Molecular dynamics study on the mechanism of AFM-based nanoscratching process with water-layer lubrication

Ren, Jiaqi; Zhao, Jinsheng; Dong, Zeguang; Liu, Pinkuan

doi:10.1016/j.apsusc.2015.03.177

Cited by 56 publications

(28 citation statements)

References 52 publications

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“…These results are in well agreement with the dry nanoscratching process as shown in Fig. S2(c) (in the ESM) as well as the AFM-based nanoscratching process with water-layer lubrication [17]. Based on the distribution of the surface Cu atoms shown in yellow color in the cross-sectional views, the bottom of the groove exhibits obvious atomic steps and the ridge is non-uniform in height.…”

Section: Resultssupporting

confidence: 88%

“…The rigid TIP4P interaction model [24,25] is used for the condensed water film. The Cu-O and C-O interactions are defined by the Lennard-Jones potential, and the Lorentz-Berthelot mixing rules [17,26] are used to generate the relevant parameters as listed in Table S1 (in the ESM). In addition, the interactions of the H atoms in the water molecules with other types of atoms are also not considered because they are intra-molecular long-ranged electrostatics and have a very weak impact on the results [17].…”

Section: Simulation Methodologymentioning

confidence: 99%

“…Although the study was focused on the synthetic function of the chemical and mechanical actions, its results can assist in this research to understand the friction and wear behavior of the waterlubricated surface. Ren et al simulated an atomic force microscope (AFM)-based nanoscratching process with a water-layer lubrication by molecular dynamics (MD), and the results indicated that the water layer had a positive impact on the surface quality and a significant effect on the scratching forces (normal forces and tangential forces) [17]. We have investigated the effect of the water film thickness on the nanoscratch behavior in our previous work, and the results indicated that the removal efficiency of the surface atoms decreased with the water film thickness at a large scratching depth [18].…”

Section: Introductionmentioning

confidence: 99%

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Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study

et al. 2019

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The surface planarity and asperity removal behavior on atomic scale in an ultrathin water environment were studied for a nanoscale process by molecular dynamics simulation. Monolayer atomic removal is achieved under both noncontact and monoatomic layer contact conditions with different water film thicknesses. The newly formed surface is relatively smooth without deformed layers, and no plastic defects are present in the subsurface. The nanoscale processing is governed by the interatomic adhering action during which the water film transmits the loading forces to the Cu surface and thereby results in the migration and removal of the surface atoms. When the scratching depth ≥ 0.5 nm, the abrasive particle squeezes out the water film from the scratching region and scratches the Cu surface directly. This leads to the formation of trenches and ridges, accumulation of chips ahead of the particles, and generation of dislocations within the Cu substrate. This process is mainly governed by the plowing action, leading to the deterioration of the surface quality. This study makes the "0 nm planarity, 0 residual defects, and 0 polishing pressure" in a nanoscale process more achievable and is helpful in understanding the nanoscale removal of materials for developing an ultra-precision manufacture technology.

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Section: Resultssupporting

confidence: 88%

Section: Simulation Methodologymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study

et al. 2019

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“…Hence, the friction force increased significantly and even became larger than the normal force in Figure 5e,f. Similar results have already been reported by others [47]. [45].…”

Section: Movement Pattern Of Abrasive Particlesupporting

confidence: 82%

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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“…However, cooling and lubrication play a decesive role in machining and have a huge impact on the process and process results [8,9]. There are only a few molecular dynamics studies which consider the effect of lubricants on nanometric machining [1,[10][11][12][13][14]. Each of them focusses on the description of a certain substrate-fluid pair and usually no special attention is given to the influence of the substrate-fluid interaction, even though that interaction plays a predominant role in such processes [15,16].…”

Section: Introductionmentioning

confidence: 99%

Effects of Lubrication on the Friction in Nanometric Machining Processes: A Molecular Dynamics Approach

Lautenschlaeger

Stephan

Urbassek

et al. 2017

AMM

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Abstract. Physical phenomena in a nanometric machining process were studied by molecular dynamics simulations. A cylindrical tool was indented and then moved laterally on an initially flat workpiece. The focus of the study is on the effect of lubrication on the nanoscale. Therefore, the indentation and the scratching were studied both in vacuum and submersed in a lubricant. All materials were modeled by Lennard-Jones truncated and shifted potential sites. It is observed, that in the lubricated case, a substantial part of the cutting edge of the tool is in dry contact with the workpiece. Nevertheless, compared to the dry scenario, the lubrication lowers the coefficient of friction. However, the work which is needed for the indentation and the scratching is not reduced. The processed surface is found to be smoother in the lubricated case. As expected, the lubrication has an important influence on the temperature field observed in the simulation.

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Molecular dynamics study on the mechanism of AFM-based nanoscratching process with water-layer lubrication

Cited by 56 publications

References 52 publications

Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study

Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study

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

Effects of Lubrication on the Friction in Nanometric Machining Processes: A Molecular Dynamics Approach

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