Effects of AlN particle and Sn segregation on the Migration of Grain Boundaries in bcc Fe: A Molecular Dynamics Simulation Study

DoctorSecondary recrystallization of Goss grain by AlN and MnS as inhibitors controls the properties of grain oriented electrical steels. Finishing the form of Goss texture during the annealing the inhibitors should be dissolved and removed at very high temperature (about 1200℃). To improve the process of secondary recrystallization, more efficient methods have to be devised without using precipitates. If it is known that the pinning pressure of grain growth by precipitate and segregating elements, we could replace precipitates with other segregating element as inhibitors. The purpose of this study is to investigate the possibility of inhibitors with the grain boundary segregation of Sn through the calculation of pinning pressure of grain growth. MEAM potentials for Fe-Sn and Fe-Al-N alloys were developed, the pinning pressure of grain growth by AlN precipitate and Sn segregation were calculated by using molecular dynamics simulation and the tendency of Sn segregation at grain boundary were analyzed by using Monte Carlo simulation. Fundamental information for the pinning pressure of precipitate and segregating element could be obtained