用计算机模拟薄膜生长过程的KMC方法

以有表面活性剂介入的Cu薄膜为例，用Kinetic Monte Carlo方法对薄膜生长的随机过程进行了计算机模拟，并对所提出的模型和Kinetic Monte Carlo算法进行了详尽描述．在实现动力学生长过程及物理模型向计算机语言及算法的转化过程中，不仅构建了模拟薄膜生长过程的主体流程图，并且将主体流程图分解成了原子吸附事件流程图、原子迁移事件过程流程图、“小事件”列表刷新流程图和事件列表刷新示意图四个部分，分别对其进行说明和阐述．可以看出在薄膜领域中，计算机模拟在理论和实验这两方面的研究中都发挥了重要作用，Kinetic Monte Carlo方法也已经成了解决薄膜生长相关问题的必要工具．

KMC technique of computer simulation of thin-film growth

A three-dimensional Kinetic Monte Carlo technique has been developed for simulating the growth of thin Cu films in which the surfactant is participated,and the model and the Kinetic Monte Carlo technique was expounded.In the process of the translation from physical model to the computer language and arithmetic,the main flow chart of the dynamics process of thin-film growth was not only designed,but also separated into four parts:the flow chart of the processes of atomic deposition events,the flow chart of the processes of diffusion event,the flow chart of the refreshed processes of small event list,and the sketch map of the refreshed processes of event list,and were expounded respectively.The results showed that an important effect was produced by the computer simulation in the theory study and experiment study of the film field.Kinetic Monte Carlo technique has been an essential implement for resolving problems about thin-film growth.