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利用分子动力学模拟方法,从原子尺度上研究了类金刚石(DLC)薄膜生长过程.按照运动特点把入射原子在表面的行为分为表面冷冻、迁移、注入和反弹等四种,并由此提出原子运动模型.入射原子的表面行为对DLC薄膜的微观结构以及生长方式有重要影响.其中原子水平迁移是薄膜热弛豫的主要途径,入射原子的注入和迁移行为相互竞争,决定了薄膜生长的模式和最终结构.利用统计分析手段给出了入射能量对原子表面行为进而对薄膜结构的影响,加深了对DLC薄膜生长机理的认识.
Using molecular dynamics simulation method, the growth process of diamond-like carbon (DLC) films was studied from the atomic scale, and the behavior of the incident atoms on the surface was divided into four categories according to the motion characteristics: surface freezing, migration, injection and rebound Atomic motion model.The surface behavior of incident atoms has an important effect on the microstructure and growth mode of DLC films.Among them, the horizontal migration of atoms is the main way of thermal relaxation of the films, and the injection and migration of incident atoms compete with each other to determine the film growth Mode and the final structure.The influence of incident energy on the atomic surface behavior and then the film structure is given by means of statistical analysis and the recognition of the growth mechanism of DLC film is deepened.