退火过程中Ni的晶界迁移行为研究

Molecular dynamics simulation method is used to select the simulated annealing temperature of Ni with the embedded atom potential( EAM) trough comparing the melting point of five different grain boundary (Σ3-<111>-twist, Σ5-<001>-twist, Σ5-<310>-tilt, Σ13-<320> - tilt, Σ37-<750>-tilt ) with the ideal crystal's melting point. According to the choosed annealing temperature 1350K,conduct the NPT heating and cooling treatment to those five grain boundary. It is concluded that those four kinds of grain boundary , such as Σ5-<001>-twist, Σ5-<310>-tilt, Σ13-<320>-tilt, Σ37-<750>-tilt had a grain boundary migration in different level, while Σ3-<111>-twist grain boundary was little change because of its low energy. At the same time , the volume of those five kinds of grain boundary are all become bigger, but the energy of each grain boundary show lower after annealing treatment.