摘 要
由以往的實驗經驗中發現，薄膜的膜質結構與表面粗糙度與入射源有相當大的關聯，例如入射原子的動能及入射角度。基板的溫度也會影響膜質的結構。本文以分子動力學為基礎架構一個三維的模擬系統，以原子嵌入法作為鋁原子間的勢能函數，模擬鋁薄膜成長時的暫態行為及薄膜膜層中原子堆疊的幾何結構，藉由改變環境參數，如入射粒子動能、入射角度及基板溫度觀察薄膜的生長過程，希望藉由模擬的結果探討以上三種環境因素對膜質結構的影響。進而改善製鍍薄膜的技術，使得製鍍的成品性質更加良好。

Abstract
The morphology and microstructure of metallic thin films synthesized by physical vapor deposition are known to be sensitive functions of the incident flux, its angular distribution and kinetic energy as well as the substrate temperature. Using an embedded atom method to represent the atomic interactions, three-dimensional molecular dynamics simulations have been conducted to identify the role of these variables upon surface morphology involution during Aluminum deposition. The results reveal increasing incident atoms’ energy in the range 0.1-3.0ev range significantly reduce vacancy formation. Increases incident angle will increase vacancy formation. During substrate temperature from 300K to 500K, increasing the temperature reduces surface roughness. However, when substrate temperature larger than 500 K, vacancy formation by hillock. Using Ta atom as a surfactant to reduce surface roughness have been simulated.

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