Detonation Hugoniots from molecular dynamics simulations

Citation
Dr. Swanson et al., Detonation Hugoniots from molecular dynamics simulations, CHEM PHYS R, 18(10-11), 2000, pp. 1871-1881
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS REPORTS
ISSN journal
10741550 → ACNP
Volume
18
Issue
10-11
Year of publication
2000
Pages
1871 - 1881
Database
ISI
SICI code
1074-1550(2000)18:10-11<1871:DHFMDS>2.0.ZU;2-0
Abstract
We present a method to calculate a detonation Hugoniot directly from piston -driven molecular dynamics simulations without determination of the equatio n 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 mol ecular dynamics simulation.