Continuum predictions from molecular dynamics simulations: Shock waves

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

doi:10.1063/1.1537243

Continuum predictions from molecular dynamics simulations: Shock waves

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

Research output: Contribution to journal › Article › peer-review

44 Scopus citations

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 language	English (US)
Pages (from-to)	3161-3165
Number of pages	5
Journal	Journal of Chemical Physics
Volume	118
Issue number	7
DOIs	https://doi.org/10.1063/1.1537243
State	Published - Feb 15 2003
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1537243

Cite this

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title = "Continuum predictions from molecular dynamics simulations: Shock waves",

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.",

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T2 - Shock waves

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AU - Hardy, Robert J.

AU - Swanson, David R.

PY - 2003/2/15

Y1 - 2003/2/15

N2 - 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.

AB - 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.

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DO - 10.1063/1.1537243

M3 - Article

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SP - 3161

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JO - Journal of Chemical Physics

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Continuum predictions from molecular dynamics simulations: Shock waves

Abstract

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