Molecular Dynamics Simulation of Nanometric Cutting

Promyoo, Rapeepan; El-Mounayri, Hazim; Yang, Xiaoping

doi:10.1080/10910344.2010.512852

Cited by 15 publications

(8 citation statements)

References 19 publications

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“…From Figure 6 , it can be seen that both F y and F z values increase as rake angle values increase in magnitude and eventually, F z values become greater than F y values. The increasing trend for both force components is consistent with every relevant work in the literature [ 10 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 ]. Moreover, a slower increase is attested for F y than for F z , as F z values increase 2.62 times, whereas F y values increase only 1.14 times, as it was also observed in several works, such as [ 38 , 39 , 43 , 48 ].…”

Section: Resultssupporting

confidence: 90%

“…In this set of simulations, the effect of abrasive grain rake angle is investigated for negative values starting from −5° to −60°. Although no similar works regarding the rake angle of abrasive grains are reported, this range of values was selected in accordance with the relevant literature on nanocutting simulations with negative rake angle tools [ 10 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 ]. More specifically, most authors have chosen negative rake angle values up to −45° [ 34 , 43 , 45 ] or −60° [ 10 , 35 , 38 ], and Lai et al [ 37 ] pointed out that the critical rake angle for formation of chip is −65°, as they proved that higher negative rake angles resulted in plastic deformation of the substrate without a pileup of atoms.…”

Section: Resultsmentioning

confidence: 99%

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Molecular Dynamics Study of the Effect of Abrasive Grains Orientation and Spacing during Nanogrinding

Karkalos

Markopoulos

2020

Micromachines

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Grinding at the nanometric level can be efficiently employed for the creation of surfaces with ultrahigh precision by removing a few atomic layers from the substrate. However, since measurements at this level are rather difficult, numerical investigation can be conducted in order to reveal the mechanisms of material removal during nanogrinding. In the present study, a Molecular Dynamics model with multiple abrasive grains is developed in order to determine the effect of spacing between the adjacent rows of abrasive grains and the effect of the rake angle of the abrasive grains on the grinding forces and temperatures, ground surface, and chip formation and also, subsurface damage of the substrate. Findings indicate that nanogrinding with abrasive grains situated in adjacent rows with spacing of 1 Å leads directly to a flat surface and the amount of material remaining between the rows of grains remains minimal for spacing values up to 5 Å. Moreover, higher negative rake angle of the grains leads to higher grinding forces and friction coefficient values over 1.0 for angles larger than −40°. At the same time, chip formation is suppressed and plastic deformation increases with larger negative rake angles, due to higher compressive action of the abrasive grains.

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Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Study of the Effect of Abrasive Grains Orientation and Spacing during Nanogrinding

Karkalos

Markopoulos

2020

Micromachines

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“…This is in contrast to previous simulations which have taken the cutting tool to be a rigid body, a reasonable assumption if the focus of interest is the mechanism of nanometric cutting rather than the tool wear. [41][42][43] The model developed in this work is based on the boundary condition of bottom and closed cut out side which was found more appropriate to study nanometric cutting process. 44 Also, the MD model incorporates a negative tool rake angle, as this is generally recommended for machining brittle materials.…”

Section: Simulation Modelmentioning

confidence: 99%

A quantitative assessment of nanometric machinability of major polytypes of single crystal silicon carbide

Luo

Goel

Reuben

2012

Journal of the European Ceramic Society

152

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This version is available at https://strathprints.strath.ac.uk/44793/ Strathprints is designed to allow users to access the research output of the University of Strathclyde. Unless otherwise explicitly stated on the manuscript, Copyright © and Moral Rights for the papers on this site are retained by the individual authors and/or other copyright owners. Please check the manuscript for details of any other licences that may have been applied. You may not engage in further distribution of the material for any profitmaking activities or any commercial gain. You may freely distribute both the url (https://strathprints.strath.ac.uk/) and the content of this paper for research or private study, educational, or not-for-profit purposes without prior permission or charge.Any correspondence concerning this service should be sent to the Strathprints administrator: strathprints@strath.ac.ukThe Strathprints institutional repository (https://strathprints.strath.ac.uk) is a digital archive of University of Strathclyde research outputs. It has been developed to disseminate open access research outputs, expose data about those outputs, and enable the management and persistent access to Strathclyde's intellectual output. AbstractThe influence of polymorphism on nanometric machinability of single crystal silicon carbide (SiC) has been investigated through molecular dynamics (MD) simulation. The simulation results are compared with silicon as a reference material. Cutting hardness was adopted as a quantifier of the machinability of the polytypes of single crystal SiC. 3C-SiC offered highest cutting resistance (∼2.9 times that of silicon) followed by the 4H-SiC (∼2.8 times that of silicon) whereas 6H-SiC (∼2.1 times that of silicon) showed the least. Despite its high cutting resistance, 4H-SiC showed the minimum sub-surface crystal lattice deformed layer depth, in contrast to 6H-SiC. Further analysis of temperatures in the cutting zone and the percentage tool wear indicated that single point diamond turning (SPDT) of single crystal SiC could be limited to either 6H-SiC or 4H-SiC depending upon quality and cost considerations as these were found to be more responsive and amenable to SPDT compared to single crystal 3C-SiC.

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“…Both the single-crystal silicon workpiece and the diamond cutting tool were modelled as deformable bodies in order to study the tribological interactions between the two. This is in contrast to previous simulations which have assumed the cutting tool to be a rigid body, a reasonable assumption if the focus of interest is the mechanism of nanometric cutting rather than the tool wear [17,26,27]. In the simulation model shown in Fig.…”

Section: Simulation Modelmentioning

confidence: 91%

Influence of temperature and crystal orientation on tool wear during single point diamond turning of silicon

Goel

Luo

Reuben

et al. 2012

Wear

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Owing to the capricious wear of cutting tools, ultra precision manufacturing of silicon through single point diamond turning (SPDT) operation becomes a challenging task. It thus becomes non-trivial to understand the contribution of temperature and crystal orientation during the SPDT process in order to suppress tool wear. Molecular dynamics (MD) simulation is an appropriate tool to study nanoscale processes occurring at the femtosecond/picosecond timescale which cannot otherwise be studied experimentally or by the finite element method (FEM). Accordingly, MD simulation has been deployed with a realistic analytical bond order potential (ABOP) formalism based potential energy function to simulate the single point diamond turning operation of single crystal silicon in order to understand the influence of temperature and crystal orientation on the tool wear mechanism. Results showed the strong influence of crystal orientation on the wear resistance of a diamond tool; cubic orientation performed better than dodecahedral orientation. It was also observed that high pressure phase transformation (HPPT) in the cutting zone was accompanied by the formation of dangling bonds of silicon. Under the influence of cutting temperature, the newly formed dangling bonds of silicon chemically combine with the pre-existing dangling bonds on the surface of the diamond tool resulting in the formation of silicon carbide (SiC), the main appearance of which was evident at the tool flank face. Continuous abrasion of the diamond cutting tool with SiC causes sp3–sp2 disorder of the diamond tool. Hence, both these processes proceed in tandem with each other. The mechanism proposed here is in good agreement with a recent experimental study, where silicon carbide and carbon like particles were observed using X-ray photoelectron spectroscope (XPS) technology after machining a silicon wafer with a diamond tool

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Molecular Dynamics Simulation of Nanometric Cutting

Cited by 15 publications

References 19 publications

Molecular Dynamics Study of the Effect of Abrasive Grains Orientation and Spacing during Nanogrinding

Molecular Dynamics Study of the Effect of Abrasive Grains Orientation and Spacing during Nanogrinding

A quantitative assessment of nanometric machinability of major polytypes of single crystal silicon carbide

Influence of temperature and crystal orientation on tool wear during single point diamond turning of silicon

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