臺灣博碩士論文加值系統

表面接觸模式的發展扮演著一個推進接觸力學的演進，以應用於研究與探討物理現象包含磨耗、摩擦與熱傳導等的重要角色。近年來，奈米科技的發展與精密元件的微小化，使得對於奈米尺度下介面現象的了解成為一個刻不容緩的議題。本文利用非線性有限元素的計算架構建立了原子模型之有限元素法去探討單一粗糙峰接觸的變形機制與介面現象。此模擬方法屬於半靜態模擬，因此不需要考慮平板下壓的速度問題，大大地減少電腦運算所花費的時間。
由平板下壓銅粗糙峰的模擬結果可知，von Mises應力集中是造成粗糙峰內銅原子產生滑移的主要因素，在奈米尺度下所觀察到的塑性變形機制為局部高應力造成原子結晶結構不穩定而導致原子滑移的產生。本文的模擬結果發現，奈米尺度下側向接觸面積成長的機制為原子間的滑移，而差排在巨觀下的表現即為塑性變形，此結果應證了側向接觸面積成長為一塑性變形的過程之論點。此外，吸附層的存在會大大地阻礙側向接觸面積成長的發生直到干涉量大到足以在平板下壓的過程中排開吸附層原子而使平板與粗糙峰之間有接觸為止。在不具吸附層的摩擦接觸分析中顯示出，側向力會隨著平板側向移動距離的增加而上升，直到側向接觸面積成長終止，此時也會得到一個最大的側向力係數值。觀察模擬結果可以發現，側向力曲線趨勢的變化可以當作用來判斷側向接觸面積成長的終止與黏滑運動的開始之物理指標。吸附層的存在會大大地隔開平板與吸附層而阻礙黏滑運動的發生，使得側向力曲線的趨勢由不具吸附層的鋸齒狀型態變成正弦曲線的型態。本文從奈米尺度觀點提供了側向接觸面積成長一有價值的詮釋。

The development of microcontact models plays a key role to enhance the contact mechanics in studying and modeling physical phenomena in various fields such as wear, friction and thermal conductivity. The recent drive to reduce the characteristic size of devices prompted by the evolution of nanotechnology renders the understanding of interfacial phenomena at the nanoscale a pivotal issue. This dissertation applies an alternative approach based on the finite element formulation using atomic model to investigate the deformation mechanism interfacial phenomenon of a single contact asperity. The computation in this way is quasi-static, thereby greatly reducing the computing time.
This approach is utilized to elucidate the deformation mechanism and interfacial phenomenon of a single asperity contact. The results present that the concentration of the von Mises stress leads to the slips of asperity atoms. The plastic deformation mechanism at the nanoscale is the high stress which leads to an unstable crystal structure and slips of atoms. Our results correlate the incipient lateral junction growth with the slips of asperity atoms, which substantiates the proposition that the junction growth is a plastic deformation process. Furthermore, the presence of an adsorbed layer on the asperity surface significantly delays the onset of lateral junction growth until the level of contact interference is such that the adsorbed layer is splayed out from the interface resulting in a direct contact between the asperity and the flat surface. For the results without adsorbed layers, it shows that the lateral force increases with an increasing lateral displacement of flat until the point at which junction growth ceases, which corresponds to the point of maximum tangential force coefficient. The transition of lateral force type profile plays a role of physical indicator to evaluate the cease of lateral junction growth and beginning of stick-slip motion. The presence of an adsorbed layer significantly hinders the stick-slip motion and leads a sinusoidal type profile of lateral force. This dissertation provides a valuable interpretation of the lateral junction growth phenomenon from a nanoscale perspective.

目 錄
摘要……………………………………………………………………Ⅰ
英文摘要………………………………………………………………Ⅲ
致謝……………………………………………………………………Ⅴ
目錄……………………………………………………………………Ⅵ
表目錄…………………………………………………………………IⅩ
圖目錄…………………………………………………………………Ⅹ
符號表…………………………………………………………………XVI
第一章 緒論…………………………………………………………1
1-1 前言………………………………………………………………1
1-2 表面接觸力學理論模式…………………………………………4
1-3 奈米力學之文獻回顧……………………………………………12
1-4 側向接觸面積成長與吸附層……………………………………13
1-5 研究動機及目的…………………………………………………16
1-6 本文架構…………………………………………………………18
第二章 數值模擬方法………………………………………………25
2-1 分子模擬方法……………………………………………………25
2-2 分子作用力及勢能函數…………………………………………29
2-2-1 粗糙峰與剛性平板間的作用力……………………………30
2-2-2 表面吸附層之間的作用勢能………………………………31
2-2-3 分子鏈鍵結…………………………………………………32
2-2-4 鏈狀物對鏈狀物、鏈狀物對銅原子、鏈狀物對碳原子 (Lennard-Jones potential)…………………………………………34
2-3 截斷半徑…………………………………………………………36
2-4 表列法……………………………………………………………38
2-5 平衡方程式的建立………………………………………………40
2-6 邊界限制條件……………………………………………………44
2-7 應力應變分析方法………………………………………………47
2-8 差排與滑移向量分析……………………………………………50
2-9 模擬流程圖………………………………………………………53
第三章 模擬結果與討論……………………………………………65
3-1 模型架構之設定與參數驗證……………………………………65
3-2 二維模型模擬分析 – 平板與粗糙峰間無吸附力……………67
3-3 二維模型模擬分析 – 平板與粗糙峰間具吸附力……………72
3-4 二維模型模擬分析 – 平板與粗糙峰間具吸附力的滑動接觸 (Sliding Contact)…………………………………………………77
3-5 二維模型模擬分析 – 平板與粗糙峰間具吸附力的滑移接觸 (Sliding Contact)(長距離移動平板以觀察平板所受的正向力的變化)……………………………………………………………………84
3-6 二維模型模擬分析 – 平板與粗糙峰間具表面吸附層………89
3-7 二維模型模擬分析 – 平板與粗糙峰間具表面吸附層之滑動觸……………………………………………………98
3-8 二維模型模擬分析 – 吸附層對側向接觸面積成長的影響………………………………………………………………………105
3-9 二維模型模擬分析 – 吸附層對正向力、側向力與側向力係數的影響…………………………………………………………………113
3-10三維模型模擬分析 – 平板與粗糙峰間具吸附力之滑動接觸……………………………………………………………………123
3-10-1 不同干涉量下側向拉動平板的滑動接觸…………………124
3-10-2 同干涉量、不同滑動角度下側向拉動平板的滑動接觸……………………………………………………………………127
第四章 結論與建議…………………………………………………209
4-1 結論……………………………………………………………209
4-2 未來研究方向的建議…………………………………………211
參考文獻……………………………………………………………212
自述…………………………………………………………………221

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