臺灣博碩士論文加值系統

本研究為了探討寬帶隙半導體材料的奈米摩擦學和界面力學，分別建構四種結晶SiC、非晶SiC/SiC、結晶GaN和類鑽石的碳/Si模型。結晶SiC結果表明，因為刮刻的作用，粗糙度會被拉長並轉變為非晶固態；在滾動作用中，x軸會有大量的原子被去除，負z軸上則有最低的粗糙高度，這表明了磨料在滾動時表面的原子會明顯的被吸附和去除，且去除的原子數和粗糙高度的變化會隨著振動的振幅和頻率增加而波動。對於a-SiC/SiC模型，增加深度會提升力、應變、應力、溫度和移除的原子數量。且a-SiC能有效地降低磨料與SiC基底的接觸，尤其是在拋光深度不高於a-SiC膜厚的情況下。滑動運動是以刮刻和切削為主要的去除機制，而滾動運動則是黏附機制。與滾動相比，滑動會產生更多的移除原子、更光滑的表面、更淺的SSD和更低的應力。對於GaN晶體模型，當磨料以5.0 Å深度穿過粗糙表面時會發生黏滑行為，從而導致表面上出現應力、結構變化和原子應變等周期性特徵。在5.0 Å深度處，與滑動運動相比，滾動運動會有較高的原子去除速率，磨料穿越凹凸不平的波峰會比在波谷時造成更多的變形和材料去除。對於DLC/Si模型，類石墨原子的百分比會因為加工後的石墨化過程而有所增加。提升基板溫度也會導致加工區的局部溫度和類石墨原子的數量增加。此外，在DLC膜中摻雜Si原子會導致其彈性變形率降低和類金剛石原子數量增加。較高的矽比例也易於降低應力與提升基板溫度。提高滾動速度則會導致剪切應力輕微的上升和工件溫度的顯著提高。

This study examines the nanotribological and interfacial mechanics of some wide bandgap semiconductor materials. Four models with crystalline SiC, amorphous SiC/SiC, crystalline GaN, and diamond-like carbon/Si are surveyed. With the crystalline SiC model, in sliding movement, the asperity is lengthened and transformed into an amorphous solid state. In rolling motions, the rolling movement in the x-axis gains the highest number of atoms removed while the rolling movement in the reverse z-axis achieves the lowest asperity height. The asperity atoms are adhered to and removed effectively by the abrasive surface while it is rolling. The number of atoms wiped out and the asperity height fluctuate as increasing the amplitude and the frequency in vibrating motions. With the a-SiC/SiC model, increasing the depths gives rises to the force, strain, stress, temperature, and the number of atoms removed. The a-SiC declines the collision of the abrasive to the crystalline SiC substrate, especially if the polishing depth is not higher than the a-SiC film thickness. The removal mechanisms of the sliding motion are ploughing and cutting, while the rolling motion experiences the adhering mechanism. The sliding motion creates a higher number of atoms removed, smoother surface, shallower SSD, and lower stress than the rolling one. With the crystalline GaN model, the stick-slip behaviour occurs when the abrasive crosses the asperity system at 5.0 Å, causing the periodic marks of stress, structure change, and atomic strain on the surface. At 5.0 Å depth, compared to the sliding motion, the rolling motion shows a higher rate of removing the workpiece atoms. Along the asperity, moving through the asperity peak leads to greater deformation and material removal than in the valley. With the DLC/Si model, the percentage of graphite-like atoms rises due to the graphitization process after machining. Rising the substrate temperature gives rise to the local temperature in the machined zone and the number of graphite-like atoms. Furthermore, doping Si atoms to the DLC film results in a reduction in the elastic deformation rate and a rise in the number of diamond-like atoms. A higher Si rate tends to decline the stress and rise the substrate temperature. Improving the rolling velocity leads to a minor rise in shear stress and a significant enhancement of the workpiece temperature.

摘要　i
ABSTRACT ii
Acknowledgments iv
List of symbols vii
List of table captions viii
List of figure captions ix

Chapter 1 Introduction 1
1.1 Overview 1
1.2 Thesis Objectives 3
1.3 Thesis Outline 4

Chapter 2 Literature review 5
1.2 Grinding and chemical mechanical planarization 5
2.2 Nano scratching process 7

Chapter 3 Simulation methods 10
3.1 Crystal SiC model 10
3.2 Amorphous SiC model 11
3.3 Crystal GaN model 13
3.4 DLC/Si model 15
3.5 Interatomic potentials 16
3.6 Selecting software for the simulations 17

Chapter 4 Nanotribological behaviors and interfacial mechanics of crystal SiC 18
4.1 Sliding motion 18
4.2 Rolling motion 23
4.3 Vibrating motion 29

Chapter 5 Nanotribological behaviors and interfacial mechanics of a-SiC/SiC 35
5.1 Sliding motion: effects of the polishing depth and velocity 35
5.2 Rolling motion: effect of the polishing depth and velocity 42
5.3 Effect of abrasive size and a-SiC thickness 50

Chapter 6 Nanotribological behaviors and interfacial mechanics of GaN 58
6.1 Machining across the asperity 58
6.2 Machining along the asperity 66
6.3 Machining with different abrasive size and orientation 72

Chapter 7 Nanotribological behaviors and interfacial mechanics of DLC/Diamond 78
7.1 Effect of machining depth and speed 78
7.2 Effect of substrate temperature and Si-dope DLC thin film 86
7.3 Effect of tool shape and rolling motion 92

Chapter 8 Conclusions 100
References 102
Curriculum vitae 116
Publication list 117

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