Skip to main content
SpringerLink
Log in

Molecular Dynamics Simulation of Ductile Mode Cutting

  • Chapter
  • First Online:
Ductile Mode Cutting of Brittle Materials

Part of the book series: Springer Series in Advanced Manufacturing ((SSAM))

  • 720 Accesses

Abstract

In this chapter, fundamental aspects of molecular dynamics simulation and several considerations are accounted for to attain accurate results that are comparable with experimental works. The multitude of potential functions is discussed with emphasis on those frequently used in modelling of brittle material. Several example theoretical models for nanometric machining of silicon and silicon carbide are presented, in view of these materials being regularly used across widespread application of industries. Different interatomic potentials used for these materials, along with the possible output data, are reviewed. Finally, the stress distribution is discussed by considering the interactive atomic forces and an empirical relationship of the tool-workpiece contact geometry.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Komanduri R, Raff LM (2001) A review on the molecular dynamics simulation of machining at the atomic scale. Proc IMechE B-J Eng Manu 215:1639–1672

    Google Scholar 

  2. Belak J, Boercker DB, Stowers IF (1993) Simulation of nanometer-scale deformation of metallic and ceramic surfaces. MRS Bull 18:55–60

    Google Scholar 

  3. Belak JF, Stowers IF (1990) A molecular dynamics model of the orthogonal cutting process. In: Proceedings of American Society of Photoptical Engineers Annual Conference. Rochester, United States

    Google Scholar 

  4. Antwi EK, Liu K, Wang H (2018) A review on ductile mode cutting of brittle materials. Front Mech Eng 13:251–263

    Article  Google Scholar 

  5. Tersoff J (1988) New empirical approach for the structure and energy of covalent systems. Phys Rev B 37:6991–7000

    Google Scholar 

  6. Edward LJJ, Sydney C (1925) On the forces between atoms and ions. Proc R Soc London Ser A, Contain Pap Math Phys Character 109:584–597

    Google Scholar 

  7. Morse PM (1929) Diatomic molecules according to the wave mechanics. II. vibrational levels. Phys Rev 34:57–64

    MATH  Google Scholar 

  8. Tersoff J (1988) Empirical interatomic potential for silicon with improved elastic properties. Phys Rev B 38:9902–9905

    Google Scholar 

  9. Born M, Mayer JE (1932) Zur Gittertheorie der Ionenkristalle. Zeitschrift für Phys 75:1–18

    MATH  Google Scholar 

  10. Foiles SM, Baskes MI, Daw MS (1986) Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Phys Rev B 33:7983–7991

    Google Scholar 

  11. Foiles SM (1985) Application of the embedded-atom method to liquid transition metals. Phys Rev B 32:3409–3415

    Google Scholar 

  12. Xiao G, To S, Zhang G (2015) Molecular dynamics modelling of brittle-ductile cutting mode transition: case study on silicon carbide. Int J Mach Tools Manuf 88:214–222

    Google Scholar 

  13. Wang Y, Shi J, Ji C (2014) A numerical study of residual stress induced in machined silicon surfaces by molecular dynamics simulation. Appl Phys A Mater Sci Process 115:1263–1279

    Google Scholar 

  14. Tersoff J (1989) Modeling solid-state chemistry: interatomic potentials for multicomponent systems. Phys Rev B 39:5566–5568

    Google Scholar 

  15. Tersoff J (1990) Erratum: Modeling solid-state chemistry: interatomic potentials for multicomponent systems. Phys Rev B 41:3248

    Google Scholar 

  16. Vashishta P, Kalia RK, Nakano A, Rino JP (2007) Interaction potential for silicon carbide: a molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide. J Appl Phys 101:103515

    Google Scholar 

  17. Shimojo F, Ebbsjö I, Kalia RK, Nakano A, Rino JP, Vashishta P (2000) Molecular dynamics simulation of structural transformation in silicon carbide under pressure. Phys Rev Lett 84:3338–3341

    Google Scholar 

  18. Szlufarska I, Kalia RK, Nakano A, Vashishta P (2004) Nanoindentation-induced amorphization in silicon carbide. Appl Phys Lett 85:378–380

    Google Scholar 

  19. Vashishta P, Kalia RK, Rino JP, Ebbsjö I (1990) Interaction potential for SiO2: a molecular-dynamics study of structural correlations. Phys Rev B 41:12197–12209

    Google Scholar 

  20. Armstrong P, Knieke C, Mackovic M, Frank G, Hartmaier A, Göken M, Peukert W (2009) Microstructural evolution during deformation of tin dioxide nanoparticles in a comminution process. Acta Mater 57:3060–3071

    Google Scholar 

  21. Lodes MA, Hartmaier A, Göken M, Durst K (2011) Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations. Acta Mater 59:4264–4273

    Google Scholar 

  22. Zheng L, Lambropoulos JC, Schmid AW (2004) UV-laser-induced densification of fused silica: a molecular dynamics study. J Non Cryst Solids 347:144–152

    Google Scholar 

  23. Wunderlich W, Awaji H (2001) Molecular dynamics—simulations of the fracture toughness of sapphire. Mater Des 22:53–59

    Google Scholar 

  24. Brass A (1989) Molecular dynamics study of the defect behaviour in fluorite structure crystals close to the superionic transition. Philos Mag A Phys Condens Matter, Struct Defects Mech Prop 59:843–859

    Google Scholar 

  25. Cai MB, Li XP, Rahman M (2007) Study of the temperature and stress in nanoscale ductile mode cutting of silicon using molecular dynamics simulation. J Mater Process Technol 192(193):607–612

    Google Scholar 

  26. Cai MB, Li XP, Rahman M (2005) Molecular dynamics simulation of the effect of tool edge radius on cutting forces and cutting region in nanoscale ductile cutting of silicon. Int J Manu Technol Manag 7:455

    Google Scholar 

  27. Dai H, Chen J, Liu G (2019) A numerical study on subsurface quality and material removal during ultrasonic vibration assisted cutting of monocrystalline silicon by molecular dynamics simulation. Mater Res Express 6

    Google Scholar 

  28. Yan J, Asami T, Harada H, Kuriyagawa T (2009) Fundamental investigation of subsurface damage in single crystalline silicon caused by diamond machining. Precis Eng 33:378–386

    Google Scholar 

  29. Yan J, Asami T, Harada H, Kuriyagawa T (2012) Crystallographic effect on subsurface damage formation in silicon microcutting. CIRP Ann—Manuf Technol 61:131–134

    Google Scholar 

  30. Yan J, Zhao H, Kuriyagawa T (2009) Effects of tool edge radius on ductile machining of silicon: an investigation by FEM. Semicond Sci Technol 24

    Google Scholar 

  31. Zhang P, Zhao H, Zhang L, Shi C, Huang H (2014) A study on material removal caused by phase transformation of monocrystalline silicon during nanocutting process via molecular dynamics simulation. J Comput Theor Nanosci 11:291–296

    Google Scholar 

  32. Dai H, Chen G, Fang Q, Yin J (2016) The effect of tool geometry on subsurface damage and material removal in nanometric cutting single-crystal silicon by a molecular dynamics simulation. Appl Phys A Mater Sci Process 122:1–16

    Google Scholar 

  33. Goel S, Luo X, Reuben RL, Bin Rashid W (2011) Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting. Nanoscale Res Lett 6:589

    Google Scholar 

  34. Wang M, Zhu F, Xu Y, Liu S (2018) Investigation of nanocutting characteristics of off-axis 4H-SiC substrate by molecular dynamics. Appl Sci 8:2380

    Google Scholar 

  35. Cai MB, Li XP, Rahman M (2007) Study of the mechanism of nanoscale ductile mode cutting of silicon using molecular dynamics simulation. Int J Mach Tools Manuf 47:75–80

    Google Scholar 

  36. Zhang L, Zhao H, Ma Z, Huang H, Shi C, Zhang W (2012) A study on phase transformation of monocrystalline silicon due to ultra-precision polishing by molecular dynamics simulation. AIP Adv 2:42116

    Google Scholar 

  37. Zhang L, Zhao H, Yang Y, Huang H, Ma Z, Shao M (2014) Evaluation of repeated single-point diamond turning on the deformation behavior of monocrystalline silicon via molecular dynamic simulations. Appl Phys A 116:141–150

    Google Scholar 

  38. Erhart P, Albe K (2005) Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide. Phys Rev B 71:35211

    Google Scholar 

  39. Brenner DW (1989) Relationship between the embedded-atom method and Tersoff potentials. Phys Rev Lett 63:1022

    Google Scholar 

  40. Albe K, Nordlund K, Nord J, Kuronen A (2002) Modeling of compound semiconductors: analytical bond-order potential for Ga, As, and GaAs. Phys Rev B 66:35205

    Google Scholar 

  41. Goel S, Luo X, Reuben RL (2012) Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide. Comput Mater Sci 51:402–408

    Google Scholar 

  42. Shimada S, Tanaka H, Higuchi M, Yamaguchi T, Honda S, Obata K (2004) Thermo-chemical wear mechanism of diamond tool in machining of ferrous metals. CIRP Ann—Manuf Technol 53:57–60

    Google Scholar 

  43. He T, Liu K, Li XP, Rahman M (2004) A method of atomic dynamic modeling for nanometric ductile cutting of silicon wafer material. In: International conference on precision engineering, Singapore, pp 409–417

    Google Scholar 

  44. Luo X, Cheng K, Guo X, Holt R (2003) An investigation on the mechanics of nanometric cutting and the development of its test-bed. Int J Prod Res 41:1449–1465

    Google Scholar 

  45. Lawn B (2003) Fracture of brittle solids. Cambridge, New York

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Singapore Institute of Manufacturing Technology, Singapore, Singapore

    Kui Liu

  2. Department of Mechanical Engineering, National University of Singapore, Singapore, Singapore

    Hao Wang

  3. School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai, China

    Xinquan Zhang

Authors
  1. Kui Liu
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Hao Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Xinquan Zhang
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Kui Liu .

Rights and permissions

Reprints and permissions

Copyright information

© 2020 Springer Nature Singapore Pte Ltd.

About this chapter

Check for updates. Verify currency and authenticity via CrossMark

Cite this chapter

Liu, K., Wang, H., Zhang, X. (2020). Molecular Dynamics Simulation of Ductile Mode Cutting. In: Ductile Mode Cutting of Brittle Materials. Springer Series in Advanced Manufacturing. Springer, Singapore. https://doi.org/10.1007/978-981-32-9836-1_5

Download citation

  • DOI: https://doi.org/10.1007/978-981-32-9836-1_5

  • Published:

  • Publisher Name: Springer, Singapore

  • Print ISBN: 978-981-32-9835-4

  • Online ISBN: 978-981-32-9836-1

  • eBook Packages: EngineeringEngineering (R0)

Publish with us

Policies and ethics

Search

Navigation