Detonation hugoniots from molecular dynamics simulations

D. R. Swanson, J. W. Mintmire, D. H. Robertson, C. T. White

Research output: Contribution to journalArticle

1 Scopus citations


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 languageEnglish (US)
Pages (from-to)63-66
Number of pages4
JournalKhimicheskaya Fizika
Issue number10
StatePublished - Dec 1 1999


ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Swanson, D. R., Mintmire, J. W., Robertson, D. H., & White, C. T. (1999). Detonation hugoniots from molecular dynamics simulations. Khimicheskaya Fizika, 18(10), 63-66.