類鑽碳薄膜(Diamond-like carbon film)具有優良的力學性質同時也兼具良好的導電性質。其中藉由碳團簇所沉積而成之類鑽碳薄膜主要是以極佳的導電性著稱，也就是內部sp2石墨結構含量較高。而本文利用分子動力學模擬C20、C60與C80三種團簇沉積於矽基板成長類鑽碳薄膜，並觀察其結構與鍵結含量，而影響機械性質的sp3鑽石結構含量是本研究所關心的重點。
經過模擬分析之後，發現各種團簇在記憶效應的表現上不完全相同，而隨著入射能量增加，各種團簇之結構其扭曲變形的情形皆會跟著增加，使得團簇記憶效應逐漸消失；同時，各種團簇所沉積出的薄膜會因為團簇記憶效應消失，進而增加團簇間原子的作用機會，除了使整體薄膜品質獲得提升外，sp3鑽石結構之含量也會相對增加。針對不同團簇對薄膜各項參數之影響，本文除了從原子的觀點作討論外，也與實驗觀察到的現象有著相同的趨勢。

Diamond-like carbon film was characterized by excellent mechanical and electronic properties. Diamond-like carbon film which deposited by carbon clusters was famous for its excellent electronic properties, and its fraction of graphite (sp2 bonds) is higher. This research used Molecular Dynamics to simulate the growth of Diamond-like carbon film on Si substrate by three kinds of clusters, C20, C60, and C80. And investigated the structure and the bonds content of the films, however the fraction of diamond (sp3 bonds) which relates to mechanical properties was what this research concerned.
After the analysis, we found that the memory effect on various cluster was different. However, with the incident energy increased, the memory effect in various clusters disappeared gradually with the distortion and deformation of the clusters. Meanwhile, because the disappearance of the memory effect, the atoms in all of the films which deposited by various clusters will have more chances to interact with each other atoms. It improved the quality of the films and increased the sp3 fraction. This research discussed the effect of various clusters upon the parameters of the films except from the nanoscale viewpoints, the behaviors of the films which deposited by various clusters are almost in agreement with the results of experiments.

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