Effects of Al and V on deformation behavior and microscopic mechanism of titanium alloy at ultra-low temperature using molecular dynamics

Abstract

A uniaxial tensile was executed with the molecular dynamics method, while the interaction between Ti, Al and V was described by hybrid potential. The influences of Al and V elements on the plastic deformation behavior and microscopic deformation mechanism of Ti-Al-V alloy were studied under ultra-low temperatures. The results show that the high content of Al and V elements leads to a sudden decrease of plasticity at 300 K. The plasticity is slightly reduced with increasing Al content when the content of V is 3.3~6.2 wt.% at 77 K. However, with the temperature reduced to 50 K, Al promotes the activation of dislocation when the content of V is high (6.2 wt.%) and hinders the activation of dislocation when V content is low (0.4 wt.%). At high V content (6.2 wt.%), the increase in plasticity with increasing Al content is more pronounced. Therefore, the strength and plasticity of Ti6.5Al6.2V increase with decreasing temperature.