臺灣博碩士論文加值系統

本研究使用分子動力學模擬研究了鑽石刮刻在銅工件表面的加工過程。分析單晶銅和晶粒尺寸為30、45、60和75 Å的多晶銅工件。並探討不同刀具形狀，例如球形，方形及圓錐形對原子應變、堆積、剪切應力、溫度及晶粒尺寸的影響。嵌入原子法(EAM)和Lennard-Jones勢能分別描述銅-銅和銅-碳的交互作用。結果顯示，在單晶銅加工，刀具形狀明顯影響銅工件之變形行為與應力。球形刀具在相同的刮刻深度10 Å與單晶銅工件產生最顯著的力，而錐體產生的力為最低。然而，比較應變、應力和溫度率時，具有尖角的方形刀具觀察到最高值，而錐體產生的值最低。此外，方形刀具還創造了堆積的最高價值。對於多晶銅，增加晶粒尺寸會導致較小的力和硬度。變形行為說明晶界對於抑制應變和應力的傳播至關重要。應力和應變不僅在刀尖和基板之間的接觸區域，而且還集中在晶界和相鄰晶界區域。本研究有助於說明刀具形狀對工件材料變形行為和表面形態的影響。

This thesis surveys the process of a rigid diamond abrasive that scratches a copper workpiece surface using molecular dynamics (MD) simulation. The simulation has studied the structural states of the copper workpiece influences of the single crystal and the effects of polycrystalline copper with the grain size of 75, 60, 45, and 30 Å. The influences of various machining tool shapes such as spherical, block, and conical shapes on the atomic strain, pile-up, shear stress, temperature, and grain sizes are reviewed. The embedded atom method (EAM) and Lennard-Jones (LJ) potential are used to model the copper - copper and copper - carbon interaction. The results show that the tool shapes strongly affect the deformation behavior and stress in the single-crystal copper. The spherical tool shape generates the most significant force with the single-crystal copper at the same 10 Å depth, while the cone produces the lowest. However, when comparing the strain, stress, and temperature rate, the block tool with sharp corners creates the highest values, while the conical induces the lowest values. Moreover, the block tool also makes the highest value of pile-up. With polycrystalline copper, increasing grain sizes lead to smaller force and hardness. The deformation behavior displays that grain boundaries are crucial in inhibiting the spread of strain and stress. The stress and strain are concentrated not only in the contact region between the tooltip and substrate but also in the grain boundary and adjacent grain boundary areas. This report helps clarify the effect of tool shape on the workpiece’s material deformation and surface morphology.

摘要 i
ABSTRACT ii
Acknowledgements iv
Contents v
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 3
CHAPTER 2 LITERATURE REVIEW 5
2.1 Grinding process 5
2.2 Nano scratching process 6
CHAPTER 3 SIMULATION METHODS 8
3.1 Copper model 8
3.2 Interatomic potentials 10
3.3 The software for the simulations 13
CHAPTER 4 RESULTS AND DISCUSSIONS 14
4.1 Influences of single crystal copper with sphere tool shape on scratching process 14
4.1.1 Effect of sphere tool with different velocities 14
4.1.2 Effect of scratching depth with the diamond sphere tool. 22
4.1.3 Effect of temperature with diamond sphere tool 27
4.2 Influences of single crystal copper of sphere, block, and cone tool shape on scratching process 33
4.3 Influences of polycrystalline copper with sphere tool shape on scratching process 40
4.4 Summary and comparison 48
CHAPTER 5 CONCLUSIONS 50
References 51
Curriculum vitae 61

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