金刚石膜中黑色缺陷形成过程的计算机模拟

Simulation on dark features in diamond films produced by DC arc plasma jet method

多晶金刚石膜中的黑色缺陷是影响材料光学、电学性能的一种重要缺陷。利用水平集方法对黑色缺陷的形成过程进行了模拟。模拟的基本假设为:黑色缺陷形成的基本条件为相邻晶粒间的晶界环境使活性气体扩散的过程难以进行,形成了一种形如"峡谷"状的、相邻晶面夹角<30°的局部环境。金刚石膜的生长参数α2d值由1.3改变为1.5,在其晶粒表面{11}面上形成孪晶。孪晶的长大促进了黑色缺陷的形成。

Dark feature is important for optical and electrical performance of polycrystal diamond films.Formation mechanism on dark features was simulated and the model was established by level-set method.The simulation basic assumption： Dark features were formed at ＂canyon＂ grain boundary where separation angle of adjacent crystal faces was less than 30° and diffusion was difficult for gas.A large number of penetration twins were formed at face as α2d changed from 1.3 to 1.5.The number of dark features was accelerated by growth of twins.