The Potential of FOX-7 Explosive in Insensitive Munition Design

Cullis, I.G.; Townsley, R.

doi:10.1115/1.4004282

Cited by 23 publications

(14 citation statements)

References 3 publications

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“…However, the detonation energy of TATB is relatively low, around 65% of the widely used high explosive 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) 26 . Over the past decades, a few low-sensitivity HEDMs, such as 1,1-diamino-2,2-dinitroethene(FOX-7) and 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), have been reported as potential TATB replacements, but their safety issues are still far away from industrial standard of IHE molecules 27 – 29 . Ideally, new IHE molecules are expected to have the TATB’s sensitivity and the HMX’s energy.…”

Section: Introductionmentioning

confidence: 99%

Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach

et al. 2018

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Finding new high-energy-density materials with desired properties has been intensely-pursued in recent decades. However, the contradictory relationship between high energy and low mechanical sensitivity makes the innovation of insensitive high-energy-density materials an enormous challenge. Here, we show how a materials genome approach can be used to accelerate the discovery of new insensitive high-energy explosives by identification of “genetic” features, rapid molecular design, and screening, as well as experimental synthesis of a target molecule, 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide. This as-synthesized energetic compound exhibits a graphite-like layered crystal structure with a high measured density of 1.95 g cm−3, high thermal decomposition temperature of 284 °C, high detonation velocity of 9169 m s−1, and extremely low mechanical sensitivities (impact sensitivity, >60 J and friction sensitivity, >360 N). Besides the considered system of six-member aromatic and hetero-aromatic rings, this materials genome approach can also be applicable to the development of new high-performing energetic materials.

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Section: Introductionmentioning

confidence: 99%

Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach

et al. 2018

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“…found that PBXs based on FOX-7 could serve as a replacement of Comp B even at rather low solid loadings [ 21 ]. Cullis & Townsley found that FOX-7-based PBXs outperformed PBXN-110 [ 22 ]. Mishra et al .…”

Section: Introductionmentioning

confidence: 99%

“…With such excellent performance, the research on optimizing PBXs performance has been widely carried out worldwide [15][16][17][18][19][20]. Many investigations have demonstrated the superiority of FOX-7-based PBXs [21][22][23]. Karlsson et al found that PBXs based on FOX-7 could serve as a replacement of Comp B even at rather low solid loadings [21].…”

Section: Introductionmentioning

confidence: 99%

Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation

Wang

Chen

et al. 2021

R. Soc. open sci.

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Molecular dynamics (MD) simulations have been applied to investigate 1, 1-diamino-2, 2-dinitroethene (FOX-7) crystal and FOX-7 (011)-based polymer-bonded explosives (PBXs) with four typical polymers, polyethylene glycol (PEG), fluorine-polymer (F 2603 ), ethylene-vinyl acetate copolymer (EVA) and ester urethane (ESTANE5703) under COMPASS force field. Binding energy ( E bind ), cohesive energy density (CED), initiation bond length distribution, RDG analysis and isotropic mechanical properties of FOX-7 and its PBXs at different temperatures were reported for the first time, and the relationship between them and sensitivity. Using quantum chemistry, FOX-7 was optimized with the four polymers at the B3LYP/6-311++G(d,p) level, and the structure and RDG of the optimized composite system were analysed. The results indicated that the binding energy presented irregular changes with the increase in temperature. The order of binding ability of different binders to the FOX-7 (011) crystal surface is PEG > ESTANE5703 > EVA > F 2603 . When the temperature increases, the maximum bond length ( L max ) of the induced bond increases and the CED decreases. This result is achieved in agreement with the known experimental fact that the sensitivity of explosives increases with temperature, and they can be used as the criterion to predict the sensitivity of explosives. The descending order of L max is FOX-7 > F 2603 > ESTANE5703≈EVA > PEG. The intermolecular interactions between FOX-7 and the four polymers were mainly weak hydrogen bonding and van der Waals interactions, and these interactions helped to reduce the bond length of C-NO 2 , leading to a decrease in the sensitivity of FOX-7. The addition of polymers can effectively improve the mechanical properties of explosives. Among the four polymers, EVA has the best effect on improving the mechanical properties of FOX-7 (011). At the same temperature, the modulus can be used to predict the sensitivity of high-energy materials. Cauchy pressure can predict the sensitivity of non-brittle energetic materials. The nature of the interaction between FOX-7 and the four polymers is hydrogen bonding and van der Waals force, of which hydrogen bonding is the main one. These studies are meaningful for the formulation design and sensitivity prediction of FOX-7 and its PBXs.

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“…1,1-Diamino-2,2-dinitroethene ([C 2 (NH 2 ) 2 (NO 2 ) 2 ], FOX-7 or DADNE) is a high explosive (HE) crystal with excellent performance and low initiation sensitivity [1][2][3][4][5].…”

Section: Introductionmentioning

confidence: 99%

High-pressure stability of 1,1-diamino-2,2-dinitroethene (FOX-7): H/D isotope effect

Tao

Dreger

Gupta

2015

Chemical Physics Letters

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H/D substitution was used to gain insight into the role of hydrogen bonding (HB) on the high-pressure stability of FOX-7. Raman measurements were performed on single crystals of deuterated FOX-7 (FOX-7-d 4) compressed to 40 GPa. Comparison of present and previously published results for FOX-7 revealed that deuteration: (i) does not affect chemical stability to 40 GPa, (ii) removes spectral changes observed at 2 GPa, (iii) does not affect the pressure onset for the 4.5 GPa phase transition, and (iv) lifts the vibrational modes coupling. This work demonstrates that HB contributes selectively to different aspects of the high-pressure stability of FOX-7.

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The Potential of FOX-7 Explosive in Insensitive Munition Design

Cited by 23 publications

References 3 publications

Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach

Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach

Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation

High-pressure stability of 1,1-diamino-2,2-dinitroethene (FOX-7): H/D isotope effect

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