纯Ti薄膜物理气相沉积过程中晶粒演化三维定量相场模拟

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

摘要:

结合相场方法和移动边界方法，对不同沉积速率和晶粒取向下物理气相沉积Ti薄膜的生长和晶粒演化进行了三维相场模拟，同时考虑了其形貌和晶粒取向的演化。模拟结果表明：在较低沉积速率下形成的Ti薄膜表面存在明显取向的纹理结构，Ti薄膜表面粗糙度与晶粒取向差呈正相关；同时，模拟获得的表面粗糙度与实验结果吻合较好。

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.