We present a method to calculate a detonation Hugoniot directly from piston-driven molecular dynamics simulations without determination of the equation of state. A model system that exhibits a chemically sustained detonation is investigated. The front velocity derived from the detonation Hugoniot is in excellent agreement with that obtained directly from an unsupported molecular dynamics simulation.
|Original language||English (US)|
|Number of pages||11|
|Journal||Chemical Physics Reports|
|Publication status||Published - Dec 1 2000|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics