Anisotropy of single crystal 3C-SiC during nanometric cutting

Saurav Goel, Alexander Stukowski, Xichun Luo, Anupam Agrawal, Robert L Reuben

Research output: Contribution to journalArticle

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Abstract

3C-SiC (the only polytype of SiC that resides in a diamond cubic lattice structure) is a relatively new material that exhibits most of the desirable engineering properties required for advanced electronic applications. The anisotropy exhibited by 3C-SiC during its nanometric cutting is significant, and the potential for its exploitation has yet to be fully investigated. This paper aims to understand the influence of crystal anisotropy of 3C-SiC on its cutting behaviour. A molecular dynamics simulation model was developed to simulate the nanometric cutting of single-crystal 3C-SiC in nine (9) distinct combinations of crystal orientations and cutting directions, i.e. (1 1 1) ⟨-1 1 0⟩, (1 1 1) ⟨-2 1 1⟩, (1 1 0) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, (1 1 0) ⟨1 1 -2⟩, (0 0 1) ⟨-1 1 0⟩, (0 0 1) ⟨1 0 0⟩, (1 1 -2) ⟨1 -1 0⟩ and (1 -2 0) ⟨2 1 0⟩. In order to ensure the reliability of the simulation results, two separate simulation trials were carried out with different machining parameters. In the first trial, a cutting tool rake angle of -25°, d/r (uncut chip thickness/cutting edge radius) ratio of 0.57 and cutting velocity of 10 m s-1 were used whereas a second trial was done using a cutting tool rake angle of -30°, d/r ratio of 1 and cutting velocity of 4 m s-1. Both the trials showed similar anisotropic variation. The simulated orthogonal components of thrust force in 3C-SiC showed a variation of up to 45%, while the resultant cutting forces showed a variation of 37%. This suggests that 3C-SiC is highly anisotropic in its ease of deformation. These results corroborate with the experimentally observed anisotropic variation of 43.6% in Young's modulus of 3C-SiC. The recently developed dislocation extraction algorithm (DXA) [1, 2] was employed to detect the nucleation of dislocations in the MD simulations of varying cutting orientations and cutting directions. Based on the overall analysis, it was found that 3C-SiC offers ease of deformation on either (1 1 1) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, or (1 0 0) ⟨1 0 0⟩ setups.
LanguageEnglish
Article number065004
Number of pages20
JournalModelling and Simulation in Materials Science and Engineering
Volume21
Issue number6
Early online date18 Jul 2013
DOIs
Publication statusPublished - Sep 2013

Fingerprint

Single Crystal
Anisotropy
Single crystals
anisotropy
single crystals
Dislocation
Crystal
MD Simulation
Angle
Cutting Force
Lattice Structure
Young's Modulus
Strombus or kite or diamond
Nucleation
Machining
Cutting tools
Exploitation
Molecular Dynamics Simulation
rakes
Dynamic Model

Keywords

  • electronic application
  • engineering properties
  • extraction algorithms
  • machining parameters
  • molecular dynamics simlation model
  • nano-metric cuttings
  • orthogonal components
  • uncut chip thickness

Cite this

Goel, Saurav ; Stukowski, Alexander ; Luo, Xichun ; Agrawal, Anupam ; Reuben, Robert L . / Anisotropy of single crystal 3C-SiC during nanometric cutting. In: Modelling and Simulation in Materials Science and Engineering . 2013 ; Vol. 21, No. 6.
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Anisotropy of single crystal 3C-SiC during nanometric cutting. / Goel, Saurav ; Stukowski, Alexander; Luo, Xichun; Agrawal, Anupam; Reuben, Robert L .

In: Modelling and Simulation in Materials Science and Engineering , Vol. 21, No. 6, 065004, 09.2013.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Anisotropy of single crystal 3C-SiC during nanometric cutting

AU - Goel, Saurav

AU - Stukowski, Alexander

AU - Luo, Xichun

AU - Agrawal, Anupam

AU - Reuben, Robert L

PY - 2013/9

Y1 - 2013/9

N2 - 3C-SiC (the only polytype of SiC that resides in a diamond cubic lattice structure) is a relatively new material that exhibits most of the desirable engineering properties required for advanced electronic applications. The anisotropy exhibited by 3C-SiC during its nanometric cutting is significant, and the potential for its exploitation has yet to be fully investigated. This paper aims to understand the influence of crystal anisotropy of 3C-SiC on its cutting behaviour. A molecular dynamics simulation model was developed to simulate the nanometric cutting of single-crystal 3C-SiC in nine (9) distinct combinations of crystal orientations and cutting directions, i.e. (1 1 1) ⟨-1 1 0⟩, (1 1 1) ⟨-2 1 1⟩, (1 1 0) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, (1 1 0) ⟨1 1 -2⟩, (0 0 1) ⟨-1 1 0⟩, (0 0 1) ⟨1 0 0⟩, (1 1 -2) ⟨1 -1 0⟩ and (1 -2 0) ⟨2 1 0⟩. In order to ensure the reliability of the simulation results, two separate simulation trials were carried out with different machining parameters. In the first trial, a cutting tool rake angle of -25°, d/r (uncut chip thickness/cutting edge radius) ratio of 0.57 and cutting velocity of 10 m s-1 were used whereas a second trial was done using a cutting tool rake angle of -30°, d/r ratio of 1 and cutting velocity of 4 m s-1. Both the trials showed similar anisotropic variation. The simulated orthogonal components of thrust force in 3C-SiC showed a variation of up to 45%, while the resultant cutting forces showed a variation of 37%. This suggests that 3C-SiC is highly anisotropic in its ease of deformation. These results corroborate with the experimentally observed anisotropic variation of 43.6% in Young's modulus of 3C-SiC. The recently developed dislocation extraction algorithm (DXA) [1, 2] was employed to detect the nucleation of dislocations in the MD simulations of varying cutting orientations and cutting directions. Based on the overall analysis, it was found that 3C-SiC offers ease of deformation on either (1 1 1) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, or (1 0 0) ⟨1 0 0⟩ setups.

AB - 3C-SiC (the only polytype of SiC that resides in a diamond cubic lattice structure) is a relatively new material that exhibits most of the desirable engineering properties required for advanced electronic applications. The anisotropy exhibited by 3C-SiC during its nanometric cutting is significant, and the potential for its exploitation has yet to be fully investigated. This paper aims to understand the influence of crystal anisotropy of 3C-SiC on its cutting behaviour. A molecular dynamics simulation model was developed to simulate the nanometric cutting of single-crystal 3C-SiC in nine (9) distinct combinations of crystal orientations and cutting directions, i.e. (1 1 1) ⟨-1 1 0⟩, (1 1 1) ⟨-2 1 1⟩, (1 1 0) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, (1 1 0) ⟨1 1 -2⟩, (0 0 1) ⟨-1 1 0⟩, (0 0 1) ⟨1 0 0⟩, (1 1 -2) ⟨1 -1 0⟩ and (1 -2 0) ⟨2 1 0⟩. In order to ensure the reliability of the simulation results, two separate simulation trials were carried out with different machining parameters. In the first trial, a cutting tool rake angle of -25°, d/r (uncut chip thickness/cutting edge radius) ratio of 0.57 and cutting velocity of 10 m s-1 were used whereas a second trial was done using a cutting tool rake angle of -30°, d/r ratio of 1 and cutting velocity of 4 m s-1. Both the trials showed similar anisotropic variation. The simulated orthogonal components of thrust force in 3C-SiC showed a variation of up to 45%, while the resultant cutting forces showed a variation of 37%. This suggests that 3C-SiC is highly anisotropic in its ease of deformation. These results corroborate with the experimentally observed anisotropic variation of 43.6% in Young's modulus of 3C-SiC. The recently developed dislocation extraction algorithm (DXA) [1, 2] was employed to detect the nucleation of dislocations in the MD simulations of varying cutting orientations and cutting directions. Based on the overall analysis, it was found that 3C-SiC offers ease of deformation on either (1 1 1) ⟨-1 1 0⟩, (1 1 0) ⟨0 0 1⟩, or (1 0 0) ⟨1 0 0⟩ setups.

KW - electronic application

KW - engineering properties

KW - extraction algorithms

KW - machining parameters

KW - molecular dynamics simlation model

KW - nano-metric cuttings

KW - orthogonal components

KW - uncut chip thickness

UR - http://iopscience.iop.org/0965-0393/

U2 - 10.1088/0965-0393/21/6/065004

DO - 10.1088/0965-0393/21/6/065004

M3 - Article

VL - 21

JO - Modelling and Simulation in Materials Science and Engineering

T2 - Modelling and Simulation in Materials Science and Engineering

JF - Modelling and Simulation in Materials Science and Engineering

SN - 0965-0393

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M1 - 065004

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