Sintering and deposition of homo- and heteronanoparticles of aluminum and nickel on aluminum (100) substrate

koraychy, E. El; Meddad, Mounir; Badawi, Michaël; Mazroui, M.

doi:10.1016/j.chemphys.2020.111037

Cited by 8 publications

(3 citation statements)

References 62 publications

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“… 7 Much work has been devoted to exploring the sintering of metal nanoparticles by molecular dynamics (MD) simulations. 8 − 13 Koraychy et al studied the coalescence and surface deposition process of two Al and Ni nanoparticles. 8 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: 99%

“… 8 − 13 Koraychy et al studied the coalescence and surface deposition process of two Al and Ni nanoparticles. 8 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. Song and Wen studied two different sizes of nickel nanoparticles through MD simulations 12 and found that the sintering of two different sizes of nanoparticles occurred in three stages closely related to surface melting.…”

Section: Introductionmentioning

confidence: 99%

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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: 99%

Section: Introductionmentioning

confidence: 99%

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

Chu,

Wang,

Liu

et al. 2023

ACS Omega

View full text Add to dashboard Cite

show abstract

“…Alavi uses MD simulation to predict the melting points of ANPs and the simulation results are agreement with the experimental results [8] . Much work has been devoted to exploring the sintering of metal nanoparticles by molecular dynamics (MD) simulation [9][10][11][12][13][14][15] . Song et al studied two different sizes of nickel nanoparticles through MD simulation [16] , and found that the sintering of two different sizes of nanoparticles occurred in three stages closely related to surface melting.…”

Section: Introductionmentioning

confidence: 99%

Combustion of Al nanoparticles coated with NC/ethanol/ether molecules by equilibrium molecular dynamics simulations

Jin

Wang

Liu

et al. 2022

Preprint

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Al nano-particle (ANP) have high reactivity, but they are easily inactivated by external oxidants. To improve its surface property, we coat ANPs with nitrocellulose (NC)/ethanol/ether solution. And MD simulation method is used to simulate the coating, ignition and combustion processes of ANPs under three different coating conditions. Our results show that the NC/ethanol/ether formed a dense coating layer on the surface of annealed ANPs and passivated ANPs through physical and chemical adsorption. The coating layer can block the contact between the active Al atoms and O2 molecules at low temperature. In ignition phase, NC/ethanol/ether coating layer can increase the density of O2 molecules around ANPs and the surface temperature of ANPs. At the same time, due to the desorption and diffusion of the coating layer exposed more reaction sites, ANPs have shorter ignition delay and lower ignition temperature. According to the change of atomic displacement, the combustion stage can be divided into three stages. The NC molecules can increase the combustion propagation speed, combustion time and efficiency of ANPs. Such improvement will enable ANPs to obtain better storage performance, combustion performance and play a stronger role in the field of energetic materials.

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Static investigation of the small clusters on the Cu(111) and Au(111) surfaces

Kotri

Belkassmi

Elkoraychy

et al. 2021

Chinese Journal of Physics

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Sintering and deposition of homo- and heteronanoparticles of aluminum and nickel on aluminum (100) substrate

Cited by 8 publications

References 62 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

Combustion of Al nanoparticles coated with NC/ethanol/ether molecules by equilibrium molecular dynamics simulations

Static investigation of the small clusters on the Cu(111) and Au(111) surfaces

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