Continuum predictions from molecular dynamics simulations: Shock waves

Seth Root, Robert J. Hardy, David R. Swanson

Research output: Contribution to journalArticlepeer-review

44 Scopus citations


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
Issue number7
StatePublished - Feb 15 2003
Externally publishedYes

ASJC Scopus subject areas

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


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