A molecular dynamics study of interface interactions and mechanical properties of HMX-based PBXs with PEG and HTPB

Journal of Molecular Structure: THEOCHEM

Volumn 851, Issue 1-3, 2008, Pages 242-248

  Xiao, Jijun ^a   Huang, Hui ^b   Li, Jinshan ^b   Zhang, Hang ^a   Zhu, Wei ^a   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Octahydro 1,3,5,7 tetranitro 1,3,5,7 tetrazocine; Interaction; Mechanical property; Molecular dynamics; Pair correlation function; Polymer bonded explosives

Indexed keywords

EID: 38749111767     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.11.021     Document Type: Article

References (33)

1. In: Gibbs T.R., and Popolato A. (Eds). LASL Explosive Property Data (1980), University of California Press, Berkeley
2. Dong H.S., and Zhou F.F. High Energy Explosives and Correlative Physical Properties (1989), Science Press, Beijing
3. Sun Y.B., Hui J.M., and Cao X.M. Military Use Blended Explosives (1995), Weapon Industry Press, Beijing
4. Geng J.F., and Lao Y.L. J. Beijing Univ. Sci. Tech. 11 (1991) 87
5. Van Oss C.J., Chaudhury M.K., and Good R.J. Chem. Rev. 88 (1988) 927
6. Xu Q.L. Energ. Mater. (in Chinese) 1 (1993) 1
7. Song H.J., Dong H.S., and Hao Y. Energ. Mater. (in Chinese) 8 (2000) 104
8. Xiao H.M., Li J.S., and Dong H.S. J. Phys. Org. Chem. 14 (2001) 644
9. Li J.S., Xiao H.M., and Dong H.S. Exploding Shock (in Chinese) 20 (2000) 221
10. Xiao H.M., and Ju X.H. Intermolecular Interactions in Energetic Systems (in Chinese) (2003), Science Press, Beijing
11. Sewell T.D., Menicoff R., Bedrov D., and Simith G.D. J. Chem. Phys. 119 (2003) 7417
12. Gee R.H., Roszak S., Balasubramanian K., and Fried L.E. J. Chem. Phys. 120 (2004) 7059
13. Yang X.Z. Molecular Simulation and Polymer Materials (in Chinese) (2002), Science Press, Beijing
14. Milchev A., and Binder K. Macromolecules 29 (1996) 343
15. Wang X.L., Lu Z.Y., Lee Z.S., and Sun C.C. J. Phys. Chem. B 109 (2005) 1764
16. Xiao J.J., Yong G.Y., Ji G.F., and Xiao H.M. Chinese Sci. Bull. 50 (2005) 21
17. Xiao J.J., Huang Y.C., Hu Y.J., and Xiao H.M. Sci. China, B 48 (2005) 504
18. Xu X.J., Xiao H.M., Xiao J.J., Zhu W., Huang H., and Li J.S. J. Phys. Chem. B 110 (2006) 7203
19. B.M. Dobratz, Report No. UCRL-52997, 16 March, 1981.
20. Sun H. J. Chem. Phys. B 102 (1998) 7338
21. Choi C.S., and Boutin H.P. Acta Crystallogr. B 26 (1970) 1235
22. Chen C.L., Chen H.L., Lee C.L., and Shih J.H. Macromolecules 27 (1994) 2087
23. Allen M.P., and Tildesley D.J. Computer Simulation of Liquids (1987), Oxford University Press, Oxford
24. Andersen H.C. J. Chem. Phys. 72 (1980) 2384
25. Parrinello M., and Rahman A. J. Appl. Phys. 52 (1981) 7182
26. Xiao H.M. The Molecular Orbital Theory for Nitrocompounds (in Chinese) (1993), National Defense Industry Press, Beijing
27. Xiao H.M., and Li Y.F. The Bond and Electronic Structure for Metal Azides (in Chinese) (1996), Science Press, Beijing
28. Botcher T.R., and Wright C.A. J. Phys. Chem. 97 (1993) 9149
29. Choi M., Kim H., and Chung C.J. J. Phys. Chem. 99 (1995) 15785
30. Luty T., Ordon P., and Eckhardt C.J. J. Chem. Phys. 117 (2002) 1175
31. Weiner J.H. Statistical Mechanics of Elasticity (1983), John Wiley, New York
32. Watt J.P., Davies G.F., and O'Connell R.J. Rev. Geophys. Space Phys. 14 (1976) 541
33. Pugh S.F. Philos. Mag. A 45 (1954) 823