Molecular Dynamics Simulation of Martensitic Transformation and Shape-Memory Effect in Ni-Al Alloy
Details
Molecular dynamics simulations on the shape memory effect are carried out by using the EAM potential for Ni-Al alloy. As a preliminary calculations, the stable crystal structures are investigated so that both bcc and martensite phases are obtained, and the temperature-dependent transformation can occur. As a result, it is revealed that 60-70% Ni models show the martensite structure at low temperature, and bcc at high temperature, and the transformation temperature depends on the Ni content. Then, a series of loading, unloading, heating, and cooling conditions is imposed for 68% Ni model, and the shape memory effects are exhibited by the martensitic transformation and variant deformation.
