Molecular dynamics investigations of mechanical behaviours in monocrystalline silicon due to nanoindentation at cryogenic temperatures and room temperature

Du, Xiancheng; Zhao, Hongwei; Zhang, Lin; Yang, Yihan; Xu, Hailong; Fu, Haishuang; Li, Lijia

doi:10.1038/srep16275

Cited by 80 publications

(26 citation statements)

References 37 publications

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“…Already in our previous report [19] we mentioned a number of studies on Si [40][41][42]. Research in this material is still very active as is evidenced by the large number of recent publications [43][44][45][46][47][48].…”

Section: Simentioning

confidence: 99%

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Atomistic Studies of Nanoindentation—A Review of Recent Advances

2017

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This review covers areas where our understanding of the mechanisms underlying nanoindentation has been increased by atomistic studies of the nanoindentation process. While such studies have been performed now for more than 20 years, recent investigations have demonstrated that the peculiar features of nanoplasticity generated during indentation can be analyzed in considerable detail by this technique. Topics covered include: nucleation of dislocations in ideal crystals, effect of surface orientation, effect of crystallography (fcc, bcc, hcp), effect of surface and bulk damage on plasticity, nanocrystalline samples, and multiple (sequential) indentation. In addition we discuss related features, such as the influence of tip geometry on the indentation and the role of adhesive forces, and how pre-existing plasticity affects nanoindentation.

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Section: Simentioning

confidence: 99%

“…Du et al [43] report a temperature effect in nanoindentation between 10 and 300 K; with plastic indentation depth increasing and hardness decreasing when temperature increases. In addition they find an influence of the temperature on the crystalline solid-solid transformations occurring under the Tersoff potential.…”

Section: Simentioning

confidence: 99%

Atomistic Studies of Nanoindentation—A Review of Recent Advances

2017

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Section: Simulation Model and Methodologymentioning

confidence: 99%

“…where V(r) is a pair potential energy function, D = 0.435 eV is the cohesion energy, α = 4.6487 Å −1 is relevant to the elastic modulus, r and r0 = 1.9475 Å are the instantaneous and equilibrium distance between two atoms, respectively [21,33]. In the CMP process, ceria particles are usually used as abrasive particles with higher hardness when compared to monocrystalline silicon [30], which can be treated as rigid particles.…”

Section: Simulation Model and Methodologymentioning

confidence: 99%

“…Fang et al [18] assumed an ellipsoidal particle as the first approximation to model real particle contours in three-body abrasion. 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.…”

Section: Introductionmentioning

confidence: 99%

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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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Cutting of Al/Si bilayer systems: molecular dynamics study of twinning, phase transformation, and cracking

Vardanyan

Zhang

Alhafez

et al. 2020

Int J Adv Manuf Technol

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Using the molecular dynamics simulation, we study the cutting of Al/Si bilayer systems. While the plasticity of metals is dominated by dislocation activity, the deformation behavior of Si crystals is governed by phase transformations-here to the amorphous phase. We find that twinning adds as a major deformation mechanism in the cutting of Al crystals. Cutting of Si crystals requires thrust forces that are larger than the cutting forces in order to induce amorphization; in metals, the thrust forces are relatively smaller than the cutting forces. When putting an Al top layer on a Si substrate, the thrust force is reduced; the opposite effect is observed if a Si top layer is put on an Al substrate. Covering an Al substrate with a thin Si top layer has the detrimental effect that the hard Si requires high pressures for cutting; as a consequence, twinning planes with intersecting directions are generated that ultimately lead to cracks in the ductile Al substrate. The crystallinity of the Si chip is strongly changed if an Al substrate is put under the Si top layer: With decreasing thickness of the Si top layer, the Si chip retains a higher degree of crystallinity.

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Molecular dynamics investigations of mechanical behaviours in monocrystalline silicon due to nanoindentation at cryogenic temperatures and room temperature

Cited by 80 publications

References 37 publications

Atomistic Studies of Nanoindentation—A Review of Recent Advances

Atomistic Studies of Nanoindentation—A Review of Recent Advances

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

Cutting of Al/Si bilayer systems: molecular dynamics study of twinning, phase transformation, and cracking

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