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 language | English |
|---|---|
| Pages (from-to) | 66-71 |
| Number of pages | 6 |
| Journal | Applied Surface Science |
| Volume | 259 |
| DOIs | |
| Publication status | Published - 2012 Oct 15 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Research on the effects of machining-induced subsurface damages on mono-crystalline silicon via molecular dynamics simulation
AU - Zhao, Hongwei
AU - Shi, Chengli
AU - Zhang, Peng
AU - Zhang, Lin
AU - Huang, Hu
AU - Yan, Jiwang
PY - 2012/10/15
Y1 - 2012/10/15
N2 - 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.
AB - 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.
KW - Machining-induced phase transform
KW - Molecular dynamics
KW - Nano-cutting
KW - Nanoindentation
KW - Silicon
UR - http://www.scopus.com/inward/record.url?scp=84866039878&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84866039878&partnerID=8YFLogxK
U2 - 10.1016/j.apsusc.2012.06.087
DO - 10.1016/j.apsusc.2012.06.087
M3 - Article
AN - SCOPUS:84866039878
VL - 259
SP - 66
EP - 71
JO - Applied Surface Science
JF - Applied Surface Science
SN - 0169-4332
ER -