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Erschienen in:
2009 | OriginalPaper | Buchkapitel
Effects of Interface Interactions on Mechanical Properties in RDX-Based PBXs HTPB-DOA: Molecular Dynamics Simulations
verfasst von : Mounir Jaidann, Louis-Simon Lussier, Amal Bouamoul, Hakima Abou-Rachid, Josée Brisson
Erschienen in: Computational Science – ICCS 2009
Verlag: Springer Berlin Heidelberg
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Atomistic molecular dynamics simulation was carried out to study interface interactions between a crystal structure and a plastic bonded explosive (PBX) system. In this work, the polymer is hydroxyl-terminated polybutadiene (HTPB), the plasticizer is dioctyl adipate (DOA) and the crystal phase is hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Experimental RDX crystallo-graphic data show that (
020
), (
200
) and (
210
) crystal faces usually dominate, and these were therefore only these were studied. Interface models were built and interfacial bonding energies calculated to investigate HTPB/RDX adhesion properties in the (DOA+HTPB)/RDX system. Mechanical properties such as Poisson’s ratio, Young, bulk and shear moduli were also predicted. The most favourable interactions occur between HTPB-DOA and the RDX (020) crystal face: obtaining crystals with prominent (020) faces may provide a more flexible mixture, with a lower Young’s modulus and an increased ductility.