Abstract
Computer modeling is used within the framework of the theory of density functional to determine the physical and chemical properties of a set of energy materials, which correlate with detonation parameters and sensitivity factors. There are two models of prediction of detonation parameters and sensitivity factors formulated for molecules and explosive crystals that satisfactorily correlate with the experimental data.
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Original Russian Text © T.L. Prazyan, Yu.N. Zhuravlev.
Published in Fizika Goreniya i Vzryva, Vol. 53, No. 6, pp. 110–115, November–December, 2017.
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Prazyan, T.L., Zhuravlev, Y.N. Computer simulation of the structure and electronic and detonation properties of energy materials. Combust Explos Shock Waves 53, 718–723 (2017). https://doi.org/10.1134/S0010508217060132
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DOI: https://doi.org/10.1134/S0010508217060132