変形双晶の核生成条件に関する原子シミュレーション

抄録

Understanding the formation mechanism of deformation twins in TWIP phenomena is important for material design. Recently, TEM observations of the formation of deformation twins from grain boundaries have confirmed that dislocation pile-up is required at Σ3 grain boundaries, while dislocation pile-up is not required at high-energy grain boundaries. In this study, we investigate the decomposition reaction o f the Burgers vector of the dislocation that enters the Σ3 grain boundary in detail by molecular dynamics simulation, and consider the conditions for the formation of deformation twins from the Σ3 grain boundary. Then, by investigating the range of uniaxial tensile axes that satisfy the obtained conditions, the generality of the deformation modes observed in TEM will be examined.