摘要
本文的目的是以分子動力學理論，研究在雷射輔助下對於奈米鋁基材的拋光行為，並進行實驗與之比較。以fcc結構的鋁基材作為分子動力學模擬的拋光工件。本文數值方法使用Gear五階預測修正法來計算微系統原子的位置、速度與加速度，並配合Verlet鄰近表列法和Morse勢能函數來處理分子間的相互作用力。
數值模擬的內容主要分成三部份：第一部分將討論以鎳金屬為磨粒、鋁金屬為平板的奈米拋光過程中，整個系統的受力以及溫度變化情形。第二部份則探討雷射能量的高低對拋光過程中，工件的溫度分布以及受力之影響。第三部份則是針對奈米拋光的加工機制來做區分以及探討。
由數值模擬可以發現：（1）磨粒在經過工件之後會將工件原子移除，這可以視為在拋光時的真實行為。（2）雷射的能量會讓工件表面溫度瞬間上升，而減少熱影響區的範圍。（3）雷射造成的溫升可以減少拋光時磨粒對工件的施力。（4）加入雷射可以改善拋光過程中工件變形。

Abstract
The objective of this thesis is to study the laser-assisted nanopolishing phenomena of aluminum substrate with nickel particle by molecular dynamics theory, and the results are compared with experiments. The Gear’s fifth order predictor-corrector algorithms is adapted to calculate the positions, velocities, and accelerations of atoms under various displacement condition while the interactions of atoms are dealt with Verlet’s neighbor lists and Morse’s potential.
The numerical simulation is to study the force of nanopolishing and temperature distribution of substrate with various laser energy densities, and investigate the mechanism of nanopolishing.
In the numerical simulations, it can be found：(1) The nickel particle will remove aluminum atoms of substrate during the polishing processes. (2) The laser energy will increase the temperature of workpiece surface. The heating effect can reduce the local heat affected zone. (3) The force between particle and workpiece is decreased with increasing temperature by laser irradiation. (4) The laser can improve the surface quality of workpiece.

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