Influence of microstructure on the cutting behaviour of silicon

Goel, Saurav; Kovalchenko, Andriy; Stukowski, Alexander; Cross, Graham L. W.

doi:10.1016/j.actamat.2015.11.046

Cited by 172 publications

(67 citation statements)

References 53 publications

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“…The interaction between graphene and the Si substrate was described by the van der Waals interaction using the LJ potential function, and the interaction strength can be modified by simply changing the energy depth [38]. The validity of these potential functions used in our model was verified by the fact that the simulated physical parameters, such as the lattice constant, Young's modulus, and shear modulus, etc., were very near to the experimental results [32,[37][38][39].…”

Section: Description Of the Potentials And Running Simulationsupporting

confidence: 81%

“…The Tersoff potential was applied to calculate the interactions among Si atoms [35]. This potential has been widely used for modeling Si [36,37]. The interaction between graphene and the Si substrate was described by the van der Waals interaction using the LJ potential function, and the interaction strength can be modified by simply changing the energy depth [38].…”

Section: Description Of the Potentials And Running Simulationmentioning

confidence: 99%

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Adhesion Behavior between Multilayer Graphene and Semiconductor Substrates

Zhang

Zhao

2018

Applied Sciences

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A high bonding strength between graphene and a semiconductor surface is significant to the performance of graphene-based Micro-Electro Mechanical Systems/Nano-Electro Mechanical Systems (MEMS/NEMS) devices. In this paper, by applying a series of constant vertical upward velocities (V up ) to the topmost layer of graphene, the exfoliation processes of multilayer graphene (one to ten layers) from an Si semiconductor substrate were simulated using the molecular dynamics method, and the bonding strength was calculated. The critical exfoliation velocities, adhesion forces, and adhesion energies to exfoliate graphene were obtained. In a system where the number of graphene layers is two or three, there are two critical exfoliation velocities. Graphene cannot be exfoliated when the V up is lower than the first critical velocity, although the total number of graphene layers can be exfoliated when the V up is in the range between the first critical velocity and second critical velocity. Only the topmost layer can be exfoliated to be free from the Si surface if the applied V up is greater than the second critical velocity. In systems where the number of graphene layers is four to ten, only the topmost layer can be free and exfoliated if the exfoliation velocity is greater than the critical velocity. It was found that a relatively low applied V up resulted in entire graphene layers peeling off from the substrate. The adhesion forces of one-layer to ten-layer graphene systems were in the range of 25.04 nN-74.75 nN, and the adhesion energy levels were in the range of 73.5 mJ/m 2 -188.45 mJ/m 2 . These values are consistent with previous experimental results, indicating a reliable bond strength between graphene and Si semiconductor surfaces.

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Section: Description Of the Potentials And Running Simulationsupporting

confidence: 81%

Section: Description Of the Potentials And Running Simulationmentioning

confidence: 99%

Adhesion Behavior between Multilayer Graphene and Semiconductor Substrates

Zhang

Zhao

2018

Applied Sciences

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“…In addition to experimental investigations, molecular dynamics (MD) simulations have also been used to explore the nanoscale deformation and wear mechanisms of silicon [16][17][18][19][20][21][22]. Zhang et al found scratching induced amorphous phase transformation in single-crystal silicon [16].…”

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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“…Although from a recent study made by the author's it is known that the modified version of the Tersoff variant underestimates the value of elastic modulus of silicon [17], it was still not known whether the material removal phenomena at high temperatures can be modelled appropriately and hence, following important research questions were identified as the missing gaps in the literature:…”

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confidence: 99%

Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation

Chavoshi

Goel

Luo

2016

Journal of Manufacturing Processes

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Using molecular dynamics (MD) simulation, this paper investigates anisotropic cutting behaviour of single crystal silicon in vacuum under a wide range of substrate temperatures (300 K, 500 K, 750 K, 850 K, 1173 K and 1500 K). Specific cutting energy, force ratio, stress in the cutting zone and cutting temperature were the indicators used to quantify the differences in the cutting behaviour of silicon. A key observation was that the specific cutting energy required to cut the (111) surface of silicon and the von Mises stress to yield the silicon reduces by 25% and 32%, respectively, at 1173 K compared to what is required at 300 K. The room temperature cutting anisotropy in the von Mises stress and the room temperature cutting anisotropy in the specific cutting energy (work done by the tool in removing unit volume of material) were obtained as 12% and 16% respectively. It was observed that this changes to 20% and 40%, respectively, when cutting was performed at 1500 K, signifying a very strong correlation between the anisotropy observed during cutting and the machining temperature.Furthermore, using the atomic strain criterion, the width of primary shear zone was found to vary with the orientation of workpiece surface and temperature i.e. it remains narrower while cutting the (111) surface of silicon or at higher machining temperatures. A major anecdote of 2 the study based on the potential function employed in the study is that, irrespective of the cutting plane or the cutting temperature, the state of the cutting edge of the diamond tool did not show direct diamond to graphitic phase transformation.

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Influence of microstructure on the cutting behaviour of silicon

Cited by 172 publications

References 53 publications

Adhesion Behavior between Multilayer Graphene and Semiconductor Substrates

Adhesion Behavior between Multilayer Graphene and Semiconductor Substrates

Molecular Dynamics Simulation of Nanoscale Abrasive Wear of Polycrystalline Silicon

Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation

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