In the current study, molecular dynamics modeling and simulation are carried out to analyse mechanisms in tool-workpiece interaction in nanoscale cutting. Various combinations of a/r ratios for constant r (r = tool edge radius and a = uncut chip thickness) are considered and different crystal orientations of the workpiece specimen are employed in the nanoscale cutting model. From the simulation, material anisotropy behavior is observed during the nanoscale cutting of copper material. Analysis at the molecular scale reveals that the crystal orientations family {1 1 0}<1 0 0> is hard to machine and the family of crystal planes {1 1 1}<1 1 0> is easiest to cut. While comparing in different crystal planes and directions, it was noticed that the material deformation in nanoscale machining takes place only in slip directions, that is, <1 1 0> family of directions. It is also found that as the uncut chip thickness is decreased, the cutting mechanism changes from shear plane cutting to plowing to sliding in Cu.
BalasubramaniamVK, and SuriR.Diamond turn machining. In: Introd. to micromach. Narosa Publishing House. New Delhi, Delhi; 2010: p. 3.1–3.28
2.
GhoshG, SidparaA, and BandyopadhyayPP.Review of several precision finishing processes for optics manufacturing. J Micro Nano-Manuf2018; 1: 170–188.
3.
MahajanKA, and PawadeR.Effect of machining parameters and vibration on polymethylmethacrylate curved surface in single-point diamond turning. J Micro Nano-Manuf2021; 4: 74–83.
4.
SinghIA, ReddyTN, and VinodP.Freeform machining of ophthalmic toric lens mould using fast tool servo-assisted ultra-precision diamond turning process. J Micro Nano-Manuf2021; 4: 84–92.
5.
MishraV, SharmaR, *MahajanK, . Experimental investigations on ultra-precision machining of polycarbonate and related issues. J Micro Nano-Manuf2021; 4: 61–73.
FanY, WangW, and HaoZ.Diffusion mechanism in cutting Ni-based alloy containing γ′ phase (Ni3Al) with CBN tool based on MD simulation. Proc Inst Mech Eng Part B: J Eng Manuf2021; 235: 1763–1778.
8.
LinYC, and WuCY.Amorphous silica glass nano-grooving behavior investigated using molecular dynamics method. Proc Inst Mech Eng Part B: J Eng Manuf2022; 236: 1443–1452.
9.
SharmaA, DattaD, and BalasubramaniamR.Prediction of tool wear constants for diamond turn machining of CuBe. J Micro Nano-Manuf2021; 4: 18–26.
10.
KomanduriR, and RaffLM.A review on the molecular dynamics simulation of machining at the atomic scale. Proc Inst Mech Eng Part B: J Eng Manuf2001; 215: 1639–1672. https://doi.org/10.1177/095440540121501201.
11.
LinZC, and HuangJC.A nano-orthogonal cutting model based on a modified molecular dynamics technique. Nanotechnology2004; 15: 510–519. https://doi.org/10.1088/0957-4484/15/5/019.
12.
YeYY, BiswasR, *MorrisJR, . Molecular dynamics simulation of nanoscale machining of copper. Nanotechnology2003; 14: 390–396. https://doi.org/10.1088/0957-4484/14/3/307.
13.
ShiariB, MillerRE, and KlugDD.Multiscale simulation of material removal processes at the nanoscale. J Mech Phys Solids2007; 55: 2384–2405. https://doi.org/10.1016/j.jmps.2007.03.018.
14.
GoelS, LuoX, and ReubenRL.Wear mechanism of diamond tools against single crystal silicon in single point diamond turning process. Tribol Int2013; 57: 272–281. https://doi.org/10.1016/j.triboint.2012.06.027.
15.
HosseiniSV, and VahdatiM.Modeling the effect of tool edge radius on contact zone in nanomachining. Comput Mater Sci2012; 65: 29–36. https://doi.org/10.1016/j.commatsci.2012.06.037.
16.
SunK, FangL, *YanZ, . Atomistic scale tribological behaviors in nano-grained and single crystal copper systems. Wear2013; 303: 191–201. https://doi.org/10.1016/j.wear.2013.03.011.
17.
SharmaA, JoshiSS, *DattaD, . Investigation of tool and workpiece interaction on surface quality while diamond turning of copper beryllium alloy. J Manuf Sci Eng2020; 142: 021011. https://doi.org/10.1115/1.4045721.
18.
SharmaA, DattaD, and BalasubramaniamR.An investigation of tool and hard particle interaction in nanoscale cutting of copper beryllium. Comput Mater Sci2018; 145: 208–223. https://doi.org/https://doi.org/10.1016/j.commatsci.2018.01.011.
19.
GoelS, LuoX, *ReubenRL, . Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting. Nanoscale Res Lett2011; 6: 1–9. https://doi.org/10.1186/1556-276x-6-589.
20.
GoelS, LuoX, *ReubenRL, . Influence of temperature and crystal orientation on tool wear during single point diamond turning of silicon. Wear2012; 284–285: 65–72. https://doi.org/10.1016/j.wear.2012.02.010.
21.
SharmaA, DattaD, and BalasubramaniamR.Molecular dynamics simulation to investigate the orientation effects on nanoscale cutting of single crystal copper. Comput Mater Sci2018; 153: 241–250. https://doi.org/10.1016/J.COMMATSCI.2018.07.002.
22.
ShimadaS, IkawaN, *TanakaH, . Feasibility study on ultimate accuracy in microcutting using molecular dynamics simulation. CIRP Ann—Manuf Technol1993; 42: 91–94. https://doi.org/10.1016/S0007-8506(07)62399-3.
23.
KomanduriR, ChN, *rasekaran, . Molecular dynamics simulation of the nanometric cutting of silicon. Philos Mag B2001; 81: 1989–2019. https://doi.org/10.1080/13642810108208555.
24.
KomanduriR, ChandrasekaranN, and RaffLM.M.D. simulation of nanometric cutting of single crystal aluminum-effect of crystal orientation and direction of cutting. Wear2000; 242: 60–88. https://doi.org/10.1016/S0043-1648(00)00389-6.
25.
KomanduriR, ChandrasekaranN, and RaffLM.Molecular dynamics simulation of atomic-scale friction. Phys Rev B2000; 61: 14007.
26.
KomanduriR, ChandrasekaranN, and RaffLM.MD simulation of indentation and scratching of single crystal aluminum. Wear2000; 240: 113–143. https://doi.org/10.1016/S0043-1648(00)00358-6.
27.
PeiQX, LuC, *FangFZ, . Nanometric cutting of copper: A molecular dynamics study. Comput Mater Sci2006; 37: 434–441. https://doi.org/10.1016/j.commatsci.2005.10.006.
28.
ArefinS, LiXP, *CaiMB, . The effect of the cutting edge radius on a machined surface in the nanoscale ductile mode cutting of silicon wafer. Proc Inst Mech Eng Part B: J Eng Manuf2007; 221: 213–220.
29.
ZhouT, WuQ, *CheJ, . Research on the effect of cutting parameters on the machinability of polycrystalline Fe-Cr-W alloy by molecular dynamics simulation. Proc Inst Mech Eng Part B: J Eng Manuf2022; 237: 09544054221138903.
30.
WangQ, BaiQ, *ChenJ, . Subsurface defects structural evolution in nano-cutting of single crystal copper. Appl Surf Sci2015; 344: 38–46.
31.
GoelS, LuoX, and ReubenRL.Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide. Comput Mater Sci2012; 51: 402–408. https://doi.org/10.1016/j.commatsci.2011.07.052.
32.
GoelS, KovalchenkoA, *StukowskiA, . Influence of microstructure on the cutting behaviour of silicon. Acta Mater2016; 105: 464–478.
33.
RanjanP, SharmaA, and BalasubramaniamR.Improvement in surface quality of diamond-turned aluminium substrate by using hydrogen peroxide: A molecular dynamics simulation study. J Micro Nano-Manuf2021; 4: 27–35.
34.
FoilesSM, BaskesMI, and DawMS.Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Phys Rev B1986; 33: 7983.
35.
SharmaA, DattaD, and BalasubramaniamR.An investigation of tool and hard particle interaction in nanoscale cutting of copper beryllium. Comput Mater Sci2018; 145: 208–223. https://doi.org/10.1016/j.commatsci.2018.01.011.
36.
https://www.lammps.org/download.html(accessed on January 21, 2023).
StukowskiA.Visualization and analysis of atomistic simulation data with OVITO—The Open Visualization Tool. Model Simul Mater Sci Eng2009; 18: 15012.
39.
SharmaA, DattaD, and BalasubramaniamR.Molecular dynamics simulation to investigate the orientation effects on nanoscale cutting of single crystal copper. Comput Mater Sci2018; 153: 241–250. https://doi.org/10.1016/j.commatsci.2018.07.002.
40.
KomanduriR, ChandrasekaranN, and RaffLM.Effect of tool geometry in nanometric cutting: A molecular dynamics simulation approach. Wear1998; 219: 84–97. https://doi.org/10.1016/S0043-1648(98)00229-4.
41.
FurukawaY, and MoronukiN.Effect of material properties on ultra precise cutting processes. CIRP Ann—Manuf Technol1988; 37: 113–116. https://doi.org/10.1016/S0007-8506(07)61598-4.
42.
BergeonN, GueninG, and EsnoufC.Study of the Faults Stackings in the γ (fcc)-ε (hcp) martensitic transformation. J Phys IV1997; 7: C5–125.
43.
ZhangL, and TanakaH.Towards a deeper understanding of wear and friction on the atomic scale—A molecular dynamics analysis. Wear1997; 211: 44–53. https://doi.org/10.1016/S0043-1648(97)00073-2.
44.
Vahid HosseiniS, VahdatiM, and ShokuhfarA.Effect of tool nose radius on nano-machining process by molecular dynamics simulation. Defect Diffus Forum2011; 312–315: 977–982. https://doi.org/10.4028/www.scientific.net/DDF.312-315.977.
45.
PeiQX, LuC, and LeeHP.Large scale molecular dynamics study of nanometric machining of copper. Comput Mater Sci2007; 41: 177–185. https://doi.org/10.1016/j.commatsci.2007.04.008.
46.
CaiMB, LiXP, *RahmanM, . Crack initiation in relation to the tool edge radius and cutting conditions in nanoscale cutting of silicon. Int J Mach Tools Manuf2007; 47: 562–569. https://doi.org/10.1016/j.ijmachtools.2006.05.006.
47.
ZhuP, and FangF.Study of the minimum depth of material removal in nanoscale mechanical machining of single crystalline copper. Comput Mater Sci2016; 118: 192–202. https://doi.org/10.1016/j.commatsci.2016.03.023.
