Numerical study of three-body diamond abrasive nanoindentation of single-crystal Si by molecular dynamics simulation

Dai, Houfu; Zhang, Fa; Zhou, Yuqi; Chen, Jianbin

doi:10.1007/s00339-019-2643-4

Cited by 14 publications

(5 citation statements)

References 51 publications

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“…Temperature is an intrinsic measurement of the calculated overall properties of the workpiece, and the formula is: 1 2 ∑ i m i v i 2 = 3 2 N k b T , where only the atoms in the measurement area are calculated to ensure the accuracy of the results, v i represents the speed of the i th atom, m i denotes the mass of i th atom, and k b represents the Boltzmann constant. 50–53 The workpiece is relatively stationary during polishing; therefore, the change of kinetic energy caused by workpiece motion should be ignored in calculations. Figure 5(a) demonstrates that when processing is carried out under graphene lubrication, the polishing zone has a higher temperature peak and a faster temperature drop, which is determined based on the good thermal conductivity of graphene.…”

Section: Resultsmentioning

confidence: 99%

Lubricating effect of graphene during ultra-precision mechanical polishing by atomic scale simulation

Dai

2021

Proceedings of the Institution of Mechanical Engineers, Part B:

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As a new two-dimensional material with unique friction and wear properties, graphene often serves as a solid lubricant. In order to better understand the lubrication effect of graphene in the process of three-body polishing of single crystal silicon with diamond abrasive, a molecular dynamics model of this process was established in this study. Further, the changes of coordination number, friction coefficient, temperature, potential energy, stress, and surface/subsurface damage in the process of three-body polishing were analyzed in detail. The results showed that graphene lubrication could enhance the heat dissipation and reduce the number of defect atoms, friction coefficient, potential energy, stress, and chips. Therefore, less subsurface damage and material resistance were observed in the workpiece with graphene lubrication during machining. In general, graphene can be used as a high-quality solid lubricant in the three-body polishing of single crystal silicon using diamond abrasive because of its excellent lubricating effect.

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Section: Resultsmentioning

confidence: 99%

Lubricating effect of graphene during ultra-precision mechanical polishing by atomic scale simulation

Dai

2021

Proceedings of the Institution of Mechanical Engineers, Part B:

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“…Therefore, the diamond indenter can be set as an absolute rigid body without deformation. 32 Meanwhile, in order to ensure the accuracy of simulation and shorten the computation time, the sizes of the workpiece is 30a � 30a � 30a (a ¼ 5:43 A o , which is the lattice constant of a single crystal Si) and the orientations of the single-crystal On the other hand, there are 217,800 silicon atoms in the workpiece, which are divided into three parts: boundary atoms, thermostat atoms and Newtonian atoms. 33 The boundary atoms that do not participate in the calculation are located at the bottom of the workpiece and remain fixed in space.…”

Section: Simulation Methodsmentioning

confidence: 99%

“…49 As it is shown in Table 5, when the cutoff distance is set to 2.6 A ˚, CN can be used to distinguish most of atoms in different phases. 32 It can be seen from Table 5 that the CN of Si-I phase is 4, which is brittle; Bct-5 still has crystal structure, but CN ¼ 5; the CN of Si-II phase is 6, which is plastic. The atoms with CN ¼ 3 are the atoms at the interface.…”

Section: Parametermentioning

confidence: 99%

Mechanism of crack evolution in nano-indentation of single crystal silicon by atomistic simulations and theoretical analysis

Zhou

Dai

2021

Proceedings of the Institution of Mechanical Engineers, Part C:

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The molecular dynamics (MD) model of nano-indentation process was established to study the crack evolution in single crystal during nano-indentation. Two workpieces with different cracks and one workpiece with no crack were selected for indentation simulation in this study. The parameters of atom displacement, coordination number (CN), temperature, potential energy and loading force in the indentation process are analyzed in detail. Cracks were found to close during nano-indentation. Two modes of crack closure are observed: cooperative displacement and indentation failure. The existence of cracks will affect the size of transformation zone and the coordination number of atoms after indentation. Besides, the existence of cracks will reduce the increase of temperature and potential energy, and the closing mode of cracks is found to affect the value of indentation load. In addition, the change of stress with indentation depth at crack tip is calculated by theoretical model. The calculated stress curves reveal the evolution trend of cracks during indentation. These results provide guidance for the production of silicon wafer with higher surface quality.

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“…The results showed that the oscillating movement has remarkable results in wiping out asperity atoms, although at high amplitude and low frequency causing some atoms from the flat substrate stuck to the abrasive and left some surface defects. Dai et al [21]. studied the nanoindentation mechanism of single crystal silicon at different rotational speeds.…”

Section: Introductionmentioning

confidence: 99%

Tribological characteristics of three-body abrasive wear on MoS2 films

Dong,

Zou,

Cheng

et al. 2024

Acta Mech

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Aiming at the problem of the failure of bearing lubrication caused by the entry of fine dust into the spacecraft, a molecular dynamic simulation method was proposed to study the wear characteristics of the bearing lubricating film. Firstly, the atomic model of MoS2 thin film is established, and the motion state of dust particles on the surface of MoS2 thin film is divided (sliding abrasive and rotating abrasive). Secondly, the characteristics of sliding and rotating abrasive wear are studied by applying different loads to the abrasives. Finally, the surface structure of the substrate was changed to explore the adsorption and wear characteristics of the one-dimensional rough substrate. The following conclusions are obtained: 1) sliding abrasive and rotating abrasive have different wear mechanisms. The wear of sliding abrasive originates from the accumulation and release of tangential force.The main source of wear in rotating abrasive is the release of tangential force and the action of tangential force caused by rolling; 2) The relationship between sliding friction and rolling friction at the atomic scale is the same as that at the macroscopic scale. Rolling friction is much less friction than sliding friction. Rolling friction causes less damage to the film than sliding friction; 3) The one-dimensional rough substrate reduces the contact area between the film and the film, resulting in a decrease in the adsorption between the film and the substrate. The asperity structure of rough substrates reduces the lubricity of the film compared to smooth substrates.

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Numerical study of three-body diamond abrasive nanoindentation of single-crystal Si by molecular dynamics simulation

Cited by 14 publications

References 51 publications

Lubricating effect of graphene during ultra-precision mechanical polishing by atomic scale simulation

Lubricating effect of graphene during ultra-precision mechanical polishing by atomic scale simulation

Mechanism of crack evolution in nano-indentation of single crystal silicon by atomistic simulations and theoretical analysis

Tribological characteristics of three-body abrasive wear on MoS2 films

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