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Tight Binding Molecular Dynamic Simulation of PETN Decomposition at An Extreme Condition

Published online by Cambridge University Press:  26 February 2011

Christine Jiang Wu ,
M. Riad Manaa  and
Laurence E. Fried
Christine Jiang Wu
Affiliation:
[email protected] Lawrence Livermore National Lab Physics and Advanced Technologies 7000 East Av. L-045 Livermore CA 94551 United States 925-424-4096 925-422-2851
M. Riad Manaa
Affiliation:
[email protected] Lawrence Livermore National Lab Energetic Materials Center Livermore CA 94551 United States
Laurence E. Fried
Affiliation:
[email protected] Lawrence Livermore National Lab Energetic Materials Center Livermore CA 94551 United States
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Abstract

It has been long speculated that extreme pressures and temperatures produce unexpected chemcial phenomena. In this presentation, I discussed the reaction kinetics obtained from a tight binding MD simulation of PETN decomposition

Keywords

energetic materialsimulationkinetics
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 987: Symposium PP – Materials Research at High Pressure , 2006 , 0987-PP04-11
Copyright
Copyright © Materials Research Society 2007

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References

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