Molecular dynamics research on ultra-high-speed grinding mechanism of monocrystalline nickel

Ren, Jie; Hao, MingRui; Liu, Ming; Wang, Shiying; Zhu, Baoyi

doi:10.1016/j.apsusc.2018.06.042

Cited by 60 publications

(22 citation statements)

References 23 publications

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“…This approach will continue to play an important role in understanding different mineralogical systems. Future applications in wet grinding can help to better understand and improve this operation as, currently, it is used in nanoscale grinding [14,15]. The development of experimental methods from computational modeling can be an appropriate route for future research in this field.…”

Section: Interaction Of Clay Minerals Water and Interlayer Structuresmentioning

confidence: 99%

Trends in Modeling, Design, and Optimization of Multiphase Systems in Minerals Processing

2019

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Multiphase systems are important in minerals processing, and usually include solid–solid and solid–fluid systems, such as in wet grinding, flotation, dewatering, and magnetic separation, among several other unit operations. In this paper, the current trends in the process system engineering tasks of modeling, design, and optimization in multiphase systems, are analyzed. Different scales of size and time are included, and therefore, the analysis includes modeling at the molecular level (molecular dynamic modeling) and unit operation level (e.g., computational fluid dynamic, CFD), and the application of optimization for the design of a plant. New strategies for the modeling, design, and optimization of multiphase systems are also included, with a strong focus on the application of artificial intelligence (AI) and the combination of experimentation and modeling with response surface methodology (RSM). The integration of different modeling techniques such as CFD with discrete element simulation (DEM) and response surface methodology (RSM) with artificial neural networks (ANN) is included. The paper finishes with tools to study the uncertainty, both epistemic and stochastic, based on uncertainty and global sensitivity analyses, which is present in all mineral processing operations. It is shown that all of these areas are very active and can help in the understanding, operation, design, and optimization of mineral processing that involves multiphase systems. Future needs, such as meso-scale modeling, are highlighted.

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Section: Interaction Of Clay Minerals Water and Interlayer Structuresmentioning

confidence: 99%

Trends in Modeling, Design, and Optimization of Multiphase Systems in Minerals Processing

2019

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“…It was found that as the depth increased, although the region of transition between compressive and tensile residual stress remained almost the same, an increase of the compressive stresses near the surface was observed. Ren et al [ 17 ] performed simulations regarding nanogrinding of monocrystalline nickel under various process conditions. Based on their findings, they observed an increase of cutting forces, potential, and temperature values with increased depth of cut and grinding speed values.…”

Section: Introductionmentioning

confidence: 99%

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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“…In addition to the experimental studies, molecular dynamics (MD) simulation is widely used for the investigation of nucleation and the development of plastic deformation in materials subjected to scratch testing. In particular, defect-free single crystals with face-centered cubic (FCC ) [20][21][22] and BCC [23,24] crystal lattices were the focus of MD simulation of scratching. Alhafez et al [25] used MD simulation to study the defect generation and plasticity in HCP crystals, with the basal and prismatic planes as the surfaces subjected to scratching by a hard tip.…”

Section: Introductionmentioning

confidence: 99%

Recovery of Scratch Grooves in Ti-6Al-4V Alloy Caused by Reversible Phase Transformations

Шугуров

Панин

Дмитриев

et al. 2020

Metals

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The deformation behaviors of Ti-6Al-4V alloy samples with lamellar and bimodal microstructures under scratch testing were studied experimentally and using molecular dynamics simulation. It was found that the scratch depth in the sample with a bimodal microstructure was twice as shallow as that measured in the sample with a lamellar microstructure. This effect is attributed to the higher hardness of the sample with a bimodal microstructure and the larger amount of elastic recovery of scratch grooves in this sample. On the basis of the results of molecular dynamics simulation, a mechanism was proposed, which associates the recovery of the scratch grooves with the inhomogeneous vanadium distribution in the β-areas. The calculations showed that at a vanadium content typical for Ti-6Al-4V alloy, both the body-centered cubic (BCC) and hexagonal close-packed (HCP) structures can be more energetically favorable depending on the atomic volume. Therefore, compressive or tensile stresses induced by the indenter could facilitate β→α and α→β phase transformations, respectively, in the vanadium-depleted domains of the β-areas, which contribute to the recovery of the Ti-6Al-4V alloy subjected to scratching.

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Molecular dynamics research on ultra-high-speed grinding mechanism of monocrystalline nickel

Cited by 60 publications

References 23 publications

Trends in Modeling, Design, and Optimization of Multiphase Systems in Minerals Processing

Trends in Modeling, Design, and Optimization of Multiphase Systems in Minerals Processing

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

Recovery of Scratch Grooves in Ti-6Al-4V Alloy Caused by Reversible Phase Transformations

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