Phase transformations of mono-crystal silicon induced by two-body and three-body abrasion in nanoscale

Sun, Jiapeng; Fang, Liang; Han, Jing; Han, Ying; Chen, Huwei; Sun, Kun

doi:10.1016/j.commatsci.2013.09.055

Cited by 40 publications

(37 citation statements)

References 52 publications

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“…2) Consequently, we obtained the complete scenario of structural changes induced in Si crystal directly under the diamond tip (Fig. 2), which agrees with previous achievements [22][23][24][26][27][28][30][31][32] and vindicates our MD-procedure with the Tersoff-type potential.…”

supporting

confidence: 78%

“…The interactions among Si atoms were defined by the three-body Tersoff-type interatomic potential [21] capable of capturing phase transformations between crystalline silicon structures [19,[22][23][24][26][27][28]. The interaction between the Si-crystal and a rigid, diamond, cono-spherical tip (the half apex angle of π/4, radius of R=5 nm) was defined by the repulsive Morse potential (cutoff radius 3 Å).…”

mentioning

confidence: 99%

“…The identification of high-pressure Si phases formed during the MD-simulated indentation was based on the available structural data [23,24,[26][27][28] and the Si atoms' coordination number (nearest neighbors, NN). As a result -in addition to the Si-I and Si-II phases -we detected the following features of a highly stressed Si-crystal: (1) the BCT5-structure (body-centered tetragonal) with 5 nearest neighbors (NN=5; one at a distance of 2.31 Å and four at 2.44 Å); (2) the Si-III phase (bc8, body-centered-cubic)…”

mentioning

confidence: 99%

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Origin of a Nanoindentation Pop-in Event in Silicon Crystal

2017

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confidence: 78%

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confidence: 99%

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confidence: 99%

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Origin of a Nanoindentation Pop-in Event in Silicon Crystal

2017

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“…Whilst, several simulated results showed that the Si-I transformed into two types of body-centered-tetragonal phase, i.e., β-Si and Bct5 with fivefold coordination [4,22,23]. The abrasive wear of monocrystalline silicon showed a new phase transformation route, i.e., an initial diamond cubic silicon turned into high density amorphous phase beneath the moving particle and, then transformed into low density metastable amorphous phase in both two-body and three-body abrasion [24,25]. Consequently, phase transformation of monocrystalline silicon is still a research focus due to its complexity and variability, especially in three-body abrasion process, although most of the simulations simplified and even neglected the effect of abrasive particle on the abrasion behavior.…”

Section: Introductionmentioning

confidence: 96%

“…In addition, much effort has been paid for the abrasion properties of monocrystalline silicon at nanoscale by the molecular dynamics (MD) simulation [19][20][21][22][23]. For instance, Sun et al [24,25] simulated three-body and two-body abrasive wear of monocrystalline silicon with sphere particle in geometry in the nanoscale. They became conscious of the rolling movement of sphere particle and found that the sliding of particle can prevent the large elastic recovery.…”

Section: Introductionmentioning

confidence: 99%

Influence of Abrasive Shape on the Abrasion and Phase Transformation of Monocrystalline Silicon

et al. 2018

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Abstract:The effect of abrasive shape on the three-body abrasion behaviors of monocrystalline silicon was investigated via molecular dynamics. The axial ratio of abrasive particle varied from 1.00 to 0.40 to mimic abrasive shape. It has been observed that the particle's movement became sliding instead of rolling when the axial ratio was smaller than a critical value 0.46. In the abrasion process, the friction force and normal force showed an approximately sinusoid-like fluctuation for the rolling ellipsoidal particles, while the front cutting of particle caused that friction force increased and became larger than normal force for sliding particles. The phase transformation process was tracked under different particle' movement patterns. The Si-II and Bct5 phase producing in loading process can partially transform to Si-III/Si-XII phase, and backtrack to original crystal silicon under pressure release, which also occurred in the abrasion process. The secondary phase transformation showed difference for particles' rolling and sliding movements after three-body abrasion. The rolling of particle induced the periodical and inhomogeneous deformation of substrates, while the sliding benefited producing high-quality surface in chemical mechanical polishing (CMP) process. This study aimed to construct a more precise model to understand the wear mechanism benefits evaluating the micro-electro-mechanical systems (MEMS) wear and CMP process of crystal materials.

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Nano‐adhesion and friction of multi‐asperity contact: a molecular dynamics simulation study

Wang

Xie

et al. 2015

Surface & Interface Analysis

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aIn our study, the contact and sliding processes between a flat plate and a substrate with multiple asperities are studied by molecular dynamics (MD) simulations, and how the number of asperities and asperity height influence the adhesion force and friction force are investigated thoroughly. The normal force versus the separation distance curve during contact processes is analyzed completely and from which the van der Waals (vdW) force (F vdW ) and the adhesion force (F adh ) are obtained and compared with the Katainen model. The adhesion force and the friction force increase linearly as the increase of the number of asperities (i.e. real contact area) with same asperity height. With the identical number of asperities, the adhesion force and the friction force decrease with the increase of the asperity height at first. However the reductions of the adhesion force and the friction force become less obvious, when the asperity height is larger than a critical value (20 Å for our simulation parameters).

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Phase transformations of mono-crystal silicon induced by two-body and three-body abrasion in nanoscale

Cited by 40 publications

References 52 publications

Origin of a Nanoindentation Pop-in Event in Silicon Crystal

Origin of a Nanoindentation Pop-in Event in Silicon Crystal

Influence of Abrasive Shape on the Abrasion and Phase Transformation of Monocrystalline Silicon

Nano‐adhesion and friction of multi‐asperity contact: a molecular dynamics simulation study

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