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

Computer Science and Engineering

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

1 Scopus citations

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)	63-66
Number of pages	4
Journal	Khimicheskaya Fizika
Volume	18
Issue number	10
State	Published - 1999

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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 = "1999",

language = "English (US)",

volume = "18",

pages = "63--66",

journal = "Khimicheskaya Fizika",

issn = "0207-401X",

publisher = "Izdatel'stvo Nauka",

number = "10",

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TY - JOUR

T1 - Detonation hugoniots from molecular dynamics simulations

AU - Swanson, D. R.

AU - Mintmire, J. W.

AU - Robertson, D. H.

AU - White, C. T.

PY - 1999

Y1 - 1999

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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UR - http://www.scopus.com/inward/citedby.url?scp=0141526710&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0141526710

SN - 0207-401X

VL - 18

SP - 63

EP - 66

JO - Khimicheskaya Fizika

JF - Khimicheskaya Fizika

IS - 10

ER -

Detonation hugoniots from molecular dynamics simulations

Abstract

ASJC Scopus subject areas

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