A Computer Simulation of Detonation within an Energetic Molecular Crystal.
Final rept. 1985-1986,
NAVAL ACADEMY ANNAPOLIS MD
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The study of detonation has been based upon hydrodynamic theory. This view of detonation completely ignores the actual chemistry of the explosive reaction. Therefore, the dynamics of detonation on a molecular level remain unknown. The purpose of this project is to use a computer to investigate the propagation of detonation through a crystal. Research in this area is hindered by the fact that monitoring instruments are destroyed in actual detonations. Computer simulations avoid this problem because there is no physical explosion. The actual detonation is extremely rapid collection of data at designated conditions or times can not be guaranteed. The computer does not have this problem since it can be programmed to display the data at any desired condition or time. A nonhomogeneous crystal of diatomic molecules was monitored to discover the atomic interactions during detonation. A Lennard-Jones potential equation was used to represent the exothermic reaction between diatomic hydrogen and chlorine molecules. This is the first project to use the natural formation of stable reaction products to achieve exothermicity.
- Computer Programming and Software