Numerical Simulation of Titanium Dissolution in the Aluminum Melt and Synthesis of an Intermetallic Compound
S. P. Kiselev1,2, V. P. Kiselev1
1Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
2Novosibirsk State Technical University, Novosibirsk, 630092 Russia
Keywords: интерметаллид титан - алюминий, уравнение диффузии, метод молекулярной динамики, расплав алюминия, кристалл титана, Titanium-aluminum intermetallic compound, diffusion equation, molecular dynamics method, aluminum melt, titanium crystal
Abstract
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 TiAl3 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.
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