Martensitic Phase Transition in TiNi Thin Plates with Different Surface Crystallographic Orientations

Atomistic simulations of monocrystalline TiNi thin plates with different crystallographic orientations were performed based on the classical molecular dynamics in the framework of Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) package. It was found that the crystallographic orientation of the surface in a monocrystal plate has a significant effect on the phase transition temperature at nanoscale thickness. We have studied the surface energy dependence on temperature for surface crystallographic orientations (100), (110), (111), (112), (122). The stability of utilized model used was also investigated, which allowed us to conclude its satisfiability for these calculations.