【摘 要】
：
The capture efficiency describes the capability of a sink,such as a grain boundary (GB),dislocation,and void,to absorb point defects (PDs).The bias defines the difference in capture efficiency between the ab-sorption of a vacancy and dumbbell at a sink.Co
【机 构】
：
School of Physics,Beihang University,Beijing 100191,China;Beijing Key Laboratory of Advanced Nuclear
论文部分内容阅读
The capture efficiency describes the capability of a sink,such as a grain boundary (GB),dislocation,and void,to absorb point defects (PDs).The bias defines the difference in capture efficiency between the ab-sorption of a vacancy and dumbbell at a sink.Complete kinetic information on PDs,including diffusion barriers and diffusion orientations,as well as accurate saddle points,are needed to determine the capture efficiency and bias at a sink accurately,which is computationally demanding.In the present study,the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) method was used to investigate the defect dynam-ics of PDs near different types of grain boundaries (GBs) (with both (100) and (110) families) accurately in body-centered cubic (BCC) iron (Fe).The capture efficiency,sink strength,and bias factor of different types of GBs were determined in Fe,which,different from traditional rate theory estimation,showed a distinct capture efficiency,sink strength,and bias in different GBs.The results demonstrate a strong positive correlation between the capture efficiency and the GB strain width,instead of the GB misorien-ration,GB energy,or GB-PD binding energy,which have been investigated previously.This work provides valuable insight into the radiation-induced microstructural evolution of GBs.
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