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采用分子动力学 (MD)模拟研究了离子束辅助沉积 (1BAD)生长类金刚石 (DLC)膜的物理过程 .分别选C2 分子和Ar离子作为沉积源和辅助沉积粒子 .改变Ar的入射能量和到达比 (Ar/C) ,研究了它对DLC膜结构的影响 .重点讨论了Ar辅助沉积引起表面原子的瞬间活性变化对薄膜结构产生的影响 .分析表明 ,由于Ar离子的轰击引起的能量和动量的传递 ,大大地增强了C原子在表面的反冲动能及迁移概率 ,增加了合成薄膜的SP3键含量 .研究结果和实验观察一致 ,并从合成机理上给出了一些定量解释 .
The molecular dynamics (MD) simulation was used to study the physical process of the DLC film grown by ion beam assisted deposition (IBAD). C2 molecules and Ar ions were selected as the deposition source and the auxiliary deposition particles, respectively. Changing the incident energy of Ar and reaching (Ar / C) on the structure of DLC films was investigated, and the effect of the instantaneous activation of the surface atoms on the structure of the films due to Ar-assisted deposition was discussed. The results show that the energy and momentum due to Ar ion bombardment , Greatly enhanced the recoil kinetic energy and migration probability of C atom on the surface and increased the content of SP3 bond of the synthesized film.The results are consistent with the experimental observations and some quantitative explanations are given based on the synthetic mechanism.