摘要
Accurately predicting the mechanical behavior of pure metals at different radiation doses and prescribing the microstructure evolutions,such as the dislocation structures,remain challenging.This work introduces a 3D hybrid numerical simulation scheme that integrates finite element(FE)and finite difference(FD)modules.The FE module is used to implement the crystal plasticity model,while the FD module is used to solve the reaction-diffusion model regarding dislocation nucleation and transportation.Our hybrid model successfully replicates the mechanical behavior of pristine Cu single crystals and provides details of dislocation cell structures that agree with the experimental observation.Furthermore,the model effectively reflects the irradiation hardening effects for Cu single crystals and demonstrates the formation of dislocation channels and shear band type of strain localization.Our work offers an effective approach for predicting the mechanical responses and the safety evaluation of pure metals in extreme working conditions.
准确预测纯金属在不同辐照剂量下的力学行为,并刻画其微观结构演化(如位错结构),仍然是一大挑战.本研究提出了一种集成有限元(FE)与有限差分(FD)模块的三维耦合数值模拟方案.FE模块用于实现晶体塑性模型,而FD模块用于求解涉及位错形核与迁移相关的反应-扩散模型.该耦合模型成功重现了单晶铜的力学行为,并提供了与实验观测相一致的位错胞结构的细节.此外,该模型还有效捕捉了单晶铜的辐照硬化效应,并展示了位错通道的形成以及剪切带型应变局部化现象.我们的研究为在极端工作条件下纯金属的力学响应预测和安全评估提供了有效方案.
基金
supported by the National Natural Science Foundation of China(Grant Nos.12325202,12172005,and 11988102)。
