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7763654 
Journal Article 
NPT Ensemble MD Simulation Investigation on the Mechanical Properties of HMX/F-2311 Polymer-bonded Explosive 
Xiao Ji-Jun; Zhang Hang; Huang Hui; Li Jing-Shang; Zhu Wei; Xiao He-Ming 
2008 
Yes 
Chinese Journal of Chemistry
ISSN: 1001-604X 
26 
11 
1969-1972 
English 
WOS:000261672200003 
Molecular dynamics simulation was applied to investigate the mechanical properties of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)-based polymer-bonded explosive (PBX) with F2311 fluorine rubber (It is produced by copolymerization of vinylidene difluoride and chlorotrifluoroethylene in the molar ratio 1 over 1). The elastic constants for β-HMX crystal and the HMX-based PBX were computed using a static elastic constant analysis method, and the engineering moduli and Poisson ratios were derived by Reuss average. Based on the value of Cauchy pressure and the ratio of bulk modulus to shear modulus, it is indicated that the ductibility of crystalline HMX can be effectively improved by blending the polymer in a small amount. © 2008 SIOC, CAS, & Wiley-VCH Verlag GmbH & Co. KGaA. 
molecular dynamics; mechanical property; HMX; polymer-bonded explosive (PBX) 
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