Abstract
Molecular dynamics simulations are carried out to clarify the mechanism of the deformation and shape- recovery in a shape memory alloys. An embedded-atom-method (EAM) potential for Ni-Al alloy are applied, and a series of thermo-mechanical condition, consisting of loading by an external shear force, unloading, heating and cooling processes, are imposed. Consequently, the shape memory behavior associated with deformation and phase transformation is successfully demonstrated. As an example of the simulation, a result obtained for a polycrystalline model is demonstrated in this paper, while various arrangement of crystal grains have been investigated. The resultant stress-strain curve showing a hysteresis loop is also exhibited, and the future study is noted as the concluding remarks.