Non-equiatomic FeMnCoCr high-entropy alloy(HEA),which exhibits a great potential to break the strength-ductility trade-off relationship,has drawn abundant attention from researchers in experiments.However,atomic simul...Non-equiatomic FeMnCoCr high-entropy alloy(HEA),which exhibits a great potential to break the strength-ductility trade-off relationship,has drawn abundant attention from researchers in experiments.However,atomic simulations of such excellent alloys are limited due to the lack of proper interatomic potentials.In this work,the complete martensitic transformation of nonequiatomic HEA is reproduced via atomic simulations with a novel interatomic potential under EAM framework.The physical parameters of interatomic potential agree well with experimental measurements and first-principles calculations.According to the atomic simulation results of poly-crystalline under tension and compression,two basic transition models of TRIP-DP-HEA for martensitic transformation are revealed,i.e.,the overlapping of intrinsic stacking faults or the growth of hcp laminates simultaneously.Moreover,the pathway for martensitic transformation is elucidated with the gliding of Shockley partial dislocations of 1/6<112>burgers vectors.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.11902185,51702207,and 11972219)the Shanghai Sailing Program(Grant No.19YF1415100)+2 种基金the Young Elite Scientist Sponsorship Program by CAST(Grant No.2019QNRC001)the Key Research Project of Zhejiang Laboratorythe Program for Professor of Special Appointment(Young Eastern Scholar Program)at Shanghai Institutions of Higher Learning。
文摘Non-equiatomic FeMnCoCr high-entropy alloy(HEA),which exhibits a great potential to break the strength-ductility trade-off relationship,has drawn abundant attention from researchers in experiments.However,atomic simulations of such excellent alloys are limited due to the lack of proper interatomic potentials.In this work,the complete martensitic transformation of nonequiatomic HEA is reproduced via atomic simulations with a novel interatomic potential under EAM framework.The physical parameters of interatomic potential agree well with experimental measurements and first-principles calculations.According to the atomic simulation results of poly-crystalline under tension and compression,two basic transition models of TRIP-DP-HEA for martensitic transformation are revealed,i.e.,the overlapping of intrinsic stacking faults or the growth of hcp laminates simultaneously.Moreover,the pathway for martensitic transformation is elucidated with the gliding of Shockley partial dislocations of 1/6<112>burgers vectors.
