Detonation Hugoniots from molecular dynamics simulations

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

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

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)1871-1881
Number of pages11
JournalChemical Physics Reports
Volume18
Issue number10-11
StatePublished - Dec 1 2000

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Detonation
detonation
Molecular dynamics
molecular dynamics
Computer simulation
simulation
pistons
Equations of state
Pistons
equations of state

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Chemistry(all)

Cite this

Swanson, D. R., Mintmire, J. W., Robertson, D. H., & White, C. T. (2000). Detonation Hugoniots from molecular dynamics simulations. Chemical Physics Reports, 18(10-11), 1871-1881.

Detonation Hugoniots from molecular dynamics simulations. / Swanson, D. R.; Mintmire, J. W.; Robertson, D. H.; White, C. T.

In: Chemical Physics Reports, Vol. 18, No. 10-11, 01.12.2000, p. 1871-1881.

Research output: Contribution to journalArticle

Swanson, DR, Mintmire, JW, Robertson, DH & White, CT 2000, 'Detonation Hugoniots from molecular dynamics simulations', Chemical Physics Reports, vol. 18, no. 10-11, pp. 1871-1881.
Swanson DR, Mintmire JW, Robertson DH, White CT. Detonation Hugoniots from molecular dynamics simulations. Chemical Physics Reports. 2000 Dec 1;18(10-11):1871-1881.
Swanson, D. R. ; Mintmire, J. W. ; Robertson, D. H. ; White, C. T. / Detonation Hugoniots from molecular dynamics simulations. In: Chemical Physics Reports. 2000 ; Vol. 18, No. 10-11. pp. 1871-1881.
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