An MD study of the wear of defective tools in the nanometric cutting process

Introduction

An MD simulation analysis was conducted to compare the cutting response and the tool wear between flawed and flawless tool surfaces based on a three-layer nanometric cutting model.

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Methodology

Materials

• single diamond tool, with dimensions 11[100] 11[010] 22[001] in x, y, and z directions, edge radius = 4 x diamond unit cell
• 3C-SiC workpiece, with dimensions 65[010] 15[010] 18[001] in x, y, and z directions

Cutting Conditions

• Depth of cut = 5 x 3C-SiC unit cell length
• Cutting direction = [010]<-1 0 0> for ≈200 Å
• Initial temperature = 300 K

Simultion Settings

1. Equilibration

• NVT ensemble, timestep = 0.001 ps (1 fs) for 24000 steps

2. Cutting

• NVT+NVE ensembles, timestep = 0.0005 ps (0.5 fs) for 133000 steps

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Execution

Input Template:

• in.cutsic_eq.lmp

Potential

• EA Scr === pair_style atomistica BrennerScr

Variables

• v cutting velocity (unit = Å/ps)
• grooveDepth Depth of V-shaped groove defect on the diamond flank face (Range: [0-9], unit = length of a diamond unit cell)
• grooveTan Angle of V-shaped groove defect on the diamond flank face in tangent (e.g. input 1 for 45 degrees, 0.5 for 26.56(5) degrees)

example:

@Precision > mpirun -np 32 ../../lmp_mpi_20161117_atomistica046 < in.cutsic_eq.lmp -v v 3.0 -v grooveDepth 0 -v grooveTan 1.0

Citations and References

• If you utilize the materials in this repository, please cite the following paper:

  Fung, K. Y., Tang, C. Y., & Cheung, C. F. (2017). Molecular dynamics analysis of the effect of surface flaws of diamond tools on tool wear in nanometric cutting. Computational Materials Science, 133, 60-70.

• If you work with earlier versions of LAMMPS, please reference:

  Plimpton, S. (1995). Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics, 117, 1-19.

  For further details and citations for later versions of LAMMPS, please refer to the LAMMPS citation guidelines.

• If you publish results obtained using OVITO, please cite the following software in your publication:

  Stukowski, A. (2010). Visualization and analysis of atomistic simulation data with OVITO - the Open Visualization Tool. Modelling and Simulation in Materials Science and Engineering, 18, 015012.

  For additional information, please refer to the OVITO citation guidelines.

• For the atomic potential utilized in the MD simulations, please reference:

  Erhart, P., & Albe, K. (2005). Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide. Physical Review B, 71(3), 035211.