Continuum predictions from molecular dynamics simulations

Shock waves

Seth Root, Robert J. Hardy, David R Swanson

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

The techniques for obtaining continuously distributed local properties from the positions and velocities of constituent atoms were investigated. The local density, temperature, and velocity were calculated using a localization function from the results of molecular dynamics simulations of shock waves in a two dimensional system. The spatial variations of the local properties were obtained and the width of the localization function was varied to optimize the presentation.

Original languageEnglish (US)
Pages (from-to)3161-3165
Number of pages5
JournalJournal of Chemical Physics
Volume118
Issue number7
DOIs
StatePublished - Feb 15 2003

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Shock waves
Molecular dynamics
shock waves
molecular dynamics
continuums
Computer simulation
predictions
simulation
Atoms
Temperature
atoms
temperature

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Continuum predictions from molecular dynamics simulations : Shock waves. / Root, Seth; Hardy, Robert J.; Swanson, David R.

In: Journal of Chemical Physics, Vol. 118, No. 7, 15.02.2003, p. 3161-3165.

Research output: Contribution to journalArticle

Root, Seth ; Hardy, Robert J. ; Swanson, David R. / Continuum predictions from molecular dynamics simulations : Shock waves. In: Journal of Chemical Physics. 2003 ; Vol. 118, No. 7. pp. 3161-3165.
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