Molecular dynamics simulation of coalescence kinetics and neck growth in laser additive manufacturing of aluminum alloy nanoparticles

Nandy, Jyotirmoy; Sahoo, S.; Yedla, Natraj; Sarangi, Hrushikesh

doi:10.1007/s00894-020-04395-4

Cited by 25 publications

(4 citation statements)

References 42 publications

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“…Alavi used MD simulations to predict the melting points of ANPs, and the simulation results were in agreement with the experimental results . Much work has been devoted to exploring the sintering of metal nanoparticles by molecular dynamics (MD) simulations. − Koraychy et al studied the coalescence and surface deposition process of two Al and Ni nanoparticles . They found that the degree of coalescence and deposition was strongly temperature dependent, and the deposition rate increases with the temperature, while the sintering and deposition of heteronanoparticles are more significant at lower temperatures than melting.…”

Section: Introductionmentioning

confidence: 76%

Combustion of Al Nanoparticles Coated with Nitrocellulose/Ethanol/Ether Molecules by Equilibrium Molecular Dynamics Simulations

Chu,

Wang,

Liu

et al. 2023

ACS Omega

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Al nanoparticles (ANPs) have high reactivity, but they are easily inactivated by external oxidants. To improve their surface properties, we coat ANPs with a nitrocellulose (NC)/ethanol/ether solution. Comparative discussions are raised from the coating to the combustion process. Our results show that NC/ethanol/ether forms a dense coating layer on the surface of annealed ANPs and passivates ANPs through physical and chemical adsorption. The coating layer can block the contact between the active Al atoms and O 2 molecules at low temperatures. In the ignition phase, the NC/ethanol/ether coating layer can increase the density of the O 2 molecules around the ANPs and the surface temperature of ANPs. At the end of the ignition phase, the number of O atoms adsorbed on the surface of NC/ethanol/ether coating-passivated ANPs (csANPs) and NC/ethanol/ether coating-annealed ANPs (cANPs) increased by about 60 and 50%, respectively, compared with passivated ANPs (sANPs). Since the desorption and diffusion of the coating layer will expose more reaction sites, ANPs have a shorter ignition delay and a lower ignition temperature. According to the change in atomic displacement, the combustion stage can be divided into three stages: surface oxidation/core melting diffusion, combustion inward propagation, and uniform combustion. The decomposition of NC molecules can increase the combustion speed, combustion time, and efficiency of ANPs. Such improvement will enable ANPs to obtain better storage and combustion performance and play a stronger role in the field of energetic materials.

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Section: Introductionmentioning

confidence: 76%

Combustion of Al Nanoparticles Coated with Nitrocellulose/Ethanol/Ether Molecules by Equilibrium Molecular Dynamics Simulations

Chu,

Wang,

Liu

et al. 2023

ACS Omega

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“…In the thermally annealed thin film at 550 °C (Figure g), adjacent NPs agglomerate due to neck growth, , resulting in a 2D nanosheet morphology. It has been reported that when the size of synthesized oxide NPs exceeds the critical size ( L c ), 2D nanosheets are often formed .…”

Section: Resultsmentioning

confidence: 99%

Highly Reliable 3D Channel Memory and Its Application in a Neuromorphic Sensory System for Hand Gesture Recognition

Kim,

Lee,

Park

et al. 2023

ACS Nano

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“…MD simulations can be used to model complex atomic interactions, such as the behavior of non-equilibrium melt pool physics and solidification processes in AM parts [150]. More specific investigations are possible, such as the melting behaviors of nano particulates and studies of particle shape [151,152]. MD simulations are utilized to understand the formation of defects, high-angle grain boundaries, or thermal stresses as functions of instrument parameters.…”

Section: And Modeling Of Am-prepared Materialsmentioning

confidence: 99%

Progress and Challenges of Additive Manufacturing of Tungsten and Alloys as Plasma-Facing Materials

Howard,

Parker,

2024

Materials

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Tungsten (W) and W alloys are considered as primary candidates for plasma-facing components (PFCs) that must perform in severe environments in terms of temperature, neutron fluxes, plasma effects, and irradiation bombardment. These materials are notoriously difficult to produce using additive manufacturing (AM) methods due to issues inherent to these techniques. The progress on applying AM techniques to W-based PFC applications is reviewed and the technical issues in selected manufacturing methods are discussed in this review. Specifically, we focus on the recent development and applications of laser powder bed fusion (LPBF), electron beam melting (EBM), and direct energy deposition (DED) in W materials due to their abilities to preserve the properties of W as potential PFCs. Additionally, the existing literature on irradiation effects on W and W alloys is surveyed, with possible solutions to those issues therein addressed. Finally, the gaps in possible future research on additively manufactured W are identified and outlined.

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Molecular dynamics simulation of coalescence kinetics and neck growth in laser additive manufacturing of aluminum alloy nanoparticles

Cited by 25 publications

References 42 publications

Combustion of Al Nanoparticles Coated with Nitrocellulose/Ethanol/Ether Molecules by Equilibrium Molecular Dynamics Simulations

Combustion of Al Nanoparticles Coated with Nitrocellulose/Ethanol/Ether Molecules by Equilibrium Molecular Dynamics Simulations

Highly Reliable 3D Channel Memory and Its Application in a Neuromorphic Sensory System for Hand Gesture Recognition

Progress and Challenges of Additive Manufacturing of Tungsten and Alloys as Plasma-Facing Materials

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