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Molecular dynamics modeling of a single diamond abrasive grain in grinding

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Abstract

In this paper the nano-metric simulation of grinding of copper with diamond abrasive grains, using the molecular dynamics (MD) method, is considered. An MD model of nano-scale grinding, where a single diamond abrasive grain performs cutting of a copper workpiece, is presented. The Morse potential function is used to simulate the interactions between the atoms involved in the procedure. In the proposed model, the abrasive grain follows a curved path with decreasing depth of cut within the workpiece to simulate the actual material removal process. Three different initial depths of cut, namely 4 Å, 8 Å and 12 Å, are tested, and the influence of the depth of cut on chip formation, cutting forces and workpiece temperatures are thoroughly investigated. The simulation results indicate that with the increase of the initial depth of cut, average cutting forces also increase and therefore the temperatures on the machined surface and within the workpiece increase as well. Furthermore, the effects of the different values of the simulation variables on the chip formation mechanism are studied and discussed. With the appropriate modifications, the proposed model can be used for the simulation of various nano-machining processes and operations, in which continuum mechanics cannot be applied or experimental techniques are subjected to limitations.

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References

  1. Markopoulos A P. Finite Element Method in Machining Processes. London: Springer, 2013

    Book  Google Scholar 

  2. Markopoulos A P, Manolakos D E. Finite element analysis of micromachining. Journal of Manufacturing Technology Research, 2010, 2(1–2): 17–30

    Google Scholar 

  3. Brinksmeier E, Aurich J C, Govekar E, et al. Advances in modeling and simulation of grinding processes. CIRP Annals-Manufacturing Technology, 2006, 55(2): 667–696

    Article  Google Scholar 

  4. Jobic H, Theodorou D N. Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites. Microporous and Mesoporous Materials, 2007, 102(1–3): 21–50

    Article  Google Scholar 

  5. Komanduri R, Raff L M. A review on the molecular dynamics simulation of machining at the atomic scale. Proceedings of the Institution of Mechanical Engineers, Part B: Journal of Engineering Manufacture, 2001, 215(12): 1639–1672

    Article  Google Scholar 

  6. Kim C J, Mayor R, Ni J. Molecular dynamics simulations of plastic material deformation in machining with a round cutting edge. International Journal of Precision Engineering and Manufacturing, 2012, 13(8): 1303–1309

    Article  Google Scholar 

  7. Markopoulos A P, Kalteremidou K A L. Molecular dynamics modelling of nanometric cutting. Key Engineering Materials, 2013, 581: 298–303

    Article  Google Scholar 

  8. Landman U, Luedtke W D, Nitzan A. Dynamics of tip-substrate interactions in atomic force microscopy. Surface Science, 1989, 210 (3): L177–L184

    Article  Google Scholar 

  9. Hoover W G, De Groot A J, Hoover C G, et al. Large-scale elasticplastic indentation simulations via nonequilibrium molecular dynamics. Physical Review A, 1990, 42(10): 5844–5853

    Article  Google Scholar 

  10. Ikawa N, Shimada S, Tanaka H, et al. An atomistic analysis of nanometric chip removal as affected by tool-work interaction in diamond turning. CIRP Annals-Manufacturing Technology, 1991, 40(1): 551–554

    Article  Google Scholar 

  11. Belak J, Stowers I F. The indentation and scraping of a metal surface: A molecular dynamics study. In: Singer I L, Pollock H, eds. Fundamentals of Friction: Macroscopic and Microscopic Processes. Springer, 1992, 511–520

    Chapter  Google Scholar 

  12. Rentsch R, lnasaki I. Molecular dynamics simulation for abrasive processes. CIRP Annals-Manufacturing Technology, 1994, 43(1): 327–330

    Article  Google Scholar 

  13. Komanduri R, Chandrasekaran N, Raff L M. Some aspects of machining with negative-rake tools simulating grinding: A molecular dynamics simulation approach. Philosophical Magazine Part B, 1999, 79(7): 955–968

    Article  Google Scholar 

  14. Lin B, Yu S, Wang S. An experimental study on molecular dynamics simulation in nanometer grinding. Journal of Materials Processing Technology, 2003, 138(1–3): 484–488

    Article  Google Scholar 

  15. Noreyan A, Amar J G. Molecular dynamics simulations of nanoscratching of 3C SiC. Wear, 2008, 265(7–8): 956–962

    Article  Google Scholar 

  16. Junge T, Molinari J F. Molecular dynamics nano-scratching of aluminium: A novel quantitative energy-based analysis method. Procedia IUTAM, 2012, 3: 192–204

    Article  Google Scholar 

  17. Eder S J, Bianchi D, Cihak-Bayr U, et al. An analysis method for atomistic abrasion simulations featuring rough surfaces and multiple abrasive particles. Computer Physics Communications, 2014, 185 (10): 2456–2466

    Article  Google Scholar 

  18. Rapaport D C. The Art of Molecular Dynamics Simulation. 2nd ed. Cambridge: Cambridge University Press, 2004

    Book  Google Scholar 

  19. Oluwajobi A O, Chen X. The fundamentals of modelling abrasive machining using molecular dynamics. International Journal of Abrasive Technology, 2010, 3(4): 354–381

    Article  Google Scholar 

  20. Oluwajobi A O, Chen X. The effect of the variation of velocity on the molecular dynamics simulation of nanomachining. In: Proceedings of the 18th International Conference on Automation and Computing. Leicestershire: IEEE, 2012, 249–254

    Google Scholar 

  21. Zhang L, Tanaka H. Towards a deeper understanding of wear and friction on the atomic scale—A molecular dynamics analysis. Wear, 1997, 211(1): 44–53

    Article  Google Scholar 

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Correspondence to Angelos P. Markopoulos.

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Markopoulos, A.P., Savvopoulos, I.K., Karkalos, N.E. et al. Molecular dynamics modeling of a single diamond abrasive grain in grinding. Front. Mech. Eng. 10, 168–175 (2015). https://doi.org/10.1007/s11465-015-0337-y

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  • DOI: https://doi.org/10.1007/s11465-015-0337-y

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