Atomic-scale characterization of occurring phenomena during hot nanometric cutting of single crystal 3C-SiC

Saeed Zare Chavoshi, Xichun Luo

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Nanometric cutting of single crystal 3C-SiC on the three principal crystal orientations at various cutting temperatures spanning from 300 K to 3000 K was investigated by the use of molecular dynamics (MD) simulation. The dominance of the (111) cleavage was observed for all the tested temperatures. An observation of particular interest was the shift to the (110) cleavage at cutting temperatures higher than 2000 K. Another key finding was the increase of anisotropy in specific cutting energy from ~30% at 300 K to ~44% at 1400 K, followed by a drop to ~36% and ~24% at 1700 K and 2000 K, respectively. The obtained results also indicated that the specific cutting energies required for cutting surfaces of different orientations decrease by 33%-43% at 2000 K compared to what are required at 300 K. Moreover, the position of stagnation region was observed to vary with changes in temperature and crystallographic orientation. Further analysis revealed that the subsurface deformation was maximum on the (111) surface whereas it was minimum on the (110) plane. This is attributable to the occurrence of cleavage and the location of the stagnation region. In addition, the amount of subsurface damage scaled linearly with the increase of cutting temperature. A vortex flow of atoms beneath the cutting tool was also observed, which is qualitatively analogous to the plastic flow of silicon. The simulations also predicted that the atom-by-atom attrition wear and plastic deformation of the diamond cutting tool could be alleviated while cutting at high temperatures. Nevertheless, chemical wear i.e. dissolution-diffusion and adhesion wear is plausible to be accelerated at high temperatures.
LanguageEnglish
Pages71409-71424
Number of pages16
JournalRSC Advances
Volume6
Issue number75
Early online date19 Jul 2016
DOIs
Publication statusPublished - 27 Jul 2016

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Single crystals
Wear of materials
Temperature
Atoms
Diamond cutting tools
Silicon
Cutting tools
Plastic flow
Crystal orientation
Molecular dynamics
Plastic deformation
Dissolution
Vortex flow
Anisotropy
Adhesion
Computer simulation

Keywords

  • 3C–SiC
  • nanometric cutting
  • chemical wear

Cite this

@article{87128723665b4e1dbcf97db1790e9862,
title = "Atomic-scale characterization of occurring phenomena during hot nanometric cutting of single crystal 3C-SiC",
abstract = "Nanometric cutting of single crystal 3C-SiC on the three principal crystal orientations at various cutting temperatures spanning from 300 K to 3000 K was investigated by the use of molecular dynamics (MD) simulation. The dominance of the (111) cleavage was observed for all the tested temperatures. An observation of particular interest was the shift to the (110) cleavage at cutting temperatures higher than 2000 K. Another key finding was the increase of anisotropy in specific cutting energy from ~30{\%} at 300 K to ~44{\%} at 1400 K, followed by a drop to ~36{\%} and ~24{\%} at 1700 K and 2000 K, respectively. The obtained results also indicated that the specific cutting energies required for cutting surfaces of different orientations decrease by 33{\%}-43{\%} at 2000 K compared to what are required at 300 K. Moreover, the position of stagnation region was observed to vary with changes in temperature and crystallographic orientation. Further analysis revealed that the subsurface deformation was maximum on the (111) surface whereas it was minimum on the (110) plane. This is attributable to the occurrence of cleavage and the location of the stagnation region. In addition, the amount of subsurface damage scaled linearly with the increase of cutting temperature. A vortex flow of atoms beneath the cutting tool was also observed, which is qualitatively analogous to the plastic flow of silicon. The simulations also predicted that the atom-by-atom attrition wear and plastic deformation of the diamond cutting tool could be alleviated while cutting at high temperatures. Nevertheless, chemical wear i.e. dissolution-diffusion and adhesion wear is plausible to be accelerated at high temperatures.",
keywords = "3C–SiC, nanometric cutting, chemical wear",
author = "{Zare Chavoshi}, Saeed and Xichun Luo",
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Atomic-scale characterization of occurring phenomena during hot nanometric cutting of single crystal 3C-SiC. / Zare Chavoshi, Saeed; Luo, Xichun.

In: RSC Advances, Vol. 6, No. 75, 27.07.2016, p. 71409-71424.

Research output: Contribution to journalArticle

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AU - Luo, Xichun

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N2 - Nanometric cutting of single crystal 3C-SiC on the three principal crystal orientations at various cutting temperatures spanning from 300 K to 3000 K was investigated by the use of molecular dynamics (MD) simulation. The dominance of the (111) cleavage was observed for all the tested temperatures. An observation of particular interest was the shift to the (110) cleavage at cutting temperatures higher than 2000 K. Another key finding was the increase of anisotropy in specific cutting energy from ~30% at 300 K to ~44% at 1400 K, followed by a drop to ~36% and ~24% at 1700 K and 2000 K, respectively. The obtained results also indicated that the specific cutting energies required for cutting surfaces of different orientations decrease by 33%-43% at 2000 K compared to what are required at 300 K. Moreover, the position of stagnation region was observed to vary with changes in temperature and crystallographic orientation. Further analysis revealed that the subsurface deformation was maximum on the (111) surface whereas it was minimum on the (110) plane. This is attributable to the occurrence of cleavage and the location of the stagnation region. In addition, the amount of subsurface damage scaled linearly with the increase of cutting temperature. A vortex flow of atoms beneath the cutting tool was also observed, which is qualitatively analogous to the plastic flow of silicon. The simulations also predicted that the atom-by-atom attrition wear and plastic deformation of the diamond cutting tool could be alleviated while cutting at high temperatures. Nevertheless, chemical wear i.e. dissolution-diffusion and adhesion wear is plausible to be accelerated at high temperatures.

AB - Nanometric cutting of single crystal 3C-SiC on the three principal crystal orientations at various cutting temperatures spanning from 300 K to 3000 K was investigated by the use of molecular dynamics (MD) simulation. The dominance of the (111) cleavage was observed for all the tested temperatures. An observation of particular interest was the shift to the (110) cleavage at cutting temperatures higher than 2000 K. Another key finding was the increase of anisotropy in specific cutting energy from ~30% at 300 K to ~44% at 1400 K, followed by a drop to ~36% and ~24% at 1700 K and 2000 K, respectively. The obtained results also indicated that the specific cutting energies required for cutting surfaces of different orientations decrease by 33%-43% at 2000 K compared to what are required at 300 K. Moreover, the position of stagnation region was observed to vary with changes in temperature and crystallographic orientation. Further analysis revealed that the subsurface deformation was maximum on the (111) surface whereas it was minimum on the (110) plane. This is attributable to the occurrence of cleavage and the location of the stagnation region. In addition, the amount of subsurface damage scaled linearly with the increase of cutting temperature. A vortex flow of atoms beneath the cutting tool was also observed, which is qualitatively analogous to the plastic flow of silicon. The simulations also predicted that the atom-by-atom attrition wear and plastic deformation of the diamond cutting tool could be alleviated while cutting at high temperatures. Nevertheless, chemical wear i.e. dissolution-diffusion and adhesion wear is plausible to be accelerated at high temperatures.

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