1.4 Research Concept and Aims
27
• Investigate the development and use of an up-pumping based ab initio model to
predict the relative impact sensitivities of a range of energetic materials.
• Validate potential models against available experimental impact sensitivities.
• Unify previously proposed predictive up-pumping models into a single model.
References
1. Agrawal JP (2010) In: Agrawal JP (ed) High energy materials. Wiley-VCH, Weinheim
2. Davis TL (1928) Roger Bacon’s gunpowder and his secret wisdom. Ind Eng Chem 20(7):772–
774
3. Akhavan J (2011) The chemistry of explosives. In: Akhavan J (ed) Royal society of chemistry,
3rd edn. Cambridge, UK
4. Klapötke TM (2012) In: Klapötke TM (ed) Chemistry of high-energy materials, 2nd edn. De
Gruyter, Berlin
5. Nobel A (1928) Alfred Nobel, inventor of dynamite. J Chem Educ 5(11):1480
6. Medard LA (1989) In: Medard L. (ed) Accidental explosions volume 2: types of explosive
substances. Wiley, New York
7. Elbeih A, Jungová M, Zeman S, Vávra P, Akštein Z (2012) Explosive strength and impact
sensitivity of several PBXs based on attractive cyclic nitramines. Propellants Explos Pyrotech
37(3):329–334
8. Cumming AS (2009) New trends in advanced high energy materials. J Aerosp Technol Manag
1(2):161–166
9. Doherty RM (2007) Emerging trends in energetic materials. In: Insensitive munitions &
energetic materials technology symposium (IMEMTS), Miami, Fl. USA
10. Powell IJ (2016) Insensitive munitions—design principles and technology developments.
Propellants Explos Pyrotech 41(3):409–413
11. Haller TM, Rheingold AL, Brill TB (1985) Structure of the 1/1 complex between HMX and
NMP. Acta Cryst C41:963–965
12. Kennedy SR, Pulham CR (2018) Co-Crystallization of energetic materials. In: Aakeröy CB,
Sinha AS (eds) Co-crystals: preparation, characterization and applications. Royal Society of
Chemistry, Cambridge, pp 231–266
13. Zhang J, Shreeve JM (2016) Time for pairing: cocrystals as advanced energetic materials.
CrystEngComm 18(33):6124–6133
14. Landenberger KB, Matzger AJ (2010) Cocrystal engineering of a prototype energetic material:
supramolecular chemistry of 2,4,6-trinitrotoluene. Cryst Growth Des 10(12):5341–5347
15. Landenberger KB, Matzger AJ (2012) Cocrystals of 1,3,5,7-tetranitro-1,3,5,7tetrazacyclooctane (HMX). Cryst Growth Des 12(7):3603–3609
16. Bolton O, Simke LR, Pagoria PF, Matzger AJ (2012) High power explosive with good
sensitivity: a 2:1 cocrystal of CL-20:HMX. Cryst Growth Des 12(9):4311–4314
17. Bulusu SN (ed) (1990) Chemistry and physics of energetic materials. Kluwer Academic
Publishers, Netherlands
18. Harris P, Presles HN (1982) The shock induced electrical polarization of water. J Chem Phys
77(10):5157–5164
19. Meyer R, Köhler J, Homburg A (eds) (2007) Explosives, 6th edn. Wiley-VCH, Weinheim
20. Plets V (1953) Zh Obs Khim 5:173
21. Shackelford SA (1995) A general concept concerning energetic material sensitivity and
initiation. J Phys IV 5(C4):485–499
22. Bowden FP, Yoffe AD (1952) Initiation and growth of explosion in liquids and solids.
Cambridge University Press, Cambridge
27
• Investigate the development and use of an up-pumping based ab initio model to
predict the relative impact sensitivities of a range of energetic materials.
• Validate potential models against available experimental impact sensitivities.
• Unify previously proposed predictive up-pumping models into a single model.
References
1. Agrawal JP (2010) In: Agrawal JP (ed) High energy materials. Wiley-VCH, Weinheim
2. Davis TL (1928) Roger Bacon’s gunpowder and his secret wisdom. Ind Eng Chem 20(7):772–
774
3. Akhavan J (2011) The chemistry of explosives. In: Akhavan J (ed) Royal society of chemistry,
3rd edn. Cambridge, UK
4. Klapötke TM (2012) In: Klapötke TM (ed) Chemistry of high-energy materials, 2nd edn. De
Gruyter, Berlin
5. Nobel A (1928) Alfred Nobel, inventor of dynamite. J Chem Educ 5(11):1480
6. Medard LA (1989) In: Medard L. (ed) Accidental explosions volume 2: types of explosive
substances. Wiley, New York
7. Elbeih A, Jungová M, Zeman S, Vávra P, Akštein Z (2012) Explosive strength and impact
sensitivity of several PBXs based on attractive cyclic nitramines. Propellants Explos Pyrotech
37(3):329–334
8. Cumming AS (2009) New trends in advanced high energy materials. J Aerosp Technol Manag
1(2):161–166
9. Doherty RM (2007) Emerging trends in energetic materials. In: Insensitive munitions &
energetic materials technology symposium (IMEMTS), Miami, Fl. USA
10. Powell IJ (2016) Insensitive munitions—design principles and technology developments.
Propellants Explos Pyrotech 41(3):409–413
11. Haller TM, Rheingold AL, Brill TB (1985) Structure of the 1/1 complex between HMX and
NMP. Acta Cryst C41:963–965
12. Kennedy SR, Pulham CR (2018) Co-Crystallization of energetic materials. In: Aakeröy CB,
Sinha AS (eds) Co-crystals: preparation, characterization and applications. Royal Society of
Chemistry, Cambridge, pp 231–266
13. Zhang J, Shreeve JM (2016) Time for pairing: cocrystals as advanced energetic materials.
CrystEngComm 18(33):6124–6133
14. Landenberger KB, Matzger AJ (2010) Cocrystal engineering of a prototype energetic material:
supramolecular chemistry of 2,4,6-trinitrotoluene. Cryst Growth Des 10(12):5341–5347
15. Landenberger KB, Matzger AJ (2012) Cocrystals of 1,3,5,7-tetranitro-1,3,5,7tetrazacyclooctane (HMX). Cryst Growth Des 12(7):3603–3609
16. Bolton O, Simke LR, Pagoria PF, Matzger AJ (2012) High power explosive with good
sensitivity: a 2:1 cocrystal of CL-20:HMX. Cryst Growth Des 12(9):4311–4314
17. Bulusu SN (ed) (1990) Chemistry and physics of energetic materials. Kluwer Academic
Publishers, Netherlands
18. Harris P, Presles HN (1982) The shock induced electrical polarization of water. J Chem Phys
77(10):5157–5164
19. Meyer R, Köhler J, Homburg A (eds) (2007) Explosives, 6th edn. Wiley-VCH, Weinheim
20. Plets V (1953) Zh Obs Khim 5:173
21. Shackelford SA (1995) A general concept concerning energetic material sensitivity and
initiation. J Phys IV 5(C4):485–499
22. Bowden FP, Yoffe AD (1952) Initiation and growth of explosion in liquids and solids.
Cambridge University Press, Cambridge