Study of nickel-coated aluminum nanoparticles using molecular dynamic simulations and thermodynamic modeling

Singh, Mohit Kumar; Naspoori, Srujan K.; Arghode, Vaibhav K.; Kumar, Rakesh

doi:10.1007/s11051-020-04979-4

Cited by 2 publications

(2 citation statements)

References 20 publications

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“…Therefore, the thermal properties of the carbon-coated Al nanopowders were not well-protected. For DOS-coated Al nanopowders, organic DOS molecules are directly deposited on the surface of Al nanoparticles through the adsorption effect rather than being bonded through functional groups (such as COOH- [13,14] and OH- [22,29]). The organic DOS anchored on the surface of Al nanoparticles is hydrophobic, so the hydrophobic DOS coating as an effective "barrier" to hydrolysis can effectively restrain the adsorption of water molecules in humid atmospheres.…”

Section: Resultsmentioning

confidence: 99%

“…A strategy developed to protect the thermal properties of Al nanopowders from humidity aging is to encapsulate Al nanoparticles by using non-oxide coating materials. Some non-oxide protective coatings were proposed to solve this problem, such as aluminum diboride (AlB 2 ) coatings [11], transition metal coatings [12], nickel coatings [13], perfluoroalkyl carboxylic acid coatings [14], stearic acid coatings [15], carboxylic acid coatings [16], glycidyl azide polymer coatings [17], aluminum iodate hexahydrate coatings [18], acetylacetone coatings [19], polydopamine coatings [20], perfluoroalkyl acid coatings [21], hydroxyl-terminated polybutadiene coatings [22], carbon nanotubes coatings [23], oleic acid coatings [24], perfluorinated oligomer coatings [25], perfluoroalkylsilane coatings [26], and tetraamine copper nitrate coatings [27]. These inorganic and organic coatings protected the Al nanopowders against oxidation, but durable protection from humidity aging is difficult to achieve.…”

Section: Introductionmentioning

confidence: 99%

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Effect of Humidity on the Thermal Properties of Aluminum Nanopowders with Different Surface Coatings

Guo

Li²,

Song³

et al. 2022

Coatings

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To investigate the effect of surface coating materials on the humidity stability of aluminum (Al) nanopowders, three kinds of core–shell structure Al nanopowders with an Al2O3 passivation coating, carbon coating, and plasticizer dioctyl sebacate (DOS) coating were prepared through laser-induction complex heating method. After one year’s storage at 95% relative humidity, their thermal properties were tested through differential scanning calorimeter (DSC) and thermal gravimeter (TG) analysis. The results show that the thermal properties of Al2O3-passivated Al nanopowders are entirely lost under high humidity because the Al2O3 passivation coating is very sensitive to moisture. The thermal properties of carbon-coated Al nanopowders are not well-protected under a high humidity due to the uneven thickness and structural defects of carbon coatings. However, the thermal enthalpy of DOS-coated Al nanopowders remains at 3.56 KJ/g under high humidity, which indicates that an organic DOS coating with a hydrophobic nature has an excellent protective effect on the thermal properties of the Al nanopowders. Given the good forming performance of organic DOS coatings and other components of propellants, DOS-coated Al nanopowders are a kind of energetic material with potential application value.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Effect of Humidity on the Thermal Properties of Aluminum Nanopowders with Different Surface Coatings

Guo

Li²,

Song³

et al. 2022

Coatings

View full text Add to dashboard Cite

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Molecular dynamic simulations of adiabatic self-reaction in Al@Ni core-shell nanoparticles

Chen,

Yuan,

Cao

et al. 2024

J. Phys.: Conf. Ser.

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Al@Ni core-shell nanoparticles are attracting significant attentions for using as a promising material. In this paper, the self-reaction thermochemical behavior of Al@Ni nanoparticles was studied by molecular-dynamics (MD) simulations to characterize the final reaction temperature and self-heating rate. The analysis was carried out in canonical-constant temperature (NVT) and microcanonical-constant energy (NVE) ensembles using an embedded atom method. The ignition temperature was in the range of 700 K ∼ 1300 K, the core-shell thickness ratio of 1:1 ∼ 7:1 and the nanoparticle radius of 2 nm ∼ 8 nm were considered. When the ignition temperature was 1100 K, the nanoparticle radius was 8 nm, the core-shell thickness ratio was 3:1, the final reaction temperature was highest of 1955 K. As the ignition temperature was 1100 K, the nanoparticle radius was 4 nm, the core-shell thickness ratio was 3:1, the self-heating rate was highest of 3.04×1012K/s. These results obtained from the MD simulations of Al@Ni nanoparticles are helpful to understand the energy release mechanism.

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Study of nickel-coated aluminum nanoparticles using molecular dynamic simulations and thermodynamic modeling

Cited by 2 publications

References 20 publications

Effect of Humidity on the Thermal Properties of Aluminum Nanopowders with Different Surface Coatings

Effect of Humidity on the Thermal Properties of Aluminum Nanopowders with Different Surface Coatings

Molecular dynamic simulations of adiabatic self-reaction in Al@Ni core-shell nanoparticles

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