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EN
Al-CuO is a thermite material exhibiting the exothermic reaction only when aluminum melts. For wide spread of its applica-tion, the reaction temperature needs to be reduced in addition to the enhancement of total reaction energy. In the present study, a thermite nanocomposite with a large contact area between Al and CuO was fabricated in order to lower the exothermic reaction temperature and to improve the reactivity. A cryomilling process was performed to achieve the nanostructure, and the effect of composition on the microstructure and its reactivity was studied in detail. The microstructure was characterized using SEM and XRD, and the thermal property was analyzed using DSC. The results show that as the molar ratio between Al and CuO varies, the fraction of uniform nanocomposite structure was changed affecting the exothermic reaction characteristics.
EN
As part of a series of studies evaluating the thermodynamic properties of new potential high energy materials, a series of calculations was performed on a variety of naphthalene molecules having amino and nitro groups. Calculations on seven aminonitronaphthalene molecules were performed, determining their minimum-energy geometries, vibrational frequencies, and energies. Enthalpies of formation were determined using atomization reactions, and subsequently enthalpies of combustion or decomposition were determined. Specific enthalpies of decomposition ranged from 4.1-4.8 kJ/g, while specific enthalpies of combustion ranged more widely, from 13 to almost 21 kJ/g. Some detonation properties of some of the derivatives rival those of current HEDMs.
EN
Nitro and amine groups were introduced into the cyclopentane skeleton, and the heats of formation, detonation performance, bond dissociation energies, and impact sensitivity for these aminonitrocyclopentanes were calculated in detail at the B3LYP/6-311G** level. The results show that all of the derivatives have negative heats of formation, which are influenced by the position of the substituent groups. Their stabilities were estimated and analyzed according to their bond dissociation energies and calculated characteristic H50 values. Most of the compounds were found to have a lower impact sensitivity than HMX. Furthermore, the detonation velocities and detonation pressures were predicted via the Kamlet-Jacobs equation. Of all these aminonitrocyclopentanes, E has the best detonation properties (ρ = 2.05 g/cm3, D = 9.11 m/s, P = 39.62 GPa) and can be considered as a candidate high energy density material.
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