Research on the effects of machining-induced subsurface damages on mono-crystalline silicon via molecular dynamics simulation

Hongwei Zhao, Chengli Shi, Peng Zhang, Lin Zhang, Hu Huang, Jiwang Yan

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

Nanoindentation simulation via molecular dynamic (MD) method was carried out to investigate the characteristics of machining-induced subsurface damage of mono-crystalline silicon with a spherical diamond indenter. In this study, MD simulations of nano-cutting process were carried out firstly to cut through the specimen's surface with diamond cutting tools of different edge radius of 0 nm, 3 nm and 5 nm respectively. Then, MD simulation of nanoindentation on the machined surface was carried out. Tersoff potential was used to model the interaction of Si atoms, and the interaction between Si and C atoms was modeled by Morse potential. Simulational results indicate that during cutting process, the specimen undergo plastic deformation and phase transformation. After cutting process, the crystal lattice reconstructs and the residual amorphous layers lead to the formation of the machined surface. Nanoindentation results show that the hardness of the machined surface is smaller than mono-crystalline Si. So in order to get accurate properties of the pristine silicon or other semiconductor materials via experiments, the amorphous phase should be completely removed or it would influence the mechanical properties of the pristine materials.

Original languageEnglish
Pages (from-to)66-71
Number of pages6
JournalApplied Surface Science
Volume259
DOIs
Publication statusPublished - 2012 Oct 15
Externally publishedYes

Fingerprint

Silicon
Molecular dynamics
Machining
Nanoindentation
Crystalline materials
Computer simulation
Morse potential
Diamond cutting tools
Atoms
Diamond
Crystal lattices
Diamonds
Plastic deformation
Phase transitions
Hardness
Semiconductor materials
Mechanical properties
Experiments

Keywords

  • Machining-induced phase transform
  • Molecular dynamics
  • Nano-cutting
  • Nanoindentation
  • Silicon

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

Cite this

Research on the effects of machining-induced subsurface damages on mono-crystalline silicon via molecular dynamics simulation. / Zhao, Hongwei; Shi, Chengli; Zhang, Peng; Zhang, Lin; Huang, Hu; Yan, Jiwang.

In: Applied Surface Science, Vol. 259, 15.10.2012, p. 66-71.

Research output: Contribution to journalArticle

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AU - Yan, Jiwang

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