Influence of Molecular Characteristics of a Substance on Detonation Phenomena |
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| Authors: | V. M. Fomin I. F. Golovnev A. V. Utkin |
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| Affiliation: | (1) Institute of Theoretical and Applied Mechanics, Russian Academy of Science, 4/1 Institutskaya street, Novosibirsk, 630090, Russia |
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| Abstract: | In the present study, the molecular-dynamics method has been used to examine the influence of the thermal effect of the chemical reaction on processes in a detonating molecular crystal (propagation velocity and structure of the detonation wave, delay time of the chemical reaction, and energy macrocharacteristics of the crystal in the disturbed region). Molecular-dynamics data are compared with predictions of the continuum theory of detonation; in particular, fulfillment of the Chapman–Jouguet condition is verified. |
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| Keywords: | Molecular dynamics Detonation Chemical reaction Mesoscale analysis |
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