Simulations of Reactive Collisions in Detonating Solids
Abstract
This project uses molecular dynamics simulations to study the short - time chemistry and physics of detonating solids. A variety of condensed phase systems are studied ranging from one-dimensional chains to complex molecular solids. This research first requires the development of potentials capable of realistically modeling shock-induced chemical reactions in energetic molecular solids. Molecular dynamics simulations using these potentials are then carried out to study the role of molecular-scale chemistry in the initiation and propagation of solid-state detonations. This research addresses a number of fundamental issues including: (i) whether concerted chemical reactions at or near the shock front sustain a detonation; (ii) whether parallels can be drawn between gas-phase reactions and detonations, and (iii) whether molecular scale dynamics can provide insight into making safer explosives. (js)
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 06, 1989
- Accession Number
- ADA229071
Entities
People
- Carter T. White
- Donald W. Brenner
Organizations
- United States Naval Research Laboratory