The development of a three-dimensional, multiscale computational fluid dynamics (CFD) model is presented here which aims to capture the deposition of amorphous silicon thin films via plasma-enhanced chemical vapor deposition (PECVD). The macroscopic reactor scale and the microscopic thin film growth domains which define the multiscale model are linked using a dynamic boundary which is updated at the completion of each time step. A novel parallel processing scheme built around a message passing interface (MPI) structure, in conjunction with a distributed collection of kinetic Monte Carlo algorithms, is applied in order to allow for transient simulations to be conducted using a mesh with greater than 1.5 million cells. Due to the frequent issue of thickness non-uniformity in thin film production, an improved PECVD reactor design is proposed. The resulting geometry is shown to reduce the product offset from ∼ 25 nm to less than 13 nm using identical deposition parameters.

本文介绍了三维多尺度计算流体动力学（CFD）模型的开发，该模型旨在通过等离子增强化学气相沉积（PECVD）捕获非晶硅薄膜的沉积。使用动态边界链接定义多尺度模型的宏观反应堆规模和微观薄膜生长域，该动态边界在每个时间步骤完成时进行更新。一种新颖的并行处理方案是围绕消息传递接口（MPI）结构构建的，并结合了动态蒙特卡洛算法的分布式集合，以便允许使用具有超过150万个单元的网格进行瞬态仿真。由于薄膜生产中经常出现厚度不均匀的问题，提出了一种改进的PECVD反应器设计。