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This article is cited in 8 scientific papers (total in 8 papers)
Molecular dynamics simulation of combustion front propagation in a PETN single crystal
O. V. Sergeev, A. V. Yanilkin Dukhov All-Russian Research Institute of Automatics, Moscow, 127055, Russia
Abstract:
The propagation velocity of the combustion front in PETN was calculated. The kinetics of the chemical reactions occurring during propagation of combustion and dependences of the burning rate on the direction in the crystal and external pressure are discussed. The pressure dependence is linear in the pressure range of up to 30 GPa. The results are compared with experimental data and ab initio calculations.
Keywords:
ReaxFF, molecular dynamics, PETN, hot spot, ReaxFF, burning rate.
Received: 27.02.2013 Revised: 10.07.2013
Citation:
O. V. Sergeev, A. V. Yanilkin, “Molecular dynamics simulation of combustion front propagation in a PETN single crystal”, Fizika Goreniya i Vzryva, 50:3 (2014), 87–97; Combustion, Explosion and Shock Waves, 50:3 (2014), 323–332
Linking options:
https://www.mathnet.ru/eng/fgv134 https://www.mathnet.ru/eng/fgv/v50/i3/p87
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