The Analysis of Superelasticity and Microstructural Evolution in NiTi Single Crystals by Molecular Dynamics.

Superelasticity in shape memory alloys is an important feature for actuators and medical devices. However, the function of the devices is typically limited by mechanical bandwidth and fatigue, which are dominated by the microstructures. Thus, in order to correlate the mechanical response and the microstructures, the microstructural evolution in NiTi single crystals under the compression, tensile, and shearing tests is simulated by molecular dynamics (MD) in the current study.