Interplay of decomposition mechanisms at shear-strain interface

Journal of Physical Chemistry C

Volumn 113, Issue 1, 2009, Pages 17-20

  Kuklja, Maija M ^a,b   Rashkeev, Sergey N ^c  

^a UNIVERSITY OF MARYLAND   (United States)

^b NATIONAL SCIENCE FOUNDATION   (United States)

^c IDAHO NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BURIED INTERFACES; CHAIN REACTIONS; DECOMPOSITION MECHANISMS; DECOMPOSITION PROCESS; DENSITY-FUNCTIONAL THEORIES; ENERGETIC MATERIALS; EXPLOSIVE DECOMPOSITIONS; HOT SPOTS; NEW MATERIALS; NUCLEATION SITES; RATIONAL DESIGNS; STRAIN DEFORMATIONS; STRUCTURAL TRANSFORMATIONS; STRUCTURE AND PROPERTIES; TAILORED PROPERTIES;

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; EXPLOSIVES; MATERIALS PROPERTIES; MATERIALS SCIENCE; MOLECULAR CRYSTALS;

DECOMPOSITION;

EID: 65249132280     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp808367r     Document Type: Article

References (28)

1. Bowden, F. P.; Yoffe, Y. D. In Initiation and Growth of Explosion in Liquids and Solids; Cambridge University Press: London, 1952, pp 64-65.
2. Tokmakov, A.; Dlott, D.; Fayer, M. J. Phys. Chem. 1993, 97, 1901.
3. Coffey, C. S.; Sharma, J. Phys. Rev. B 1999, 60, 13.
4. Kuklja, M. M.; Aduev, B. P.; Aluker, E. D.; Krasheninin, V. I.; Krechetov, A. G.; Mitrofanov, A. Yu. J. Appl. Phys. 2001, 89, 4156.
5. (a) Dick, J. J.; Ritchie, J. P. J. Appl. Phys. 1994, 76, 2726. (b) Dick, J. J. J. Appl. Phys. 1997, 81, 601.
6. (a) Yoo, C. S.; Holmes, N. C.; Souers, P. C.; Wu, C. J.; Ree, F. H.; Dick, J. J. J. Appl. Phys. 2000, 88, 70. (b) Wu, C.; Ree, F. S.; Yoo, C. S. Propellants, Explos., Pyrotech. 2004, 29, 296.
7. Latypov, N. V.; Bergman, J.; Langlet, A.; Wellmar, U.; Bemm, U. Tetrahedron 1998, 54, 11525.
8. Östmark, H.; Langlet, A.; Bergman, H.; Wingborg, N.; Wellmar, U.; Bemm, U. In Proceedings of the 11th International Detonation Symposium, Snowmass, Colorado, 1998, ONR 33300-5; ONR: Arlington, VA, 2000, p 807.
9. Rashkeev, S. N.; Kuklja, M. M.; Zerilli, F. J. Appl. Phys. Lett. 2003, 82, 1371.
10. Kuklja, M. M.; Rashkeev, S. N.; Zerilli, F. J. Appl. Phys. Lett. 2006, 89, 071904.
11. Kuklja, M. M.; Rashkeev, S. N. Appl. Phys. Lett. 2007, 90, 151913.
12. Kuklja, M. M.; Rashkeev, S. N. Phys. Rev. B 2007, 75, 104111.
13. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
14. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115.
15. Bemm, U.; Östmark, H. Acta Crystallograph., Sect. C 1998, 54, 1997.
16. Kuklja, M. M.; Zerilli, F. J.; Peiris, S. M. J. Chem. Phys. 2003, 118, 11073.
17. Sorescu, D. C.; Boatz, J. A.; Thompson, D. L. J. Phys. Chem. A2001, 105, 5010.
18. Gindulyté, A.; Massa, L.; Huang, L.; Karle, J. J. Phys. Chem. A 1999, 103, 11045.
19. Politzer, P.; Concha, M. C.; Grice, M. E.; Murray, J. S.; Lane, P.; Habibollazadeh, D. J. Mol. Struct. (THEOCHEM) 1998, 452, 72.
20. Mills, G.; Jonsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305.
21. 2 groups (̃100 fs; see ref 12).
22. Peiris, S. M.; Wong, C. P.; Zerilli, F. J. Chem. Phys. 2004, 120, 8060.
23. Plaksin, I.; Ribeiro, J.; Mendes, R.; Campos, J.; Almada, S.; Gois, J. Proceedings of the 39th International Annual Conference of ICT on Energetic Materials, June 26-27, 2008; DWS Werbagentur und Verlag GmbH: Karlsruhe, Germany, 2008.
24. Kunz, A. B.; Kuklja, M. M.; Botcher, T. R.; Russel, T. P. Thermochim. Acta. 2002, 384, 279.
25. Details of chemical activity of NO product in the DADNE lattice and the nature of the diffusion transition states and reaction barriers will be reported in a forthcoming publication.
26. Kimmel, A. V.; Sushko, P. V.; Shluger, A. L.; Kuklja, M. M. J. Chem. Phys. 2007, 126, 234711.
27. Gao, H.-X.; Zhao, F.-Q.; Hu, R.-Z.; Pan, Q.; Wang, B.-Z.; Yang, X.-W.; Gao, Y.; Gao, S.-L. Chin. J. Chem. 2006, 24, 177.
28. Brill, T.; James, K. Chem. Rev. 1993, 93, 2667.