(3.238.235.155) 您好!臺灣時間:2021/05/11 18:31
字體大小: 字級放大   字級縮小   預設字形  
回查詢結果

詳目顯示:::

我願授權國圖
: 
twitterline
研究生:張博皓
研究生(外文):Bo-HaoChang
論文名稱:以分子動力學模擬鈷化學機械研磨在不同幾何模型下的奈米摩擦行為
論文名稱(外文):The Nano-Tribological Behavior of Cobalt Chemical Mechanical Polishing under Different Geometric Models by Molecular Dynamics Simulations
指導教授:陳鐵城
指導教授(外文):Tei-Chen Chen
學位類別:碩士
校院名稱:國立成功大學
系所名稱:機械工程學系
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:2020
畢業學年度:108
語文別:中文
論文頁數:87
中文關鍵詞:分子動力學模擬化學機械研磨奈米摩擦
外文關鍵詞:Molecular Dynamics SimulationsChemical Mechanical PolishingNano FrictionCobalt
相關次數:
  • 被引用被引用:0
  • 點閱點閱:43
  • 評分評分:系統版面圖檔系統版面圖檔系統版面圖檔系統版面圖檔系統版面圖檔
  • 下載下載:0
  • 收藏至我的研究室書目清單書目收藏:0
本論文旨在分析於奈米尺度下,鈷化學機械研磨製程中,研磨液的磨料二氧化矽與鈷金屬導線之間的摩擦行為與其所表現的機械性質。本研究採用分子動力學作為理論基礎,並搭配數值軟體LAMMPS分別建立磨料二氧化矽粗糙面對導線鈷粗糙面及磨料二氧化矽粗糙面對導線鈷平坦面這兩種模型進行不同的研磨參數如干涉值、粗糙度、速度之奈米摩擦模擬。模擬結果顯示,對於磨料二氧化矽粗糙面摩擦導線鈷粗糙面這組模型而言,干涉值的改變對於摩擦力、法向力及原子移除率都有顯著的影響;粗糙度的增加對於摩擦力與法向力有微幅的上升,但原子移除率則是隨之下降;速度的改變對於摩擦力、法向力及原子移除率皆無影響,僅能影響摩擦模擬的時間及作用區間之長短。而對於磨料二氧化矽粗糙面摩擦導線鈷平坦面這組模型而言,干涉值的改變對於摩擦力、法向力同樣有顯著的影響,並且從中發現了stick-slip現象;粗糙度的增加,使得摩擦力與法向力有些微的上升,鈷平坦面上的切屑也隨之減少並因而得到相對良好的表面加工品質;速度的增加除了讓摩擦力有些許的提升,同樣還能影響摩擦模擬的時間及作用區間之長短。本研究除了探討改變研磨參數的定向分析之外,還對這兩種不同的模型於奈米摩擦模擬過程中,內部應變及微結構變化進行詳細的探討,更能充分了解這兩種模型在相對應的實際情況下,其所表現出來的破壞機制與變形行為。
The purpose of this study is to analyze the friction behavior and mechanical properties between the abrasive silicon dioxide particles and the cobalt metal conductor wire in the cobalt chemical mechanical polishing process at the nanoscale. This study uses molecular dynamics as the theoretical basis and uses numerical software LAMMPS to establish two models of SiO2-Co: 1. Asperity surface-Asperity surface 2. Asperity surface-Flat surface. Then change three parameters such as interference value, roughness and velocity to simulate nano-tribological behavior. According to the simulation results, for model 1, the change of the interference value has a significant effect on friction, normal force and atomic removal rate. The increase in roughness slightly increases the friction and normal forces, but the atomic removal rate decreases accordingly. The change of velocity has no effect on friction force, normal force and atomic removal rate. It can only affect the time of friction simulation and the length of action interval. For model 2, the change of the interference value also has a significant effect on the frictional force and the normal force, and the stick-slip phenomenon was found in it. As the roughness increases, the frictional force and normal force increase slightly, and the chips on the cobalt flat surface also decrease. The increase in velocity not only increases the friction slightly, but also affects the duration and duration of friction simulation. In addition to discussing the directional analysis of changing parameters, this study also discussed the internal strain and microstructure changes of these two different models in the process of nano-friction simulation. Corresponding to the actual situation, it shows the destruction mechanism and deformation behavior.
目錄
摘要 I
Extended Abstract II
誌謝 XV
目錄 XVI
表目錄 XIX
圖目錄 XXI
符號說明 XXIV
第一章 緒論 1
1-1 前言 1
1-2 文獻回顧 2
1-2-1 分子動力學之文獻回顧 2
1-2-2 奈米摩擦之文獻回顧 3
1-2-3 化學機械研磨之文獻回顧 4
1-3 研究動機與目的 5
1-4 本文架構 6
第二章 分子動力學之基本原理 7
2-1 分子動力學之基本理論與假設 7
2-2 分子動力學之求解方法 8
2-3 無因次化 12
2-4 截斷半徑與近鄰列表方法 13
2-4-1 截斷半徑 13
2-4-2 近鄰列表法 14
2-5 分子間作用力 17
2-6 勢能函數之簡介 18
2-6-1 二體勢能函數之簡介 18
2-6-2 多體勢能函數之簡介 20
2-7 系統初始條件 23
2-7-1 初始速度 23
2-7-2 系綜 23
2-7-3 系統之溫度修正 25
2-7-4 週期型邊界條件 26
2-8 原子級應變 27
第三章 模擬模型之建構與模擬流程 28
3-1 模擬軟體之簡介 28
3-2 初始模型之簡介 28
3-2-1 二氧化矽粗糙面對鈷粗糙面之參數設置與模型建立 29
3-2-2 二氧化矽粗糙面對鈷平坦面之參數設置與模型建立 32
3-3 模擬流程 34
3-4 模擬結果之分析 36
3-4-1 摩擦力 36
3-4-2 法向力 36
3-4-3 原子移除率 36
3-4-4 晶格結構變化 38
第四章 結果與討論 39
4-1 二氧化矽粗糙面與鈷粗糙面之奈米摩擦分析 39
4-1-1 奈米摩擦過程之分析 39
4-1-2 干涉值變化之分析 44
4-1-3 粗糙度變化之分析 50
4-1-4 速度變化之分析 57
4-2 二氧化矽粗糙面對鈷平坦面之奈米摩擦分析 63
4-2-1 奈米摩擦過程之分析 63
4-2-2 干涉值變化之分析 66
4-2-3 粗糙度變化之分析 70
4-2-4 速度變化之分析 75
第五章 結論與未來展望 80
5-1 結論 80
5-2 未來展望 81
參考文獻 82

參考文獻
[1]J. H. Irving and J. G. Kirkwood, The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics, The Journal of Chemical Physics, vol. 18, no. 6, pp. 817-829, 1950.
[2]B. J. Alder and T. E. Wainwright, Studies in molecular dynamics. I. General method, The Journal of Chemical Physics, vol. 31, no. 2, pp. 459-466, 1959.
[3]J. B. Gibson, A. N. Goland, M. Milgram, and G. H. Vineyard, Dynamics of radiation damage, Physical Review, vol. 120, pp. 1229-1253, 1960.
[4]A. Rahman, Correlations in the motion of atoms in liquid argon, Physical Review, vol. 136, pp. 405-441, 1964.
[5]G. Ciccotti and W. G. Hoover, Molecular-dynamics simulation of statistical-mechanical systems, North Holland, pp. 622, 1986.
[6]M. P. Allen and D. J. Tildesley, Computer simulation of liquids, Oxford, Claredon, 1987.
[7]J. M. Haile, Molecular dynamics simulation elementary methods, New York: Wiley, 1993.
[8]L. Verlet, Computer experiments on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules, Physical Review, vol. 159, pp. 98-103, 1967.
[9]B. Quentrec and C. J. J. o. C. P. Brot, New method for searching for neighbors in molecular dynamics computations, Journal of Computational Physics, vol. 159, no. 1, p. 98, 1967.
[10]D. J. Auerbach, W. Paul, A. F. Bakker, C. Lutz, W. E. Rudge, and F. F. Abraham, A special purpose parallel computer for molecular dynamics: motivation, design, implementation, and application, The Journal of Physical Chemistry, vol. 91, pp. 4881-4890, 1987.
[11]G. S. Grest, B. Dünweg, and K. Kremer, Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles, Computer Physics Communications, vol. 51, no. 3, pp. 269-285, 1989.
[12]D. Dowson (1998). History of tribology. London: Professional Engineering Publishing.
[13]G. Amontoms, De la resistance causée dans les machines, Mem. Acad. R. A, pp. 275-282, 1699.
[14]F. P. Bowden and D. Tabor (2001). The Friction and Lubrication of Solids. Kettering: Clarendon Press.
[15]M. H. Mu ̈ser, Rigorous field-theoretical approach to the contact mechanics of rough elastic solids, Physical Review Letter, vol. 100, p. 055504, 2008.
[16]B. N. J. Persson, Theory of rubber friction and contact mechanics, The Journal of Chemical Physics, vol. 115, pp. 3840-3861, 2001.
[17]J. Greenwood and J. Williamson, Contact of nominally flat surfaces, Proceeding of Royal Socity of London. Series A. Mathematical and Physical Science, vol. 295, pp. 300-319, 1966.
[18]Y. Mo, K. T. Turner, and I. Szlufarska, Friction laws at the nanoscale, Nature, vol. 457, pp. 1116-1119, 2009.
[19]J. Gao, W. D. Luedtke, D. Gourdon, M. Ruths, J. N. Israelachvili and U. Landman, Frictional forces and Amontons' law: from the molecular to the macroscopic scale, J. Phys. Chem. B. 108, pp. 3410–3425, 2004.
[20]P. Spijker, G. Anciaux and J. F. Molinari, Relations between roughness, temperature and dry sliding friction at the atomic scale, Tribology international, 59, pp. 222-229, 2013.
[21]S. Zhang, T. B. Ma, A. Erdemir and Q. Y. Li, Tribology of two-dimensional materials: from mechanisms to modulating strategies, Materials Today, vol. 26, 2019.
[22]L. C. Zhang, K. L. Johnson and W. C. D. Cheong, A molecular dynamics study of scale effects on the friction of single-asperity contacts, Tribology Letters, vol. 10, No. 1-2, 2001.
[23]J. Song and D. Srolovitz, Atomistic simulation of multicycle asperity contact, Acta Materialia, vol. 55, pp. 4759–4768, 2007.
[24]J. F. Molinari, R. Aghababaei, T. Brink, L. Frérot, and E. Milanese, Adhesive wear mechanisms uncovered by atomistic simulations, Friction 6(3), pp. 245-259, 2018.
[25]E. Milanese, T. Brink, R. Aghababaei, and J. F. Molinari, Emergence of self-affine surfaces during adhesive wear, Nature Communications, vol. 10, No. 1116, 2019.
[26]A. I. Vakis, et al. Modeling and simulation in tribology across scales: An overview, Tribology International, Vol. 125, pp. 169–199, 2018.
[27]P. B. Zantye, A. Kumar and A. K. Sikder, Chemical mechanical planarization for microelectronics applications, Materials Science and Engineering R, vol. 45, pp. 89-220, 2004.
[28]P. L. Chen, J. H. Chen, M. S. Tsai, B. T. Dai and C. F. Yeh, Post-Cu CMP cleaning for colloidal silica abrasive removal, Microelectronic Engineering, vol. 75, pp. 352-360, 2004.
[29]X. Guo, X. Wang, Z. Jin and R. Kang, Atomistic mechanisms of Cu CMP in aqueous H2O2: Molecular dynamics simulations using ReaxFF reactive force field, Computational Materials Science, vol. 155, pp. 476-482, 2018.
[30]V. Nguyen, H. VanKranenburg and P. Woerlee, Dependency of dishing on polish time and slurry chemistry in Cu CMP, Microelectronic Engineering, vol. 50, pp. 403-410, 2000.
[31]A. Zhu, D. He, S. He and W. Luo, Material removal mechanism of copper chemical mechanical polishing with different particle sizes based on quasi-continuum method, Friction 5(1), pp. 99-107, 2017.
[32]L. Si, D. Guo, J. Luo, X. Lu, and G. Xie, Abrasive rolling effects on material removal and surface finish in chemical mechanical polishing analyzed by molecular dynamics simulation, Journal of Applied Physics, vol. 109, 2011.
[33]V. T. Nguyen and T. H. Fang, Molecular dynamics simulation of abrasive characteristics and interfaces in chemical mechanical polishing, Applied Surface Science, vol. 509, 2020.
[34] 台灣應材, 應用材料公司技術突破,加速用於大數據與 AI 時代的晶片效能, 2018, [Online], Available: http://www.appliedmaterials.com/zh-hant/company/news/
press-releases/2018/06/%E6%87%89%E7%94%A8%E6%9D%90%E6%96%99%E5
%85%AC%E5%8F%B8%E6%8A%80%E8%A1%93%E7%AA%81%E7%A0%B4%EF%BC%8C%E5%8A%A0%E9%80%9F%E7%94%A8%E6%96%BC%E5%A4%A7%E6%95%B8%E6%93%9A%E8%88%87-ai-%E6%99%82%E4%BB%A3%E7%9
A%84%E6%99%B6%E7%89%87%E6%95%88%E8%83%BD. [Accessed June 1, 2020]
[35]R. W. Hockney and J. W. Eastwood, Computer Simulations Using Particles, CRC Press, 1981.
[36]B. FrantzDale, S. J. Plimpton and M. S. Shephard, Software components for parallel multiscale simulation: an example with LAMMPS, Engineering with Computers, vol. 26, pp. 205-211, 2010.
[37]K. Li, X. Lin and J. Greenberg, Software citation, reuse and metadata considerations: An exploratory study examing LAMMPS, Computer Science, 2016.
[38]F. Pavia and W. A. Curtin, Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS, Modelling and Simulation in Materials Science and Engineering, vol. 23, No. 5, 2015.
[39]C. Luo and J. Sommer, Coding coarse grained polymer model for LAMMPS and its application to polymercrystallization, Computer Physics Communications, vol. 180, pp. 1382-1391, 2009.
[40]F. E. Mackay, S. T. T. Ollila and C. Denniston, Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid, Computer Physics Communications, vol. 184, pp. 2021-2031, 2013.
[41]C. Grindon, S. Harris, T. Evans, K. Novik, P. Coveney and C. Laughton, Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS, Royal Society, vol. 362, 2004.
[42]J. Tersoff, New empirical model for the structural properties of silicon, Physical Review Letters, vol. 56, pp. 632-635, 1986.
[43]M. S. Daw and M. I. Baskes, Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals, Physical Review B, vol. 29, pp. 6443-6453, 1984.
[44]L. A. Girifalco and V. G. Weizer, Application of the Morse Potential; Function to Cubic Metals, Physical Review, vol. 114, No. 3, 1959.
[45]D. Mulliah, S. D. Kenny, and Roger Smith, Modeling of stick-slip phenomena using molecular dynamics, Physical Review B, vol. 69, 2004.
[46]M. H. Cho, S. J. Kim, D. S. Lim and H. Jang, Atomic scale stick-slip caused by dislocation nucleation and propagation during scratching of a Cu substrate with a nanoindenter: a molecular dynamics simulation, Wear, vol. 259, pp. 1392-1399, 2005.
[47] J. Zhang, T. Sun, Y. Yan and Y. Liang, Molecular dynamics study of scratching velocity dependency in AFM-based nanometric scratching process, Materials Science and Engineering: A, vol. 505, pp. 65-69, 2009.
QRCODE
 
 
 
 
 
                                                                                                                                                                                                                                                                                                                                                                                                               
第一頁 上一頁 下一頁 最後一頁 top
系統版面圖檔 系統版面圖檔