Effect of the Crystallographic Orientation on the Phase Transition in a Finite TiNi Shape Memory Alloy Plate

A TiNi shape memory alloy plate has been simulated at different crystallographic orientations in the free LAMMPS classical molecular dynamics simulator. It has been found that the crystallographic orientation of the plate significantly affects the phase transition temperature. The temperature dependence of the surface energy at the (100), (110), (112), and (122) crystallographic orientations has been built. The stability of the model used has been examined and thereby its applicability to the calculation made has been confirmed.