergy under extreme conditions such as high strain rates and cryogenic temperatures. However, existing crystal plasticity models, although capable of capturing macroscopic dynamic responses, rarely quantify strain-rate effects at the mechanistic level, and their critical parameters often lack explicit physical meaning. This limits the in-depth understanding of the physical mechanisms behind the excellent mechanical performance of HEAs. To address this issue, a physics-informed crystal plasticity finite element (CPFE) model was developed for equiatomic CrMnFeCoNi HEAs over a wide strain-rate range from 10−2 to 104 s−1. Multiple deformation mechanisms were integrated into the model, and the model was implemented in a finite element environment. Based on a thermo-elasto-viscoplastic theory, strain-rate-sensitive crystallographic formulations were derived for the plastic deformation mechanisms, including dislocation slip, deformation twinning, and martensitic phase transformation. Two dislocation mechanisms, i.e., dislocation slip and viscous drag, were considered to describe rate-controlled dislocation activity. Discrete internal state variables, updated at each time step, were introduced to track the evolution of dislocation density and dislocation-motion resistance on individual slip systems. In addition, the model incorporated the temperature dependence of stacking fault energy (SFE), adiabatic temperature rise, and the temperature dependence of the Hall Petch relation. These components enabled quantitative characterization of the kinetic features of microstructural evolution and established a direct link between mesoscale microstructural evolution and macroscopic mechanical properties. Numerical simulations were performed for equiatomic CrMnFeCoNi HEAs across this wide strain-rate range. The model reasonably predicted the macroscopic plastic flow behavior and maintained consistent predictions of stress–strain responses and microstructural evolution. The results show that the nonlinear evolution of strength–ductility synergy under dynamic loading is jointly governed by strain-rate-dominated dislocation dynamics and SFE-regulated competition among dislocation slip, twinning, and transformation, which ultimately dictates the macroscopic mechanical responses of the alloy. By analyzing strain-rate sensitivity and work-hardening rate, the plastic stability during dynamic deformation was revealed. The simulation results validated the reliability of the model in capturing dynamic deformation mechanisms. It is concluded that the proposed framework provides a quantitative physical model for describing extreme deformation mechanisms in the Cantor (CrMnFeCoNi) alloy. It also offers a physically sound and transferable modeling framework for other face-centered cubic (FCC) HEAs and for the investigation and design of multi-principal element alloy systems with complex deformation mechanisms under dynamic deformation and temperature variation.