首页|Electronic effects on radiation damage in α-iron:A molecular dynamics study

Electronic effects on radiation damage in α-iron:A molecular dynamics study

扫码查看
原文链接
  • 万方数据
Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation during operation,thus,the problems associated with the safe operation of nuclear reactors have been put forward naturally.In this work,a molecular dynamics simulation approach combined with electronic effects is developed for investigating the primary radia-tion damage process in α-Fe.Specifically,the influence of electronic effects on the collision cascade in Fe is systematically evaluated based on two commonly used interatomic potentials for Fe.The simulation results reveal that both electronic stopping(ES)and electron-phonon coupling(EPC)can contribute to the decrease of the number of defects in the thermal spike phase.The application of ES reduces the number of residual defects after the cascade evolution,whereas EPC has a reverse effect.The introduction of electronic effects promotes the formation of the dispersive subcascade:ES signifi-cantly changes the geometry of the damaged region in the thermal spike phase,whereas EPC mainly reduces the extent of the damaged region.Furthermore,the incorporation of electronic effects effectively mitigates discrepancies in simulation outcomes when using different interatomic potentials.

radiation damageelectronic effectsmolecular dynamics simulationα-iron

江林、李敏、付宝勤、崔节超、侯氢

展开 >

Key Laboratory for Radiation Physics and Technology,Institute of Nuclear Science and Technology,Sichuan University,Chengdu 610064,China

National MCF Energy Research and Development Program of ChinaNational MCF Energy Research and Development Program of China国家自然科学基金四川省自然科学基金四川省自然科学基金

2022YFE032002002018YFE0308101121051942022NSFSC12652022NSFSC1251

2024

10.1088/1674-1056/ad0ec4

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(3)
  • 53