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研究生:許祐彰
研究生(外文):YU-CHANG SHIU
論文名稱:分子動力學模擬單晶銅奈米溝槽切削及鏡面切削機制之研究
論文名稱(外文):Molecular Dynamics Simulation on Nanogroove Cutting and Mirror Cutting of Single Crystal Copper
指導教授:林原慶林原慶引用關係
指導教授(外文):Yuan-Ching Lin
學位類別:碩士
校院名稱:國立臺灣科技大學
系所名稱:機械工程系
學門:工程學門
學類:機械工程學類
論文種類:學術論文
論文出版年:2009
畢業學年度:97
語文別:中文
論文頁數:92
中文關鍵詞:切削奈米塑性行為溝槽切削鏡面切削分子動力學
外文關鍵詞:CuttingNanoNanogroove CuttingMirror CuttingMolecular Dynamics
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本論文使用分子動力學,模擬鑽石刀具對單晶銅在奈米尺寸下的切削,被切削的單晶銅使用嵌入式(EAM)勢能函數建構其模型,而銅對碳原子間的交互作用則使用二體的Morse勢能函數。
針對不同晶面以及不同方向的溝槽切削加工,探討不同切削條件下材料的滑動系統對溝槽邊幾何形狀的影響;而在高速切削中,則分析奈米鏡面切削的主要機制(Mechanism)。
模擬結果顯示,沿(001)晶面[-100]方向的溝槽切削,其溝槽邊呈現鋸齒狀,且在非切削處因大量差排同時射出而使表面有隆起狀;而(101)晶面[-101]方向的溝槽切削主要滑動面為(111)與(-11-1)晶面,此兩晶面洽好與刀具前進方向平行,若使用夾角120度的V型刀具,理論上可以切出完美的120度V型溝槽;此外,沿(101)晶面[0-10]方向的方形溝槽切削可以達到垂直度最佳的溝槽邊,原因是切削過程中所有滑動系統由(111)晶面主導,沒有其他的滑動系統干擾,故切削結果垂直度最佳,力量最小也較平穩,為三種條件的溝槽切削中溝槽形貌最佳的切削條件。
在奈米切削加工中,可利用高速切削機制來達到完美的加工表面。模擬結果顯示,400m/s到500m/s的切削速度可以達到此鏡面切削機制。過高的速度會因表面熔化層過深而原子黏附在刀腹上,並且週期性脫落在已切削面上使切削過後的表面不佳,過低的速度則表面原子動能過小而無法啟動奈米鏡面切削機制。
This study analyzes nano cutting on single crystal copper with diamond tool by molecular dynamics. The interactions between Cu atoms in the workpiece are described by embedded-atom method(EAM) potential and interactions between Cu atoms and C atoms are described by two body potential.
On different plane and different direction of groove cutting, analyze the effect on the shape of groove edge in various cutting condition. In high cutting speed, analyze the main mechanism on nanometric mirror cutting.
The simulation results show that when the cutting direction is along [-100] direction on (001) plane, the groove edge shows sawtooth and surface on non-cutting place was raised. As the cutting direction is along [-101] direction on (101) plane, the main slip system are (111) plane and (-11-1) plane, if using cutting tool which tool edge is 120 degree, the groove edge of included angle will be ideal 120 degree. The cutting direction is along the [0-10] direction on the (101) plane can cut vertical groove edge, and the cutting force is smaller than other cutting conditions.
In nano cutting process, it can use high cutting speed to complete the ideal workpiece surface. Simulation results show that nano mirror cutting speed range from about 400m/s to 500m/s. Too high or too small cutting speed unable to cut the ideal workpiece surface.
摘要.....................................................I
目錄...................................................III
表索引...................................................V
圖索引..................................................VI
第一章 序論..............................................1
1-1研究動機及目的........................................1
1-2分子動力學理論與文獻探討..............................4
第二章 分子動力學基礎理論................................8
2-1分子動力學的基本假設..................................8
2-2勢能函數..............................................8
2-3運動方程式與演算法...................................12
2-4 Verlet 表列法.......................................15
2-5週期性邊界...........................................16
2-6最小映像法則.........................................16
2-7無因次化.............................................17
2-8 Centrosymmetry參數..................................18
2-9正交切削的假設.......................................19
第三章 模擬步驟與模型建立...............................21
3-1模擬步驟.............................................21
3-1-1初始設定......................................21
3-1-2平衡..........................................23
3-1-3動態模擬......................................24
第四章 結果與討論.......................................26
4-1銅的奈米溝槽切削.....................................26
4-1-1(001)[ ]單晶銅的溝槽切削行為分析..............26
4-1-2(101)[ ]單晶銅的溝槽切削行為分析..............29
4-1-3(101)[ ]單晶銅的溝槽切削行為分析..............32
4-1-4單晶銅不同條件溝槽切削的力量分析..............34
4-1-5單晶銅不同結晶方位溝槽切削的形貌分析..........35
4-2不同切削速度對單晶銅塑性變形以及表面粗糙度的影響.....37
4-3奈米鏡面切削形成機構.................................40
4-3-1奈米鏡面切削機理..............................40
4-3-2不同切削速度對奈米鏡面切削的影響..............41
第五章 結論與建議.......................................43
5-1 結論................................................43
5-2 未來研究方向與建議..................................44
參考文獻................................................45
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