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Frontiers of Mechanical Engineering

ISSN 2095-0233

ISSN 2095-0241(Online)

CN 11-5984/TH

Postal Subscription Code 80-975

2018 Impact Factor: 0.989

Front. Mech. Eng.    2023, Vol. 18 Issue (1) : 17    https://doi.org/10.1007/s11465-022-0733-z
RESEARCH ARTICLE
Tribological mechanism of carbon group nanofluids on grinding interface under minimum quantity lubrication based on molecular dynamic simulation
Dexiang WANG1, Yu ZHANG1, Qiliang ZHAO1, Jingliang JIANG1, Guoliang LIU1,2, Changhe LI1()
1. School of Mechanical and Automotive Engineering, Qingdao University of Technology, Qingdao 266520, China
2. State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China
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Abstract

Carbon group nanofluids can further improve the friction-reducing and anti-wear properties of minimum quantity lubrication (MQL). However, the formation mechanism of lubrication films generated by carbon group nanofluids on MQL grinding interfaces is not fully revealed due to lack of sufficient evidence. Here, molecular dynamic simulations for the abrasive grain/workpiece interface were conducted under nanofluid MQL, MQL, and dry grinding conditions. Three kinds of carbon group nanoparticles, i.e., nanodiamond (ND), carbon nanotube (CNT), and graphene nanosheet (GN), were taken as representative specimens. The [BMIM]BF4 ionic liquid was used as base fluid. The materials used as workpiece and abrasive grain were the single-crystal Ni–Fe–Cr series of Ni-based alloy and single-crystal cubic boron nitride (CBN), respectively. Tangential grinding force was used to evaluate the lubrication performance under the grinding conditions. The abrasive grain/workpiece contact states under the different grinding conditions were compared to reveal the formation mechanism of the lubrication film. Investigations showed the formation of a boundary lubrication film on the abrasive grain/workpiece interface under the MQL condition, with the ionic liquid molecules absorbing in the groove-like fractures on the grain wear’s flat face. The boundary lubrication film underwent a friction-reducing effect by reducing the abrasive grain/workpiece contact area. Under the nanofluid MQL condition, the carbon group nanoparticles further enhanced the tribological performance of the MQL technique that had benefited from their corresponding tribological behaviors on the abrasive grain/workpiece interface. The behaviors involved the rolling effect of ND, the rolling and sliding effects of CNT, and the interlayer shear effect of GN. Compared with the findings under the MQL condition, the tangential grinding forces could be further reduced by 8.5%, 12.0%, and 14.1% under the diamond, CNT, and graphene nanofluid MQL conditions, respectively.

Keywords grinding      minimum quantity lubrication      carbon group nanofluid      tribological mechanism     
Corresponding Author(s): Changhe LI   
Just Accepted Date: 09 September 2022   Issue Date: 26 April 2023
 Cite this article:   
Dexiang WANG,Yu ZHANG,Qiliang ZHAO, et al. Tribological mechanism of carbon group nanofluids on grinding interface under minimum quantity lubrication based on molecular dynamic simulation[J]. Front. Mech. Eng., 2023, 18(1): 17.
 URL:  
https://academic.hep.com.cn/fme/EN/10.1007/s11465-022-0733-z
https://academic.hep.com.cn/fme/EN/Y2023/V18/I1/17
Fig.1  Tribological behaviors of nanoparticles on the abrasive grain/workpiece interface: (a) rolling effect, (b) filling effect, (c) polishing effect, and (d) film effect.
Fig.2  Molecular dynamics model for the abrasive grain/workpiece interface.
Fig.3  Ni–Fe–Cr series of Ni-based alloy workpiece model.
Fig.4  Abrasive grain modeling process: (a) optical microscope image, (b) shape and dimension of the abrasive grain model, (c) noise treatment for the abrasive grain model, and (d) data format of the abrasive grain model.
Fig.5  Models of carbon group nanoparticles: (a) CNT; (b) ND; (c) GN.
Fig.6  Ionic liquid model: (a) optimal configuration of the [BMIM]BF4 molecule and (b) liquid film.
Fig.7  Models of nanofluids: (a) diamond nanofluid, (b) CNT nanofluid, and (c) graphene nanofluid.
Fig.8  Three simulation stages: (a) relaxation stage, (b) descent stage, and (c) grinding stage.
WorkpieceAbrasive grainD/eVα/??1r0/?
NiN1.55002.1601.8600
B1.12201.3402.1310
FeN1.54002.1441.8770
B1.11751.3241.6339
CrN1.58802.2401.8520
B1.14901.4161.6224
Tab.1  Morse potential function parameters. Reprinted with permission from Ref. [41] from Elsevier
NanoparticleWorkpieceAbrasive grainIonic liquidε/eVσ/?
CB0.00596163.5342
CN0.00369103.3459
CNi0.00172102.9778
CFe0.00172103.0620
CCr0.00160213.0126
CN0.00369103.3458
CC0.00455323.4309
CH0.00294753.0010
CB0.00596163.5342
CF0.00314203.2139
Tab.2  LJ parameters for the interaction between carbon nanoparticle atoms and the remaining atoms
Ionic liquidWorkpieceAbrasive grainε/eVσ/?
NNi0.00139512.8927
Fe0.00139512.9769
Cr0.00129882.9275
B0.00483273.4491
N0.00299213.2607
CNi0.00172102.9778
Fe0.00172103.0620
Cr0.00160213.0126
B0.00596163.5342
N0.00369103.3458
HNi0.00111402.5480
Fe0.00111402.6322
Cr0.00103712.5827
B0.00385923.1043
N0.00238942.9159
BNi0.00225333.0812
Fe0.00225333.1654
Cr0.00209773.1159
B0.00780553.6375
N0.00483273.4491
FNi0.00118762.7609
Fe0.00118762.8451
Cr0.00110562.7956
B0.00411393.3173
N0.00254713.1288
Tab.3  LJ parameters for the interaction between ionic liquid atoms and the remaining atoms except the carbon nanoparticle
Fig.9  Molecular dynamic simulations of tangential grinding forces: (a) histories of tangential grinding forces under different conditions, and (b) average tangential grinding forces under different conditions.
Fig.10  Comparisons of experimental data: (a)–(c) between MQL and DN-MQL; (d) between MQL, DN-MQL, and CNT-MQL; (e) between MQL and CNT-MQL; (f)–(i) between MQL and GN-MQL.
Fig.11  Abrasive grain/workpiece contact states: (a) under dry and (b) MQL grinding conditions.
Fig.12  von Mises stress distribution on the abrasive grain/workpiece interface.
Fig.13  Boundary lubrication region at the bottom of abrasive grains.
Fig.14  Tribological behaviors of ND on the abrasive grain/workpiece interface.
Fig.15  Effect of the number of diamond nanoparticles on tangential grinding force.
Fig.16  Boundary lubrication status on the abrasive grain/workpiece grinding interface under (a) MQL, (b) 1-DN-MQL, and (c) 5-DN-MQL conditions.
Fig.17  Tribological behaviors of CNTs on the grain /workpiece interface.
Fig.18  Two different postures of CNTs: (a) nearly perpendicular to the grinding direction, and (b) leaning at an angle of about 45° to the grinding direction.
Fig.19  Sliding effect of CNTs leaning at an angle of about 45° to the grinding direction.
Fig.20  Calculations of average tangential grinding forces under the MQL and CNT-MQL conditions.
Fig.21  Torsion behavior of CNT: (a) initial state, (b) bottom view of the abrasive grain at a grinding distance of 2.5 nm, and (c) top view of the workpiece-machined surface at a grinding distance of 2.5 nm.
Fig.22  Tribological behaviors of GNs on the abrasive grain/workpiece interface: (a) interlayer shear effect and (b) absence of the interlayer shear effect.
Fig.23  Comparison of tangential grinding force histories.
Fig.24  Welding of graphene layers in the molecular dynamic simulation.
Fig.25  SEM and EDS results of the workpiece-machined surface.
Fig.26  Bottom views of the grain wear’s flat face under (a)–(b) MQL, (c) 1-DN-MQL, (d) 5-DN-MQL, (e) CNT-MQL, and (f) GN-MQL conditions.
Abbreviations
CBNCubic boron nitride
CFRPCarbon fiber-reinforced polymer
CNTCarbon nanotube
CNT-MQLCarbon nanotube nanofluid minimum quantity lubrication
DN-MQLDiamond nanofluid minimum quantity lubrication
EDSEnergy dispersive spectrometer
GNGraphene nanosheet
GN-MQLGraphene nanofluid minimum quantity lubrication
LJLennard–Jones
MQLMinimum quantity lubrication
MWCNTMulti-walled carbon nanotube
NDNanodiamond
NMQLNanofluid minimum quantity lubrication
SEMScanning electron microscope
Variables
AlAction area of lubricating film
AsContact area between abrasive grain and workpiece
DBinding energy coefficient
ETotal energy
FEmbedding energy
FfFrictional force
KrBond-stretching energy coefficient
KθBond angle-bending energy coefficient
K?Torsion energy coefficient
nMultiphase factor
NTotal amount of atoms in the system
qi, qjElectrical charges of the atoms i and j, respectively
rBond length
r0Equilibrium bond length
rijDistance between atoms i and j
RPair interactions
tiChemical species (Fe, Ni, or Cr)
VVolume of the sphere
αGradient coefficient of potential energy curve
γEquilibrium dihedral angle
εijTraditional well-depth
θBond angle
θ0Equilibrium bond angle
ρiLocal electron density around atom i
σijDistance between atoms i and j
σvvon Mises equivalent stress
τlViscous resistance of ionic liquid
τsShear strength of workpiece material
  
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