Journal
COMBUSTION EXPLOSION AND SHOCK WAVES
Volume 50, Issue 3, Pages 323-332Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0010508214030101
Keywords
molecular dynamics; PETN; hot spot; ReaxFF; burning rate
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Funding
- Russian Foundation for Basic Research [12-02-13511-ofi-m-ra]
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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.
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