Atomistic Studies of Nanoindentation—A Review of Recent Advances

Ruestes, Carlos J.; Alhafez, Iyad Alabd; Urbassek, Herbert M.

doi:10.3390/cryst7100293

Cited by 58 publications

(37 citation statements)

References 108 publications

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“…This study is intended to fill this gap. As MD simulation can capture atomic details of the wear process, MD simulation has been a powerful tool to study the mechanisms of nanoscale wear [25]. Therefore, in this work, MD simulations of the nanoscratching process of single-crystal and polycrystalline silicon using a diamond tool are performed to explore the effects of grain size on the wear behaviors of polycrystalline silicon.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

Zhu

Gong

2018

Crystals

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In this work, molecular dynamics simulations of the nanoscratching of polycrystalline and singlecrystalline silicon substrates using a single-crystal diamond tool are conducted to investigate the grain size effect on the nanoscale wear process of polycrystalline silicon. We find that for a constant indentation depth, both the average normal force and friction force are much larger for single-crystalline silicon compared to polycrystalline silicon. It is also found that, for the polycrystalline substrates, both the average normal force and friction force increase with increasing grain size. However, the friction coefficient decreases with increasing grain size, and is the smallest for single-crystalline silicon. We also find that the quantity of wear atoms increases nonlinearly with the average normal load, inconsistent with Archard’s law. The quantity of wear atoms is smaller for polycrystalline substrates with a larger average grain size. The grain size effect in the nanoscale wear can be attributed to the fact that grain boundaries contribute to the plastic deformation of polycrystalline silicon.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

Zhu

Gong

2018

Crystals

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“…Another four atom layers are thermostatted at a low temperature, < 1 K, to keep the system at low temperature. This low temperature eases the detection of lattice defects [32,33].…”

Section: Simulation Methodsmentioning

confidence: 96%

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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“…Furthermore, numerical methods add more detailed information to the experiments concerning the stress-strain behavior [3,5,6]. Molecular dynamics (MD) simulations specifically provided a valuable understanding of the nanoplasticity and dislocation density generated underneath a nanoindenter [7,8].…”

Section: Introductionmentioning

confidence: 99%

Cyclic Indentation of Iron: A Comparison of Experimental and Atomistic Simulations

Deldar

Alhafez

Smaga

et al. 2019

Metals

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Cyclic indentation is a technique used to characterize materials by indenting repeatedly on the same location. This technique allows information to be obtained on how the plastic material response changes under repeated loading. We explore the processes underlying this technique using a combined experimental and simulative approach. We focus on the loading–unloading hysteresis and the dependence of the hysteresis width ha,p on the cycle number. In both approaches, we obtain a power-law demonstrating ha,p with respect to the hardening exponent e. A detailed analysis of the atomistic simulation results shows that changes in the dislocation network under repeated indentation are responsible for this behavior.

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Atomistic Studies of Nanoindentation—A Review of Recent Advances

Cited by 58 publications

References 108 publications

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

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

Cyclic Indentation of Iron: A Comparison of Experimental and Atomistic Simulations

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