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ISSN: 2666-6472

Solid-phase ripening of hexanitrostilbene (HNS) nanoparticles: Effects of temperature and solvent vapour

The solid-phase ripening of nano explosives leads to the performance degradation of explosives with time, and it has been a long-standing challenge to understand the solid-phase ripening kinetics of...

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Effects of the Al content on thermal decomposition and combustion properties of HMX/Al composites

To understand the thermal decomposition and combustion characteristics of HMX/aluminum (Al) composites, this study prepared the HMX/Al composites with different Al contents and carried out the thermal...

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Molecular evolution mechanisms of FOX-7 under high-pressure shock on different crystal faces

To illustrate atomic-level insights into the physicochemical behavior of 1,1-diamino-2,2-dinitroethylene (FOX-7) under shock stimulation, this study applied pressure of 1 GPa–90 GPa on different crystalline...

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Reactive molecular dynamics studies of the interfacial reactions of core-shell structured CL-20-based aluminized explosives at high temperature

The thermal decomposition processes of CL-20 nanoparticle (NP), core-shell structured CL-20@Al NP, and CL-20@AlO NP were studied through reactive molecular dynamics simulations. The results are as follows:...

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Constructing a framework with 1,3,4-oxadiazole and pyrazole for new high energy insensitive salts

A novel neutral tricyclic energetic compound 5,5’ -(4-nitro-1H-pyrazole-3,5-diyl) bis (1,3,4-oxadiazol -2-amine) and a series of corresponding energetic ionic salts 7–9 were synthesized. Differential...

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Novel energetic furazans containing isomeric N-(Azoxy)-dinitropyrazole moieties: Synthesis, characterization and comparison of properties

Novel energetic furazans 3a–3c and 4a–4c containing isomeric (3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy and (3,5-dinitro-1H-pyrazol-1-yl)-NNO-azoxy moieties have been obtained. A synthetic approach to...

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Tetrazolo[1,5-b]pyridazine as a versatile scaffold for construction of multipurpose energetic materials

In this work, a fused-ring tetrazolo[1,5-b]pyridazine framework with catenated nitrogen chain was applied to develop new energetic materials with task-specific applications for different purposes. Their...

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An unusual reaction of 1,1-diamino-2-nitro-2-(1H-triazol-5-yl)ethene and hydrazine: The synthesis of a dihydrotetrazine bridged energetic compound

The exploration of energetic derivatives of 1,1-diamino-2,2-dinitroethylene (FOX-7) is a feasible strategy for attaining high-performance energetic materials. Of all the extant types of energetic derivatives,...

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Synthesis and characterization of oxygen-containing imidazo[1,2-d][1,2,4]oxadiazole fused-ring energetic compounds

Oxygen plays an important role in improving the oxygen balances and densities of energetic compounds. In this study, a series of oxygen-containing imidazo[1,2-d][1,2,4]oxadiazole building block-based...

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Energetic triazinium salts from N-amination of 3,5-diamino-6-nitro-1,2,4-triazine

The N-amination of 3,5-diamino-6-nitro-1,2,4-triazine via treatment with O-tosylhydroxylamine (THA) resulted in the formation of the 2,3,5-triamino-6-nitro-1,2,4-triazinium cation as the tosylate salt....

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A new nitrate-based energetic molecular perovskite as a modern edition of black powder

In recent years, energetic molecular perovskites, which serve as an energetic material design platform, have shown potential for designing primary and secondary explosives. To explore their potential...

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1,5-Dimethyltetrazole as a ligand in energetic 3d5 to 3d10-metal coordination compounds

During the last decade, energetic coordination compounds gained considerable attention due to the simple adjustments in their physicochemical properties. By combining different metal cations, energetic...

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Simple and energetic: Novel combination of furoxan and 1,2,4-triazole rings in the synthesis of energetic materials

Two novel representatives of energetic (1,2,4-triazolyl)furoxans were prepared from the readily available (furoxanyl)amidrazones. Synthesized compounds were thoroughly characterized with IR and multinuclear...

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Machine learning-guided property prediction of energetic materials: Recent advances, challenges, and perspectives

Predicting chemical properties is one of the most important applications of machine learning. In recent years, the prediction of the properties of energetic materials using machine learning has been...

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1-Nitramino-5-aminotetrazole – A simple accessible highly energetic building block

The highly energetic 1-nitrimino-5-aminotetrazole moiety can be obtained by direct nitration of 1,5-diaminotetrazole. The hydroxylammonium, 3,6,7-triamino-[1,2,4]triazolo[4,3-b][1,2,4]triazolium (HTATOT)...

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High-density and low-sensitivity energetic materials based on conjugated fused rings

This study effectively synthesized N,N'-(diazene-1,2-diylbis(5-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazine-2,7-diyl)) dinitramide (3) by using 3,5-diamino-1,2,4-triazole as a starting material combining...

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Nitrogen heterocycle-based energetic materials: New opportunities and state-of-the-art

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AIEgen-based metal-organic frameworks as sensing “toolkit” for identification and analysis of energetic compounds

The identification and analysis of energetic compounds are important technology in the field of national defence and environmental monitoring. However, as the rapid development of high-energy density...

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Thermal decomposition of cocrystal BTF/TNB nanoparticles simulated using density functional tight-binding molecular dynamics

To understand the nano effect on the thermal decomposition of cocrystal explosives, this study simulated the initial decomposition of cocrystal BTF/TNB nanoparticles (NPs) with diameters of 2.2–3.0 ​nm...

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Reaction-dominated combustion control of ammonium perchlorate-based composites by layered V2C MXene

Reactive combustion catalysts (RCCs) are emerging materials for the combustion control of ammonium perchlorate (AP)-based propellants owing to their unique ability to control burning rates, high atomic...

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Potential energetic salts of 5,5′-methylenedi(4H-1,2,4-triazole-3,4-diamine) cation: Synthesis, characterization and detonation performance

1,2,3-Triazole and 1,2,4-triazole have been vigorously used in energetic materials research. Among these two, 1,2,4-triazole has been a widely used backbone in designing new energetic materials with...

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Decreasing the hygroscopicity of ammonium dinitramide (ADN) through cocrystallization

To decrease the hygroscopicity of ADN—a energetic oxidizer, this study developed a new cocrystal composed of ADN and 18C6 (18-crown-6) at a 1:1 ​M ratio through cocrystallization using the solvent evaporation...

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Numerical simulations of trajectories of shock wave triple points in near-ground explosions of TNT charges

To accurately predict the locations and trajectories of shock wave triple points in near-ground explosions, this study determined the propagation law of shock waves after the initiation of a detonator...

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Heat-induced solid-state polymorphic transition of 4,4′,5,5′- tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine (DATNBI)

Polymorphs of energetic materials generally exhibit distinct features, such as density, thermal stability, sensitivity, and detonation performance. These features are important in determining the appropriate...

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