Numerical simulation of titanium dissolution in the aluminum melt and synthesis of an intermetallic compound

Titanium dissolution in the aluminum melt and synthesis of an intermetallic compound at constant temperature and pressure are numerically simulated by the molecular dynamics method. Owing to titanium dissolution, the $\mathrm{TiAl}_3$ intermetallic compound is formed near the interface between the titanium crystal and aluminum melt. Based on the theory of weak solutions, a mathematical model of titanium dissolution in the aluminum melt is constructed. Dependences of the diffusion coefficient, equilibrium concentration of titanium, and dissolution rate on temperature are obtained.