Molecular dynamics simulation study of cold spray process

Joshi, Aneesh; James, Sagil

doi:10.1016/j.jmapro.2018.05.005

Cited by 40 publications

(16 citation statements)

References 17 publications

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“…Also, there is a similarity between the results of the MD simulation and the findings of Ghelichi et al on the numerical analysis for the cold spray Cu/Cu coating process [55]. The estimates of MD simulation of the time variance of the plastic strain during the cold spray process are consistent with the results of the Grujicic et al [56] and Joshi et al [27] FE simulation research. In both analyses, the strains for initial velocities greater than critical velocity are unexpectedly subjected to high shear strain-rate deformation and material softening.…”

Section: Comparison With Previous Experimental and Numerical Resultssupporting

confidence: 82%

“…Their study examined about 2000 atoms for the analysis. The effects of spray parameters on small clusters of up to 400 atoms as model systems were studied by Joshi and James and it was demonstrated that particles seemed to rebound out of the substrate at impact angles exceeding 90 degrees [24,27,28]. Daneshian and Assadi [29] modelled on the interatomic impact of constitutively ductile nanomaterials and identified the particle size effect and speed of impact in the fragmentation, deformation, and rebounding of ductile particles.…”

Section: Introductionmentioning

confidence: 99%

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Development of palladium nanoparticles deposition on a copper substrate using a molecular dynamic (MD) simulation: a cold gas dynamic spray process

et al. 2020

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The objective of this study is to create an ultra-thin palladium foil with a molecular dynamic (MD) simulation technique on a copper substrate surface. The layer formed onto the surface consists of a singular 3D palladium (Pd) nanoparticle structure which, by the cold gas dynamic spray (CGDS) technique, is especially incorporated into the low-cost copper substrate. Pd and Cu have been chosen for their possible hydrogen separation technology applications. The nanoparticles were deposited to the substrate surface with an initial velocity ranging from 500 to 1500 m/s. The particle radius was 1 to 4 nm and an angle of impact of 90° at room temperature of 300 K, in order to evaluate changes in the conduct of deformation caused by effects of size. The deformation mechanisms study revealed that the particle and substrate interface is subject to the interfacial jet formation and adiabatic softening resulting in a uniform layering. However, shear instabilities at high impact speeds were confirmed by the evolution of von Mises shear strain, temperature evolution and plastic strain. The results of this study can be used to further our existing knowledge in the complex spraying processes of cold gas dynamic spray technology.

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Section: Comparison With Previous Experimental and Numerical Resultssupporting

confidence: 82%

Section: Introductionmentioning

confidence: 99%

Development of palladium nanoparticles deposition on a copper substrate using a molecular dynamic (MD) simulation: a cold gas dynamic spray process

et al. 2020

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“…While many studies have focused on the mass transfer behavior in the laser fabrication process, most of these have been carried out at the mesoscopic or macro level, usually at the millimeter length scale, and have been hampered by the limitations of the finite element method [11][12][13][14][15]. By contrast, molecular dynamics (MD) simulations can simulate the behavior of materials at the atomic scale, and the calculation method has greater physical meaning and is more accurate than the finite element method, providing a more microscopic understanding of the dynamic processes under study [16][17][18][19][20][21][22][23][24][25][26]. In the MD studies of laser melting, Tan et al [27] established an Fe-Al double-layer powder model using LAMMPS (Large-scale Atomic Molecular Massively Parallel Simulator) and simulated the movement of the solute atoms during the selective laser melting (SLM) process.…”

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Mechanism Investigation of Mass Transfer in Laser Fabrication Process of Ti-Al Alloy via Molecular Dynamics Simulation

Cui

Zhou

Meng

2020

Metals

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This article deals with a Ti-Al alloy system. Molecular dynamics simulation was used to simulate and explore the mass transfer behavior during the laser fabrication process at atomic scale. The research goal is to investigate the mass transfer mechanism at atomic scale and the movement of solute atoms during the laser fabrication process. The mean square displacement (MSD), radial distribution function (RDF), atomic number density, and atomic displacement vector were calculated to characterize it. The results show that the TiAl alloy is completely melted when heated up to 2400 K, and increasing the temperature past 2400 K has little effect on mass transfer. As the heating time increases, the diffusion coefficient gradually decreases, the diffusion weakens, and the mass transfer process gradually stabilizes. In Ti-Al binary alloys, the diffusion coefficients of different solute atoms are related to the atomic fraction. During the melting process, the alloy particle system has a greater diffusion coefficient than the elemental particle system.

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“…Numerical simulations can be used to quantitatively examine the unevenness of a coating fluid at the microsecond (µs) scale, which is otherwise difficult through experiments. Despite the potential advantages of numerical simulation, it has been thus far performed only on simple surfaces, coated using the spray method [34,35].…”

Section: Introductionmentioning

confidence: 99%

Unevenness of Thin Liquid Layer by Contact Angle Variation of Substrate during Coating Process

Kim

Kang

2019

Coatings

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During a thin film application, the surface of the coating liquid applied to the substrate becomes uneven because of the geometry of the substrate, viscosity of the coating liquid, surface tension, and its contact angle with the substrate. The surface is particularly uneven at the edge corner portion of the substrate and is thicker than the average coating thickness. This study used the volume-of-fluid (VOF) method to examine the surface unevenness of the coating liquid in terms of the contact angle of the substrate surface and sides. After the coating liquid was evenly applied to the substrate, the maximum height of the uneven region of the coating liquid at the edge of the substrate increased as time passed. The point of maximum height moved away from the edge corner portion of the substrate. The coating liquid applied to the substrate with a contact angle less than 90° exhibited a pinning effect in which the contact point was fixed at the edge. The surface unevenness was more pronounced in the absence of the pinning effect than in its presence, due to the effects of the viscosity of the coating fluid and the surface energy of the substrate.

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Molecular dynamics simulation study of cold spray process

Cited by 40 publications

References 17 publications

Development of palladium nanoparticles deposition on a copper substrate using a molecular dynamic (MD) simulation: a cold gas dynamic spray process

Development of palladium nanoparticles deposition on a copper substrate using a molecular dynamic (MD) simulation: a cold gas dynamic spray process

Atomic-Scale Mechanism Investigation of Mass Transfer in Laser Fabrication Process of Ti-Al Alloy via Molecular Dynamics Simulation

Unevenness of Thin Liquid Layer by Contact Angle Variation of Substrate during Coating Process

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