Molecular dynamics modeling of a single diamond abrasive grain in grinding

doi:10.1007/s11465-015-0337-y

Front. Mech. Eng.

2015, Vol. 10

Issue (2) : 168-175 https://doi.org/10.1007/s11465-015-0337-y

RESEARCH ARTICLE

Molecular dynamics modeling of a single diamond abrasive grain in grinding

Angelos P. MARKOPOULOS(

),Ioannis K. SAVVOPOULOS,Nikolaos E. KARKALOS,Dimitrios E. MANOLAKOS

Section of Manufacturing Technology, School of Mechanical Engineering, National Technical University of Athens, Athens 15780, Greece

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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 ?, 8 ? and 12 ?, 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.

Keywords molecular dynamics abrasive process chip formation cutting force temperature

Corresponding Author(s): Angelos P. MARKOPOULOS

Online First Date: 21 May 2015 Issue Date: 14 July 2015

Cite this article:

Angelos P. MARKOPOULOS,Ioannis K. SAVVOPOULOS,Nikolaos E. KARKALOS, et al. Molecular dynamics modeling of a single diamond abrasive grain in grinding[J]. Front. Mech. Eng., 2015, 10(2): 168-175.

URL:

https://academic.hep.com.cn/fme/EN/10.1007/s11465-015-0337-y
https://academic.hep.com.cn/fme/EN/Y2015/V10/I2/168

Fig.1 Arrangement of atoms in an fcc lattice

Fig.2 Morse potential function curve

Fig.3 Configuration of the tool and workpiece in the first modeling approach

1—Tool; 2—Workpiece; 3—Boundary atoms; 4—Thermostat atoms

Fig.4 Configuration of the tool and workpiece in the second modeling approach

1—Tool; 2—Workpiece; 3—Boundary atoms; 4—Thermostat atoms

Fig.5 Snapshots of the simulation process with initial depth of cut 8 ? at (a) 280 ps, (b) 600 ps, and (c) 840 ps

Fig.6 Abrasive grain and workpiece for initial depth of cut 12 ?, at 840 ps

Fig.7 Chip formation when cutting with abrasive grain with-45^o rake angle for initial depth of cut (a) 4 ?, (b) 8 ?, and (c) 12 ?, for the same time step

Fig.8 Average tangential and normal grinding forces for the initial depth of cuts, for both abrasive grain configurations

Fig.9 Average temperature of the Newtonian atoms and the cumulative temperature of the material, with 0^o rake angle and depth of cut (a) 4 ?, (b) 8 ? and (c) 12 ?

Fig.10 Average temperature of the Newtonian atoms and the cumulative temperature of the material, with -45° rake angle and depth of cut (a) 4 ?, (b) 8 ? and (c) 12 ?

1	Markopoulos A P. Finite Element Method in Machining Processes. London: Springer, 2013
2	Markopoulos A P, Manolakos D E. Finite element analysis of micromachining. Journal of Manufacturing Technology Research, 2010, 2(1–2): 17–30
3	Brinksmeier E, Aurich J C, Govekar E, Advances in modeling and simulation of grinding processes. CIRP Annals-Manufacturing Technology, 2006, 55(2): 667–696 https://doi.org/10.1016/j.cirp.2006.10.003
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 https://doi.org/10.1016/j.micromeso.2006.12.034
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 https://doi.org/10.1243/0954405011519484
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 https://doi.org/10.1007/s12541-012-0173-5
7	Markopoulos A P, Kalteremidou K A L. Molecular dynamics modelling of nanometric cutting. Key Engineering Materials, 2013, 581: 298–303 https://doi.org/10.4028/www.scientific.net/KEM.581.298
8	Landman U, Luedtke W D, Nitzan A. Dynamics of tip-substrate interactions in atomic force microscopy. Surface Science, 1989, 210(3): L177–L184 https://doi.org/10.1016/0039-6028(89)90590-6
9	Hoover W G, De Groot A J, Hoover C G, Large-scale elastic-plastic indentation simulations via nonequilibrium molecular dynamics. Physical Review A, 1990, 42(10): 5844–5853 https://doi.org/10.1103/PhysRevA.42.5844 pmid: 9903863
10	Ikawa N, Shimada S, Tanaka H, 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 https://doi.org/10.1016/S0007-8506(07)62051-4
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 https://doi.org/10.1007/978-94-011-2811-7_25
12	Rentsch R, lnasaki I. Molecular dynamics simulation for abrasive processes. CIRP Annals-Manufacturing Technology, 1994, 43(1): 327–330 https://doi.org/10.1016/S0007-8506(07)62224-0
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 https://doi.org/10.1080/13642819908214852
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 https://doi.org/10.1016/S0924-0136(03)00124-9
15	Noreyan A, Amar J G. Molecular dynamics simulations of nanoscratching of 3C SiC. Wear, 2008, 265(7–8): 956–962 https://doi.org/10.1016/j.wear.2008.02.020
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 https://doi.org/10.1016/j.piutam.2012.03.013
17	Eder S J, Bianchi D, Cihak-Bayr U, An analysis method for atomistic abrasion simulations featuring rough surfaces and multiple abrasive particles. Computer Physics Communications, 2014, 185(10): 2456–2466 https://doi.org/10.1016/j.cpc.2014.05.018
18	Rapaport D C. The Art of Molecular Dynamics Simulation. 2nd ed. Cambridge: Cambridge University Press, 2004
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 https://doi.org/10.1504/IJAT.2010.036967
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
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 https://doi.org/10.1016/S0043-1648(97)00073-2

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