Nano-machining of materials: understanding the process through molecular dynamics simulation
Received date: 2016-07-07
Revised date: 2016-09-06
Online published: 2017-03-25
Molecular dynamics (MD) simulation has been widely applied in various complex, dynamic processes at atomistic scale, because anMDsimulation can provide some deformation details of materials in nano-processing and thus help to investigate the critical and important issues which cannot be fully revealed by experiments. Extensive research with the aid of MD simulation has provided insights for the development of nanotechnology. This paper reviews the fundamentals of nano-machining from the aspect of material structural effects, such as single crystalline, polycrystalline and amorphous materials. The classic MD simulations of nano-indentation and nano-cutting which have aimed to investigate the machining mechanism are discussed with respect to the effects of tool geometry, material properties and machining parameters. On nano-milling, the discussion focuses on the understanding of the grooving quality in relation to milling conditions.
Key words： Molecular dynamics; Nano-milling; Nanoindentation; Nano-cutting; Groove quality; Multigrooving
Dan-Dan Cui , Liang-Chi Zhang . Nano-machining of materials: understanding the process through molecular dynamics simulation[J]. Advances in Manufacturing, 2017 , 5(1) : 20 -34 . DOI: 10.1007/s40436-016-0155-4
1. Chae J, Park S, Freiheit T (2006) Investigation of micro-cutting operations. Int J Mach Tools Manuf 46:313-332
2. Malekian M, Park SS, Jun MB (2009) Tool wear monitoring of micro-milling operations. J Mater Process Technol 209:4903-4914
3. Zhang LC, Tanaka H (1999) On the mechanics and physics in the nano-indentation of silicon monocrystals. JSME Int J Ser A Solid Mech Mater Eng 42:546-559
4. Cheong WCD, Zhang LC (2000) Molecular dynamics simulation of phase transformations in silicon monocrystals due to nanoindentation. Nanotechnology 11:173
5. Tang C, Zhang LC (2004) A molecular dynamics analysis of the mechanical effect of water on the deformation of silicon monocrystals subjected to nano-indentation. Nanotechnology 16:15
6. Kim D, Oh S (2006) Atomistic simulation of structural phase transformations in monocrystalline silicon induced by nanoindentation. Nanotechnology 17:2259
7. Minor AM, Asif SS, Shan Z et al (2006) A new view of the onset of plasticity during the nanoindentation of aluminium. Nat Mater 5:697-702
8. Kim KJ, Yoon JH, Cho MH et al (2006) Molecular dynamics simulation of dislocation behavior during nanoindentation on a bicrystal with a R=5 (210) grain boundary. Mater Lett 60:3367-3372
9. Li J, Guo J, Luo H et al (2016) Study of nanoindentation mechanical response of nanocrystalline structures using molecular dynamics simulations. Appl Surf Sci 364:190-200
10. Szlufarska I, Kalia RK, Nakano A et al (2007) A molecular dynamics study of nanoindentation of amorphous silicon carbide. J Appl Phys 102:23509
11. Qiu C, Zhu P, Fang F et al (2014) Study of nanoindentation behavior of amorphous alloy using molecular dynamics. Appl Surf Sci 305:101-110
12. Bei H, George EP, Hay J et al (2005) Influence of indenter tip geometry on elastic deformation during nanoindentation. Phys Rev Lett 95:045501
13. Shih C, Yang M, Li J (1991) Effect of tip radius on nanoindentation. J Mater Res 6:2623-2628
14. Cheong WCD, Zhang LC, Tanaka H (2001) Some essentials of simulating nano-surfacing processes using the molecular dynamics method. In:Key Engineering Materials, Trans Tech Publ, 2001, pp. 31-42
15. Zhang LC, Cheong WCD (2003) Molecular dynamics simulation of phase transformations in monocrystalline silicon. High Press Surf Sci Eng 57:285
16. Cheong WCD, Zhang LC (2003) Monocrystalline silicon subjected to multi-asperity sliding:nano-wear mechanisms, subsurface damage and effect of asperity interaction. Int J Mater Prod Technol 18:398-407
17. Zhang LC, Johnson K, Cheong WCD (2001) A molecular dynamics study of scale effects on the friction of single-asperity contacts. Tribol Lett 10:23-28
18. Davis JR (1990) Properties and selection:nonferrous alloys and special-purpose materials. ASM Intl 2:1770
19. Pei Q, Lu C, Fang F, Wu H (2006) Nanometric cutting of copper:a molecular dynamics study. Comput Mater Sci 37:434-441
20. Komanduri R, Chandrasekaran N, Raff L (1999) Some aspects of machining with negative-rake tools simulating grinding:a molecular dynamics simulation approach. Philos Mag B 79:955-968
21. Han X (2006) Investigation micro-mechanism of dry polishing using molecular dynamics simulation method. In:1st IEEE international conference on nano/micro engineered and molecular systems 2006. NEMS'06, pp. 936-941
22. Komanduri R, Chandrasekaran N, Raff L (1998) Effect of tool geometry in nanometric cutting:a molecular dynamics simulation approach. Wear 219:84-97
23. Han X, Lin B, Yu S et al (2002) Investigation of tool geometry in nanometric cutting by molecular dynamics simulation. J Mater Process Technol 129:105-108
24. Komanduri R, Ch and Rasekaran N, Raff L (2001) Molecular dynamics simulation of the nanometric cutting of silicon. Philos Mag B 81:1989-2019
25. Zhao HW, Zhang L, Zhang P et al (2012) Influence of geometry in nanometric cutting single-crystal copper via MD simulation. Adv Mater Res 421:123-128
26. Fang F, Wu H, Zhou W et al (2007) A study on mechanism of nano-cutting single crystal silicon. J Mater Process Technol 184:407-410
27. Zhang LC, Tanaka H (1997) Towards a deeper understanding of wear and friction on the atomic scale-a molecular dynamics analysis. Wear 211:44-53
28. Zhang LC, Tanaka H (1998) Atomic scale deformation in silicon monocrystals induced by two-body and three-body contact sliding. Tribol Int 31:425-433
29. Movahhedy M, Altintas Y, Gadala M (2002) Numerical analysis of metal cutting with chamfered and blunt tools. J Manuf Sci Eng 124:178-188
30. Komanduri R, Chandrasekaran N, Raff L (2000) MD Simulation of nanometric cutting of single crystal aluminum-effect of crystal orientation and direction of cutting. Wear 242:60-88
31. Li J (1961) high-angle tilt boundary-a dislocation core model. J Appl Phys 32:525-541
32. Mylvaganam K, Zhang LC (2010) Effect of nano-scratching direction on the damage in monocrystalline silicon. In:Proceedings of the 6th Australasian congress on applied mechanics, Engineers Australia, p 757
33. Komanduri R, Chandrasekaran N, Raff L (2000) MD simulation of indentation and scratching of single crystal aluminum. Wear 240:113-143
34. Pei Q, Lu C, Lee H (2007) Large scale molecular dynamics study of nanometric machining of copper. Comput Mater Sci 41:177-185
35. Zhu YT, Langdon TG (2005) Influence of grain size on deformation mechanisms:an extension to nanocrystalline materials. Mater Sci Eng A 409:234-242
36. Van Swygenhoven H, Caro A, Farkas D (2001) A molecular dynamics study of polycrystalline FCC metals at the nanoscale:grain boundary structure and its influence on plastic deformation. Mater Sci Eng A 309:440-444
37. Qi Y, Krajewski PE (2007) Molecular dynamics simulations of grain boundary sliding:the effect of stress and boundary misorientation. Acta Mater 55:1555-1563
38. Zhang J, Hartmaier A, Wei Y et al (2013) Mechanisms of anisotropic friction in nanotwinned Cu revealed by atomistic simulations. Model Simul Mater Sci Eng 21:065001
39. Ye Y, Biswas R, Morris J et al (2003) Molecular dynamics simulation of nanoscale machining of copper. Nanotechnology 14:390
40. Fang TH, Weng CI (2000) Three-dimensional molecular dynamics analysis of processing using a pin tool on the atomic scale. Nanotechnology 11:148
41. Zhu PZ, Hu YZ, Ma TB et al (2010) Study of AFM-based nanometric cutting process using molecular dynamics. Appl Surf Sci 256:7160-7165
42. Li J, Liu B, Luo H et al (2016) A molecular dynamics investigation into plastic deformation mechanism of nanocrystalline copper for different nanoscratching rates. Comput Mater Sci 118:66-76
43. Chen J, Liang Y, Chen M et al (2012) Multi-path nanometric cutting of molecular dynamics simulation. J Comput Theor Nanosci 9:1303-1308
44. Oluwajobi A, Chen X (2012) Multi-pass nanometric machining simulation using the molecular dynamics (MD). Key Eng Mater 496:241-246
45. Cui DD, Zhang LC, Mylvaganam K et al (2015) Nano-milling on monocrystalline copper:a molecular dynamics simulation. Mach Sci Technol
46. Cui DD, Mylvaganam K, Zhang LC (2012) Atomic-scale grooving on copper:end-milling versus peripheral-milling. In:Advanced materials research, Trans Tech Publ, pp 546-551
47. Cui DD, Zhang LC, Mylvaganam K (2014) Nano-milling on copper:grooving quality and critical depth of cut. J Comput Theor Nanosci 11:964-970
48. Bao W, Tansel I (2000) Modeling micro-end-milling operations. Part I:analytical cutting force model. Int J Mach Tools Manuf 40:2155-2173
49. Wang Z, Jiao N, Tung S et al (2011) Atomic force microscopybased repeated machining theory for nanochannels on silicon oxide surfaces. Appl Surf Sci 257:3627-3631
50. Zhang LC, Tanaka H (1999) On the mechanics and physics in the nano-indentation of silicon monocrystals. JSME Int J 42:546-559
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