Influence of point defects on grain boundary motion.

Foiles, Stephen Martin

关键词: GRAIN BOUNDARIES;    POINT DEFECTS;    VACANCIES;    MOTION;    INTERFACES;    MOLECULAR DYNAMICS METHOD;   

DOI  :  10.2172/1011209
RP-ID  :  SAND2010-7250
PID  :  OSTI ID: 1011209
Others  :  TRN: US201109%%314

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

This work addresses the influence of point defects, in particular vacancies, on the motion of grain boundaries. If there is a non-equilibrium concentration of point defects in the vicinity of an interface, such as due to displacement cascades in a radiation environment, motion of the interface to sweep up the defects will lower the energy and provide a driving force for interface motion. Molecular dynamics simulations are employed to examine the process for the case of excess vacancy concentrations in the vicinity of two grain boundaries. It is observed that the efficacy of the presence of the point defects in inducing boundary motion depends on the balance of the mobility of the defects with the mobility of the interfaces. In addition, the extent to which grain boundaries are ideal sinks for vacancies is evaluated by considering the energy of boundaries before and after vacancy absorption.