An atomistic study of effects of temperature and Ni element on the phase transition and wear behavior of NiTi shape memory alloy

Phase transition and tribological behavior of NiTi alloys have drawn great attention. Molecular dynamics simulation was adopted to investigate the effects of temperature on the mechanical behavior and variant formation of NiTi, as well as its wear behavior. Thermally and stress-induced phase transition behavior of NiTi alloys were studied. It is found that residual austenite phase boundaries during martensitic phase transformation could inhibit martensitic phase transition, changing the phase transition temperatures, and the mechanical properties of NiTi. Wear behavior of single-crystal NiTi with a wide temperature domain and content was studied. The optimal wear resistance of NiTi was at 300 K during cooling. Appropriate improvement in Ni content is beneficial to the formation of martensite variants and enhancement of the wear resistance.