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Colloid and Polymer Science

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01-12-2012 | Original Contribution

The force-field derivation and atomistic simulation of HMX–fluoropolymer mixture explosives

Authors: Yao Long, Yong-Gang Liu, Fu-De Nie, Jun Chen

Published in: Colloid and Polymer Science | Issue 18/2012

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Abstract

We get ab initio-based force field between octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and fluoropolymer. The HMX is a high-energy explosive, and fluoropolymer is a binder. By using this force field, the mechanical properties of mixture explosives are investigated. Nine kinds of polymers are considered: polyvinylidene fluoride, polychlorotrifluoroethene, polytetrafluoroethene, polyhexafluoropropene, F2311, F2312, F2313, F2314, and Viton-A. The deformation processes of explosives are simulated, the structure evolution and energy variation are calculated, and the coating and plasticizing properties of binders to HMX are obtained.

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Title: The force-field derivation and atomistic simulation of HMX–fluoropolymer mixture explosives
Authors: Yao Long
Yong-Gang Liu
Fu-De Nie
Jun Chen
Publication date: 01-12-2012
Publisher: Springer-Verlag
Published in: Colloid and Polymer Science / Issue 18/2012
Print ISSN: 0303-402X
Electronic ISSN: 1435-1536
DOI: https://doi.org/10.1007/s00396-012-2705-z

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