Molecular Dynamics Study on the Welding Behavior in Dissimilar TC4-TA17 Titanium Alloys

Titanium alloys have become the material of choice for marine parts manufacturing due to their high specific strength and excellent resistance to seawater corrosion. However, it is still challenging for a single titanium alloy to meet the comprehensive specifications of a structural component. In this study, we have applied a molecular dynamics approach to simulate the aging phase transformation, K-TIG welding process, and mechanical properties of the TC4-TA17 (Ti6Al4V-Ti4Al2V) alloy. The results show that during the aging phase transformation process, changes in the structure of the titanium alloys are mainly manifested in the precipitation of a new phase from the sub-stable β-phase, and after the state stabilization, the α-phase content reaches 45%. Moreover, during the melting and diffusion process of TC4-TA17, aluminum atoms near the interface diffuse, followed by titanium atoms, while relatively few vanadium atoms are involved in the diffusion. Finally, the results of tensile simulations of the TC4-TA17 alloy after welding showed that stress values can reach up to 9.07 GPa and that the mechanical properties of the alloy in the weld zone are better than those of the single alloys under the same conditions. This study will provide theoretical support for the optimization of process parameters for TC4-TA17 alloy welding.