Fundamental role of 3(11) and 3(12) grain boundaries in elastic response and slip transfer

Tsuru, Tomohito   ; Kaji, Yoshiyuki  ; Shibutani, Yoji*

To understand individual grain boundary characteristics, the influence of grain boundaries on the elastic and plastic deformation behaviors of copper bicrystals with 3(11) twin and 3(12) grain boundaries were investigated by large scale molecular statics simulation. Our results showed that an incoherent boundary experiences a reduction in elastic resistance due to the increase in excess free volume and structure-dependent local indentation modulus, while a coherent boundary has little effect on the elastic deformation. Plastic deformation of the 3(12) indentation demonstrates easy slip transfer across the interface.