Am-Shallem, Morag and Zeiri, Yehuda and Zybin, Sergey V. and Kosloff, Ronnie (2011) Molecular dynamics simulations of weak detonations. Physical Review E, 84 (6). Art. No. 061122. ISSN 1539-3755 http://resolver.caltech.edu/CaltechAUTHORS:20120123-111341363
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Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular dynamics simulations. The detonation process is initiated by an impulse, followed by the creation of a stable fast reactive shock wave. The terminal shock velocity is independent of the initiation conditions. Further analysis shows supersonic propagation decoupled from the dynamics of the decomposed material left behind the shock front. The dependence of the shock velocity on crystal nonlinear compressibility resembles solitary behavior. These properties categorize the phenomena as a weak detonation. The dependence of the detonation wave on microscopic potential parameters was investigated. An increase in detonation velocity with the reaction exothermicity reaching a saturation value is observed. In all other respects the model crystal exhibits typical properties of a molecular crystal.
|Additional Information:||© 2011 American Physical Society. Received 13 June 2011; revised manuscript received 31 October 2011; published 12 December 2011. We would like to thank Matania Ben-Artzi for insightful and fruitful discussions. We also want to thank Naomi Rom and Ido Schaefer for helpful discussions. The study was partially supported by the Center of Excellence for Explosives Detection, Mitigation and Response, DHS.|
|Classification Code:||PACS: 47.40.Rs, 62.50.Ef, 82.40.Fp|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||26 Jan 2012 22:07|
|Last Modified:||26 Dec 2012 14:43|
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