摘要
The migration of grain boundary （GB）, which plays a key role in the microstructural evolution of polycrys- talline materials, remains mysterious due to the unknown relationship between GB mobility associated with specific geometry and external conditions （e.g. temperature, stress, etc., hence the thermodynamic driving force）. Combining the rate equation of GB migration with molecular dynamics simulations, an intrinsic correlation between driving force and energy barrier for the migration of various types of GBs （i.e. twist, symmetric tilt, asymmetric tilt, and mixed twist-tilt） is herein explored, showing the decrease of energy barrier with increasing thermodynamic driving force.
The migration of grain boundary （GB）, which plays a key role in the microstructural evolution of polycrys- talline materials, remains mysterious due to the unknown relationship between GB mobility associated with specific geometry and external conditions （e.g. temperature, stress, etc., hence the thermodynamic driving force）. Combining the rate equation of GB migration with molecular dynamics simulations, an intrinsic correlation between driving force and energy barrier for the migration of various types of GBs （i.e. twist, symmetric tilt, asymmetric tilt, and mixed twist-tilt） is herein explored, showing the decrease of energy barrier with increasing thermodynamic driving force.
基金
supported financially by the National Key R&D Program of China (Project No.2017YFB0305100,2017YFB0703001)
Major Program of National Natural Science Foundation of China
National Natural Science Foundation of China (No.51431008)
the Research Fund of the State Key Laboratory of Solidification Processing (No.117-TZ-2015)
