Detonation Hugoniots from molecular dynamics simulations

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

Detonation Hugoniots from molecular dynamics simulations

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

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

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 language	English (US)
Pages (from-to)	1871-1881
Number of pages	11
Journal	Chemical Physics Reports
Volume	18
Issue number	10-11
State	Published - 2000
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
General Chemistry

Cite this

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title = "Detonation Hugoniots from molecular dynamics simulations",

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.",

author = "Swanson, {D. R.} and Mintmire, {J. W.} and Robertson, {D. H.} and White, {C. T.}",

year = "2000",

language = "English (US)",

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journal = "Chemical Physics Reports",

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AU - Swanson, D. R.

AU - Mintmire, J. W.

AU - Robertson, D. H.

AU - White, C. T.

PY - 2000

Y1 - 2000

N2 - 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.

AB - 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.

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M3 - Article

AN - SCOPUS:0011179886

SN - 1074-1550

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SP - 1871

EP - 1881

JO - Chemical Physics Reports

JF - Chemical Physics Reports

IS - 10-11

ER -

Detonation Hugoniots from molecular dynamics simulations

Abstract

ASJC Scopus subject areas

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