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- W2319117604 abstract "The fastest self-sustained chemical reactions in nature occur during detonation of energetic materials where reactions are thought to occur on nanosecond or longer time scales in carbon-containing materials. Here we perform the first atomistic simulation of an azide energetic material, ${mathrm{HN}}_{3}$, from the beginning to the end of the chemical evolution and find that the time scale for complete decomposition is a mere 10 ps, orders of magnitude shorter than that of secondary explosives and approaching the fundamental limiting time scale for chemistry; i.e., vibrational time scale. We study several consequences of the short time scale including a state of vibrational disequilibrium induced by the fast transformations." @default.
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- W2319117604 date "2012-07-17" @default.
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- W2319117604 title "Ultrafast Detonation of Hydrazoic Acid (<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>HN</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>)" @default.
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- W2319117604 doi "https://doi.org/10.1103/physrevlett.109.038301" @default.
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