Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations

Published:2009-10-01 Issue:40 Volume:113 Page:10619-10640
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhang Luzheng¹,Zybin Sergey V.¹,van Duin Adri C. T.¹,Dasgupta Siddharth¹,Goddard William A.¹,Kober Edward M.²

Affiliation:

1. Materials & Process Simulation Center, California Institute of Technology, Pasadena, California 91125

2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp901353a

Reference60 articles.

1. ReaxFF: A Reactive Force Field for Hydrocarbons

2. Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX

3. Thermal decomposition of RDX from reactive molecular dynamics

4. Atomistic-Scale Simulations of the Initial Chemical Events in the Thermal Initiation of Triacetonetriperoxide

5. Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field

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