采用分子动力学方法模拟Ti在A1(001)表面的薄膜生长过程,计算不同入射角度下雨薄膜的表面粗糙度、堆积密度、径向分布函数、键对含量比。结果表明,当入射角度小于30°时,其对Ti薄膜粗糙度、堆积密度的影响很小,而当入射角度大于30。时,Ti薄膜粗糙度增加、堆积密度下降;入射角度对Ti薄膜微观结构的影响很小,且Ti薄膜以fcc结构为主。
Molecular dynamics method was used to simulate the film growth process of Ti atoms depositing on AI(001) substrate under various incident angles. Root-mean-square roughness, packing density, radial distribution function and the percentage of pair bonds of Ti thin film were calculated. The results indicate that the effects of incident angle on surface roughness and packing density are weak when the incident angle is smaller than 30° but when the incident angle is larger than 30°, the surface roughness increases and the packing density decreases. Increasing the incident angle has minor effects on the microstructure of Ti thin film, growing with an fcc structure.