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- Title
Multiscale Simulation on the Influence of Dimethyl Hydantoin on Mechanical Properties of GAP/RDX Propellants.
- Authors
Lan, Yanhua; Zhai, Jinxian; Li, Dinghua; Yang, Rongjie
- Abstract
The influence of dimethyl hydantoin (DMH) on the mechanical properties of GAP/RDX propellant was studied by molecular dynamics (MD) and dissipative particle dynamics (DPD) simulation. The results showed that the binding energies ( Ebinding) between GAP and different surfaces of RDX were in the order of (010)>(001)>(100). Compared to GAP/RDX, GAP grafted with DMH (GAP-DMH) exhibits higher binding energies with RDX, and the sequence of Ebinding turns to (001)>(010)>(100). Radial distribution simulations demonstrated that GAP-DMH is more close to the surfaces of RDX, increasing the van der Waals energies between GAP-DMH and RDX. The stress and strain of GAP-DMH/RDX excel those of GAP/RDX. DPD simulations showed that GAP-DMH was able to restrain the agglomeration of RDX, to improve the dispersibility and to enlarge the contact surface with RDX, which also increased the mechanical properties of GAP/RDX propellant.
- Subjects
PROPELLANTS; MECHANICAL behavior of materials; HYDANTOIN; MOLECULAR dynamics; AGGLOMERATION (Materials); SIMULATION methods &; models
- Publication
Propellants, Explosives, Pyrotechnics, 2014, Vol 39, Issue 1, p18
- ISSN
0721-3115
- Publication type
Article
- DOI
10.1002/prep.201200210