研究生: |
黃仁清 Jen-ching Huang |
---|---|
論文名稱: |
結合分子動力學與變形理論於奈米切削之研究 Study on Combination of Molecular Dynamics and Deformation Theory for Nano-scale Cutting |
指導教授: |
林榮慶
Zone-Ching Lin |
口試委員: |
翁政義
Cheng-I Weng 陳朝光 Chao-Kuang Chen 陳文華 Wen-Hwa Chen 王國雄 Kuo-Shong Wang 蔡穎堅 Ying-Chien Tsai 黃佑民 You-Min Huang |
學位類別: |
博士 Doctor |
系所名稱: |
工程學院 - 機械工程系 Department of Mechanical Engineering |
論文出版年: | 2006 |
畢業學年度: | 94 |
語文別: | 中文 |
論文頁數: | 191 |
中文關鍵詞: | 分子動力學 、變形理論 、奈米直線切削 、奈米曲線切削 、銅 、鎳 |
外文關鍵詞: | molecular dynamics, finite deformation theory, nano linear cutting, nano curve cutting, copper, nickel |
相關次數: | 點閱:325 下載:12 |
分享至: |
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本文旨在建立結合分子動力學與變形理論,藉以探討奈米正交切削、圓錐刀具奈米直線切削與圓錐刀具奈米曲線切削等不同切削型態與不同切削深度與切削速度等加工參數對工件所產生之應變與應力及切削力之影響。同時亦進行奈米拉伸之研究,以提供所需之奈米級塑流曲線。
本文提出原子視為節點,晶格視為元素,結合分子動力學與有限元素法中形狀函數,以探討在奈米切削時單晶銅中央截面所產生的等效應力與等效應變的分布趨勢。本文亦提出一個在奈米拉伸時之應力計算方法-剛體邊界層介面力之奈米級應力計算模式,並發現應變速率對塑流曲線之K值與n值影響相當大。本文結合前述發展之奈米級塑流曲線與應變硬化率,推導出可應用於奈米切削之變形理論彈塑性關係矩陣,以探討奈米切削後之已加工面之殘留應力與殘留應變現象,且進一步分析不同切削速度對奈米級切削時工件的應力與應變分佈趨勢與切削力之影響。
本文進一步探討圓錐刀具之奈米直線加工,以探討不同切削參數對奈米級切削時工件的應力與應變分佈趨勢與切削力之影響。且提出奈米尺度切削力轉換因子,藉以估算實際奈米加工時之切削力,並以鑽石探針進行實際奈米直線加工實驗來相互驗證。本文亦探討銅材料之奈米曲線加工,並分析奈米曲線加工後之切屑堆積與已加工表面殘留應力與殘留應變等現象之影響。提出以插值法的觀念,將以多段等長小線段來形成奈米曲線動路,並以模擬退火演算法來得到等長直線動路的插值點。且以鑽石探針進行實際奈米曲線加工實驗,以探討應用插值法於實際的奈米曲線加工之可行性。並將奈米尺度切削力轉換因子,應用於實際奈米曲線加工時之切削力估算。本文結合以極低負荷之奈米壓痕試驗進行單晶鎳之楊氏係數量測值,進一步探討單晶鎳在圓錐刀具奈米切削時所產生的應力與應變。
期望本文的研究成果可做為奈米加工製程參數研究以及建構殘留應變與殘留應力分析模型的重要參考。
By the combination of molecular dynamics and finite deformation theory, the objective of this thesis is to investigate into the effect of different cutting types such as nano orthogonal cutting, conical shaped tool nano straight line cutting and nano curve cutting, and processing parameters such as different cutting depth and cutting speed towards the strain and stress, as well as the cutting force produced towards the workpiece. Also, it carried out a nano tensile research, so as to provide the required nanoscale flow curve. By taking atoms as nodes and lattics as elements, and by combining molecular dynamics and the shape function of the finite element method, this study investigates into the distribution trend of the equivalent strains and equivalent stress produced on the central cross section of the single crystal copper during nano cutting. This thesis also proposes a rigid boundary layer interface force (RIF) model for nanoscale stress calculation, so as to investigate into the strain-stress behavior of the nanoscale single copper crystal during the nano tension by means of molecular dynamics. Upon simulation, the effect of the strain rate towards the K and n values of the flow curve is very significant. By combining the abovementioned nanoscale flow curve developed and the strain hardening rate, this study derives the elastic-plastic relationship equation of nano-scale finite deformation theory that can be applied to nano cutting, so as to investigate into the phenomenon of residual strain, residual stress on the machined surface and the cutting force by the different cutting speed during nano cutting. This thesis also investigates into the effect of different cutting parameters towards the distribution trend of the strain and stress of the workpiece, as well as its cutting force during nano cutting by the conical shaped tool. Also, this thesis proposes a nanoscale action-force transfer factor (NAT factor), so as to predict the cutting force during practical nano cutting. Finally, it uses diamond probe to practice practical nano linear cutting experiment for verification. This thesis further investigates into the nano curve cutting of the single crystal copper, as well as analyzes into the heap of chip the nano curve after cutting, and the effect of the phenomenon such as the residual strain and residual stress of the machined surface. It proposes to use the concept of interpolation method to form nano curve path by many small segments. Also, by using the simulated annealing algorithm, the interpolation point of curve path having equal length can be acquired. With the use of diamond probe, practical nano curve processing experiment is executed, so as to investigate into the feasibility of applying interpolation method on the practical nano curve processing. This thesis then applies the NAT factor on the estimation of the cutting force during practical nano curve cutting. In order to understand the effect of processing parameters such as different material, different E value and lattic size etc. towards the cutting force and residual strain and residual stress, this study combines a nano indentation test having a very low loading to obtain Young's modulus of the single crystal nickel, so as to further investigate into the strain and stress produced by single crystal nickel by the conical shaped tool during nano cutting.
It is expected that the research result of this thesis can supply as an important reference for the researches on the parameters of nano cutting procedure, as well as the construction of the analytical models of residual strain and residual stress.
1. Maekawa, K. and A. Itoh, "A Friction and Tool Wear in Nano-scale Machining - a Molecular Dynamics Approach," Wear, Vol.188, pp.115-122 (1995).
2. Zhang, L.C. and H. Tanaka, "Towards a Deeper Understanding of Wear and Friction on the Atomic Scale - a Molecular Dynamics Analysis," Wear, Vol. 211, pp. 44-53 (1997).
3. Belak, J. and I.F. Stowers, "A Molecular Dynamics Model of the Orthogonal Cutting Process," Proc. Am. Soc. Precision Eng., pp.76-79 (1990).
4. Belak, J., D.B. Boercker and I.F. Stowers, "Simulation of Nanometre-scale Deformation of Metallic and Ceramic Surfaces," Mater. Res. Soc. Bull., Vol.18, pp.55-60 (1993).
5. Ikawa, N., S. Shimada, H. Tanaka and G. Ohmori, "An Atomistic Analysis of Nanometric Chip Removal as Affected by Tool-work Interaction in Diamond Turning," Ann. CIRP, Vol 40, No.1, pp.551-554 (1991).
6. Shimada, S., N. Ikawa, G. Ohmori and H. Tanaka, "Molecular Dynamics Analysis as Compared with Experimental Results of Micromachining," Ann. CIRP, Vol. 41, No. 1, pp.117-123 (1992).
7. Shimada, S., N. Ikawa, H. Tanaka, G. Ohmori, J. Uchikoshi and H. Yoshinaga, "Feasibility Study on Ultimate Accuracy in Microcutting Using Molecular Dynamics Simulation," Ann. CIRP, Vol.42, No.1, pp.91-94 (1993).
8. Shimada, S., N. Ikawa, H. Tanaka and J. Uchikoshi, "Structure of Micromachined Surface Simulated by Molecular Dynamics Analysis," Ann. CIRP, Vol.43, No.1, pp. 51-54 (1994).
9. Shimada, S., "Molecular Dynamics Analysis of Nanometric Cutting Process," Int. J. Jpn. Soc. Precis. Eng., Vol. 29, No.4, pp. 283-289 (1995).
10. Belak, J., D.A. Lucca, R. Komanduri, R.L. Rhorer, T. Moriwaki, K. Okuda, S. Ikawa, S. Shimada, H. Tanaka, T.A. Dow, J.D. Drescher and I.F. Stowers, "Molecular Dynamics Simulation of the Chip Forming Process in Single Crystal Copper and Comparison with Experimental Data," Proc. 6th. Annu. Conf. Am. Soc. Pre. Eng., pp.100-103 (1991).
11. Belak, J., "Nanotribology: Modelling Atoms when Surfaces Collide," Energy and Technology Review, pp.13-24 (1994).
12. Shimizu, J., H. Eda, M.Yoritsune and E. Ohmura, "Molecular Dynamics Simulation of Friction on the Atomic Scale," Nanotechnology, Vol. 9, pp.118-123 (1998).
13. Isono, Y. and T. Tanaka, "Three-dimensional Molecular Dynamics Simulation of Atomic Scale Precision Processing Using a Pin Tool," JSME Int. J. Ser. A: Mech. Mater. Eng., Vol. 40, No.3, pp. 211-218 (1997).
14. Isono, Y. and T. Tanaka, "Molecular Dynamics Simulation of Atomic Scale Indentation and Cutting Process with Atomic Force Microscope", JSME Int. J. Ser. A: Mech. Mater. Eng., Vol. 42, pp. 158-162 (1999).
15. Chandrasekaran, N., A. Noori-Khajavi, L.M. Raff and R. Komanduri, "A New Nethod for Molecular Dynamics Simulation of Nanometric Cutting," Philos. Mag. B, Vol.77, No. 1, pp.7-26 (1998).
16. Komanduri, R., N. Chandrasekaran and L.M. Raff, "Some Aspects of Machining with Negative Rake Tools Simulating Grinding: an MD Simulation Approach," Philos. Mag. B, Vol.79, No. 7, pp.955- 968 (1999).
17. Komanduri, R., N. Chandrasekaran and L.M. Raff, "Effect of Tool Geometry in Nanometric Cutting: an MD Simulation Approach," Wear, Vol. 219, pp. 84-97 (1998).
18. Fang, T.H. and C.I. Weng, "Three Dimensional Molecular Dynamics Analysis of Processing Using a Pin Tool on the Atomic Scale," Nanotechnology, Vol. 11, pp.148-153 (2000).
19. Fang, T.H., C.I. Weng and J.G. Chang, "Molecular Dynamics Simulation of Nano-lithography Process Using Atomic Force Microscopy", Surface Science, Vol. 501, pp.138-147 (2002).
20. Inamura, T., H. Suzuki and N. Takezawa, "Cutting Experiments in a Computer Using Atomic Models of Copper Crystal and a Diamond Tool," Int. J. Jpn. Soc. Precis. Eng., Vol.25, No.4, pp.259-266 (1991).
21. Inamura, T., N. Takezawa and N. Taniguchi, "Atomic-scale Cutting in a Computer Using Crystal Models of Copper and Diamond," Ann. CIRP, Vol.41, No. 1, pp.121-124 (1992).
22. Inamura, T., N. Takezawa and Y. Kumaki, "Mechanics and Energy Dissipation in Nanoscale Cutting," Ann. CIRP, Vol. 42, No. 1, pp. 79-82 (1993).
23. Inamura, T., N. Takezawa, Y. Kumaki and T. Sata, "On a Possible Mechanism of Shear Deformation in Nanoscale Cutting," Ann. CIRP, Vol.43, No.1, pp. 47-50. (1994)
24. Izumi, S., T. Kawakami and S. Sakai, "Study of a Combined FEM-MD Method for Silicon," JSME, Series A, Vol.44, pp.152-159 (2001).
25. Smirnova, J.A., L.V. Zhigilei and B.J. Garrison, "A Combined Molecular Dynamics and Finite Element Method Technique Applied to Laser Induced Press Wave Propagation," Computer Physics Communications, Vol. 118, pp.11-16 (1999).
26. Liu, P., Y. W. Zhang and C. Lu, "A Three-dimensional Concurrent Atomistic/continuum Analysis of an Eptiaxially Strained Island," Journal of Applied Physics, Vol. 94, No. 10, pp. 6350-6353 (2003).
27. Parrinello, M. and A. Rahman, "Strain Fluntulations and Elastic Constants," J. Chem. Phys., Vol. 76, No. 5, pp. 2662-2666 (1982).
28. Lutsko, J. F., "Stress and Elastic Constants in Anisotropic Solids: Molecular Dynamics Techniques," J. Appl. Phys., Vol.64, No. 3, pp. 1152-1154 (1988).
29. Schotz, J., T. Rasmussen, K. W. Jacobsen and O. H. Nielsen, "Mechanical Deformation of Nanocrystalline Materials," Philosophical Magazine Letters, Vol. 74, No. 5, pp. 339-344 (1996).
30. Iwaki, T., "Molecular Dynamics Study on Stress-strain in Very Thin Film (Size and Location of Region for Defining Stress and Strain)," JSME Int. J., Ser. A, Vol.39, No. 3, pp.346-353 (1996).
31. Miyazaki, N. and Y. Shiozaki, "Calculation of Mechanical Properties of Solids Using Molecular Dynamics Method," JSME Int. J. Ser. A, Vol. 39, No. 4, pp. 606-612 (1996).
32. Ju, C. C., D. L. Chen, T. C. Chen and D. W. Fang, "Studies on Mechanical Behavior of Porous Nano-Single Crystal by Molecular Dynamics Analysis," 18th CSME Conference, Taiwan, Vol. 5, pp. 159-166 (2001).
33. Chen, D. L., C. C. Ju, T. C. Chen and D. W. Fang, " Effects of Torsion on Mechanical Behavior of Nanostructure by Molecular Dynamics Analysis," 18th CSME Conference, Vol.3, pp.1063-1070, Taiwan (2001).
34. Komanduri, R., N. Chandrasekaran and L.M. Raff, "Molecular Dynamics (MD) Simulation of Uniaxial Tension of Some Single-crystal Cubic Metals at Nanolevel," International Journal of Mechanical Sciences, Vol. 43, No. 10, pp.2237-2260 (2001).
35. Chang, W. J. and T.H. Fang, "Influence of Temperature on Tensile and Fatigue Behavior of Nanoscale Copper Using Molecular Dynamics Simulation," Journal of Physics and Chemistry of Solids, Vol. 64, pp.1279-283 (2003).
36. Lin, Z. C., J. C. Huang and Z.D. Chen, "Research on Tensile Model of Nano-scale Copper Material," 27th Conference on Theoretical and Applied Mechanics, Vol. 3, pp. 954-961, Taiwan (2003).
37. Arsenault, R.J. and J.R. Beeler, Computer Simulation in Material Science, Asm. International, USA (1988).
38. Smith, R. and M. Jakas, Atomic and Ion Collision in Solids and At Surface: Theory, Simulation and Application, Cambridge Universty Press, USA (1977).
39. Haile, J. M., Molecular Dynamic Simulation: Elementary Methods, John Wiely& Sons, Inc., USA (1992).
40. Verlet, L., "Computer Experiments on Classical Fluids (II) Equilibrium Correlations Function," Phy. Rev, Vol.165, pp.201-214 (1968).
41. Reif, F., Fundamentals of Statistical and Thermal Physics, McGraw Hill, pp. 48-49 (1985).
42. Tien, C. L. and J.H. Lienhard, Statistical Thermo Dynamics, Mei Ya Pub, pp.211-233 (1971).
43. Girifalco, L.A. and V.G. Weizer,”Applaction of the Morse Potential Function to Cubic Metals,” Phys. Rev., Vol.31, pp.459-466 (1959).
44. Komanduri, R. and N. Chandrasekaran, "Molecular dynamics simulation of atomic-scale friction," Phy. Rev. B, Vol.61, pp14007-14018 (2000).
45. Huebner, K. H. and E. A. Thornton, The Finite Element Method for Engineers, John Wiley and Sons, New York, pp.284-295 (1995).
46. Yamada, Y., Visco-elasticity Plasticity, Baifukan, Tokyo, Japan (1980).
47. Rao, S. S., The Finite Element Method in Engineering, New York, Pergamon Press Inc. pp.352-354 (1989).
48. Rau, J. S., "A Study on Mechanical Problems of Nanoscopic Micro-structures by Molecular Dynamics Theory", Ms. Thesis, Department of Mechanical Engineering, National Cheng Kung University, Taiwan (1999).
49. Ye, Y. Y., R. Biswas, J. R. Morris, A. Bastawros and A. Chandra, "A Molecular Dynamics Simulation of Nanoscale Machining of Copper, " Nanotechnology, Vol.14, pp.390-396 (2003).
50. Lin, Z. C. and W. C. Pan, "A Thermo-Elastic-Plastic Large Deformation Model for Orthogonal Cutting with Tool Flank Wear Part I: Computational Procedures, "nternational Journal of Mechanical Sciences, Vol. 35, No.10, pp. 829-840 (1993).
51. William D. Callister, Jr., Fundamentals of Materials Science and Engineering, John Wiely & Sons, Inc. USA (2001).
52. Benito, D., Ali S. Argon and S.Yip, "Molecular Dynamics Simulation of Crack Tip Process in Alapa-iron and Copper," J. Appl. Phys., Vol.54, No.9, pp. 4864-4878 (1983).
53. Shaw, M. C., Metal Cutting Principles, Oxford University Press, New York (1984).
54. Backer, W.R., E.R. Marshall and M.C. Shaw, "The Size Effect in Metal Cutting," Trans. ASME 74, pp.61-72 (1952).
55. TriboScope User Manual, Hysitron Inc (2002).
56. Dimension 3100 Manual, Veeco Metrotogy Group Digital Instruments (2002).
57. Metropolis, N., A. Rosenbluth, M. Rosenbluth, A. Teller and E. Teller, "Equation of State Calculations by Fast Computing Machines," J. Chem. Phys. Vol.21, No. 6, pp.1087-1092 (1953).
58. Kirkpatrick, S., C. D. Gelatt and M. P. Vecchi, "Optimization by Simulated Annealing," Science, Vol. 220, No.4598, pp. 671-680 (1983).
59. Handbook of Industrial Material, 2nd ed., Oxford, UK, Elsevier Advanced Technology (1992).