Three-Dimensional Phase-Field Simulation of Grain Evolution in Physical Vapor Deposited Pure Ti Thin Film

Abstract:

Combining the phase-field method and the moving boundary method, a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations. The evolution of grain morphology and grain orientation was also taken into consideration. Simulation results show that at lower deposition rates, the surface of the formed Ti film exhibits a distinct oriented texture structure. The surface roughness of the Ti film is positively correlated with the grain misorientation. Moreover, the surface roughness obtained from the simulation is in good agreement with the experiment results.