Title :
Investigation of initiation of a reaction in a solid crystal by the method of molecular dynamics
Author :
Utkin, A.V. ; Golovnev, I.F. ; Fomin, V.M.
Author_Institution :
Inst. of Theor. & Appl. Mech., Acad. of Sci., Novosibirsk, Russia
Abstract :
The effect of the magnitude of pulse loading on the processes in a solid explosive is studied on the basis of a propagator modification of the method of molecular dynamics using a fourth-order numerical scheme. A mesoscale analysis of the wave processes revealed three regimes of propagation of disturbances in the crystal: acoustic, chemical reaction, and detonation. Physical criteria of the transition from one regime to another are obtained
Keywords :
acoustic wave effects; chemical reactions; detonation; explosions; molecular dynamics method; reaction kinetics theory; acoustic disturbance; chemical reaction; detonation; disturbance propagation; fourth-order numerical scheme; mesoscale analysis; molecular dynamics; propagator modification; pulse loading; reaction initiation; solid crystal; solid explosive; wave processes; Acoustic propagation; Acoustic pulses; Acoustic waves; Chemical analysis; Chemical processes; Crystals; Explosives; Potential well; Shape; Solids;
Conference_Titel :
Science and Technology, 1999. KORUS '99. Proceedings. The Third Russian-Korean International Symposium on
Conference_Location :
Novosibirsk
Print_ISBN :
0-7803-5729-9
DOI :
10.1109/KORUS.1999.876233
