光學薄膜的鍍製為理論設計的實現，如何能在實際製成中製鍍出與設計較為相符、品質較好的薄膜，製鍍過程中各個環境參數的選擇與控制便是最為重要的關鍵。然而怎樣的參數會形成怎樣的膜質，目前並沒有一套相當完整的理論。再者，對於成膜過程中的暫態行為和機制，以及膜層微觀下的結構或特性，以實驗分析的方式並無法提供相當足夠的資訊。因此以分子動力學模擬(MD,Molecular Dynamics)的方法，探討薄膜成長的過程和機制，以及其微觀結構下的各種現象。本文首先架構一個二維的模擬系統，並改變基板的溫度、靶材原子的入射動能、沈積速率以及入射角度之值，再由模擬之結果探討各種環境參數對膜層所造成的影響。

Optical coating is a process in which a theoretical design is put into practice. The key to a successful production of high-quality thin film faithful to its original design is the choice and precise control of environment parameters during the deposition process. However, the relation between those parameters and the characteristics of thin film is not completely understood yet. Moreover, experiments have not been able to provide enough information with regard to the dynamic behavior and mechanism of thin film in the formation process and its microstructure and characteristics. Therefore this study takes a different approach and makes use of molecular dynamics simulation to construct a two-dimensional simulation system. Substrate temperature, incident kinetic energy, deposition rate, and incident angle are variables. The simulation results are then discussed to investigate the effects of the various environment parameters on thin film.

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