原子能科学技术2017，Vol.51Issue(1)：150-157,8.DOI:10.7538/yzk.2017.51.01.0150
电子辐照条件下高纯铁中位错环演化的多尺度模拟
Multi-scale Modeling of Interstitial Dislocation Loop by Electron-irradiation High Purity Iron
摘要
Abstract
The microstructure evolution induced by irradiation on materials will lead to dimensional instability and mechanical property degradation of structure materials , w hich is one of the major factors to limit the safety and economical feature of nuclear plants .In this work ,a physical model and numerical code named Radieff were developed based on rate theory ,and the subsequently molecular dynamics (MD) method was used to calculate the input parameters of the model ,such as formation energy ,binding ener‐gy ,migration energy and the stable configuration of interstitial loops . Finally , the interstitial loop evolutions in high purity iron by 1 MeV electron irradiation were repro‐duced with the model and code ,and calibrated by experiment results .According to the MD results , it is found that the stable configuration is <110> direction for 3 self‐interstitial atoms (SIAs) cluster ,then turn to <111> direction for larger cluster .The effects of dislocation density on the evolution of interstitial loops induced by electron irradiation were studied by Radieff under the temperature of 400‐600 K and the dose rate of 1.5 × 10 -4 dpa/s .The effect of dislocation density on number density and size of interstitial loops depends on the comparison of the sink strengths between dislocation and interstitial clusters to SIAs .Under the radiation temperatures of 464 K and 550 K , the number density and size of interstitial loops decrease rapidly w hen the dislocation density gets to 1011 cm -2 and 1010 cm -2 respectively ,as a result of lager sink strengths of dislocation than interstitial clusters to SIAs .关键词
速率理论/分子动力学/高纯铁/位错环/辐照损伤Key words
rate theory/molecular dynamics/high purity iron/interstitial loop/radia-tion damage分类
能源科技引用本文复制引用
吴石,王东杰,贺新福,贾丽霞,豆艳坤,杨文..电子辐照条件下高纯铁中位错环演化的多尺度模拟[J].原子能科学技术,2017,51(1):150-157,8.基金项目
大型先进压水堆核电站重大专项资助项目（2012ZX06004-005）；863计划资助项目 （）
