在巨觀世界中，物件彼此之間所主導的作用力和奈米尺度的物件之間所主導的作用力是非常不同的。隨著物件尺度縮減至奈米尺度，量子現象和表面效應便逐漸地浮現。因此我們使用分子動力學來模擬奈米物件間的的作用。而這篇論文的主要目的就是要利用分子動力學來模擬在鍍金的原子力顯微鏡 (Atomic Force Microscopy) 探針和鍍金基材之間的靜電效應。
在分子動力學中，我們採用Morse勢能函數來描述金原子間的作用力，而整個原子架構是採用面心立方(FCC)的排列方式。因為所模擬的模型僅是實際元件的一部份，因此我們利用邊界條件的設定來彌補不足。整個模型分為兩個部分：一是由664顆金原子所組成的角錐形探針；另一是由2400顆金原子所組成的長方體基材。為了驗證模擬的結果，我們實際利用原子力顯微鏡來做實驗。

無論從模擬或實驗結果皆顯示，黏著作用 (Adhesive interaction)和原子傳輸 (Atom transfer) 皆隨探針和基材之間的電壓增加而增加，此亦證明靜電效應對於鍍金原子力顯微鏡探針和鍍金基材之間的黏著作用和原子傳輸具有增益的效用。

Interactions between macroscopic objects are quite different from those between nano-scale ones. When the size of a device is reduced to micrometer or even nanometer level, quantum and surface effects appear. This thesis presented molecular dynamics simulation and experiments to investigate the phenomenon of adhesion among nano-objects and the adhesion enhanced by externally applied electrostatic field. As an example, the enhancement of adhesion between the gold-coated atomic force microscopy (AFM) tip and the gold-coated substrate due to the application of electrostatic field were studied.
The Morse potential was employed in the molecular dynamics simulation, which governs the force interactions between gold atoms. The simulation model was composed of the gold-coated parts of the AFM tip and substrate, which was connected to the rest parts of AFM tip and substrate by the use of boundary conditions. The gold atoms were arranged in order according to face centric cubic (FCC) structure. The tip with the pyramidal shape was formed from 664 gold atoms, and the substrate with the cuboid shape was formed from 2400 gold atoms. An experimental study is conducted by using AFM that interacted with the substrate in order to prove the results of the molecular dynamics simulation. Finally, the results obtained from both molecular dynamics simulation and experiments showed that the electrostatic field could enhance the adhesion and the number of atoms transferred from the gold-coated AFM tip to the gold-coated substrate. In addition, the adhesion force and the number of atom transfer increased with the raise of bias voltage between the tip and the substrate.

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