Dislocation-mediated plasticity in silicon during nanometric cutting: a molecular dynamics simulation study materials science in semiconductor processing

Saeed Zare Chavoshi, Shuzhi Xu, Xichun Luo

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

The nucleation and propagation of dislocations and its consequence on the defect structure in silicon during nanometric cutting are not well known, although the amorphization and high pressure phase transformation studies on silicon have remained at the epicentre of research across various disparate disciplines for over a decade. This paper proposes a new mechanism of crystal plasticity identified by a fully automated dislocation extraction algorithm in molecular dynamics simulations of nanometric cutting of silicon for different cutting planes/directions at a wide range of temperatures (300 K-1500 K). Alongside amorphization of silicon, our simulations revealed nanoscale stochastic nucleation of dislocations and stacking faults, which serve as mediators of microscopic plasticity during various contact loading operations and manufacturing processes of silicon. Of interest is that, irrespective of the cutting temperature, the stacking faults, which were not formed for both the (010)[100] and (111)[1 ̅10] crystal setups, were generated with three atomic layers in the (110)[001 ̅] cutting.
LanguageEnglish
Pages60-70
Number of pages11
JournalMaterials Science in Semiconductor Processing
Volume51
Early online date19 May 2016
DOIs
Publication statusPublished - 15 Aug 2016

Fingerprint

Silicon
Materials science
materials science
plastic properties
Plasticity
Molecular dynamics
Semiconductor materials
molecular dynamics
Dislocations (crystals)
Computer simulation
silicon
Processing
Amorphization
Stacking faults
simulation
crystal defects
loading operations
Nucleation
nucleation
Crystals

Keywords

  • molecular dynamics
  • dislocation nucleation
  • amorphization
  • nanometric cutting
  • single crystalline silicon

Cite this

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title = "Dislocation-mediated plasticity in silicon during nanometric cutting: a molecular dynamics simulation study materials science in semiconductor processing",
abstract = "The nucleation and propagation of dislocations and its consequence on the defect structure in silicon during nanometric cutting are not well known, although the amorphization and high pressure phase transformation studies on silicon have remained at the epicentre of research across various disparate disciplines for over a decade. This paper proposes a new mechanism of crystal plasticity identified by a fully automated dislocation extraction algorithm in molecular dynamics simulations of nanometric cutting of silicon for different cutting planes/directions at a wide range of temperatures (300 K-1500 K). Alongside amorphization of silicon, our simulations revealed nanoscale stochastic nucleation of dislocations and stacking faults, which serve as mediators of microscopic plasticity during various contact loading operations and manufacturing processes of silicon. Of interest is that, irrespective of the cutting temperature, the stacking faults, which were not formed for both the (010)[100] and (111)[1 ̅10] crystal setups, were generated with three atomic layers in the (110)[001 ̅] cutting.",
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author = "{Zare Chavoshi}, Saeed and Shuzhi Xu and Xichun Luo",
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AU - Luo, Xichun

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N2 - The nucleation and propagation of dislocations and its consequence on the defect structure in silicon during nanometric cutting are not well known, although the amorphization and high pressure phase transformation studies on silicon have remained at the epicentre of research across various disparate disciplines for over a decade. This paper proposes a new mechanism of crystal plasticity identified by a fully automated dislocation extraction algorithm in molecular dynamics simulations of nanometric cutting of silicon for different cutting planes/directions at a wide range of temperatures (300 K-1500 K). Alongside amorphization of silicon, our simulations revealed nanoscale stochastic nucleation of dislocations and stacking faults, which serve as mediators of microscopic plasticity during various contact loading operations and manufacturing processes of silicon. Of interest is that, irrespective of the cutting temperature, the stacking faults, which were not formed for both the (010)[100] and (111)[1 ̅10] crystal setups, were generated with three atomic layers in the (110)[001 ̅] cutting.

AB - The nucleation and propagation of dislocations and its consequence on the defect structure in silicon during nanometric cutting are not well known, although the amorphization and high pressure phase transformation studies on silicon have remained at the epicentre of research across various disparate disciplines for over a decade. This paper proposes a new mechanism of crystal plasticity identified by a fully automated dislocation extraction algorithm in molecular dynamics simulations of nanometric cutting of silicon for different cutting planes/directions at a wide range of temperatures (300 K-1500 K). Alongside amorphization of silicon, our simulations revealed nanoscale stochastic nucleation of dislocations and stacking faults, which serve as mediators of microscopic plasticity during various contact loading operations and manufacturing processes of silicon. Of interest is that, irrespective of the cutting temperature, the stacking faults, which were not formed for both the (010)[100] and (111)[1 ̅10] crystal setups, were generated with three atomic layers in the (110)[001 ̅] cutting.

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