Modified double base propellants containing RDX with zero burning rate temperature coefficient
Available online 19 May 2025
Low temperature sensitivity coefficients are of great significance for improving the combustion stability of modified double-base propellants (MDBPs) under sensitive environmental conditions. In this...
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Shock Response in Cage-like Polynitrocubane High-Energy-Density Materials: Competition between Strain Energy and Structural Symmetry
Available online 14 May 2025
The cage-like structures provide a unique combination of strain energy for enhanced energy storage and hyperstatic constraints to stabilize the system, positioning them as promising pioneers in advancing...
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Pyrolysis behavior and mechanism of high nitrogen compound 4,4′,6,6′-tetra(azido)-hydrazine-1,3,5-triazine
Available online 29 April 2025
The pyrolysis behavior and mechanism of energetic materials are crucial for assessing their safety and application. In this study, the pyrolysis behavior, gas-phase decomposition products, condensate...
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Targeted nano-energetic material exploration through active learning algorithm implementation
March 2025
This paper presents an active learning-based method designed to guide experiments towards user-defined specific regions, termed ”regions of interest,” within vast and multi-dimensional thermite design...
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Chemical reaction mechanisms and models of energetic materials: A perspective
March 2025
Energetic materials (EMs) are a kind of metastable functional materials with certain potential barriers, overcoming which can quickly release the energy stored in EMs. A thorough understanding of reaction...
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A new fluorescent probe based on BODIPY for testing NO2 released from propellants
March 2025
After long-term storage, solid propellants often exhibit various aging characteristics. This study presents a strategy for assessing the state of propellants using the Boron-dipyrrole Ni complex (BDP-Ni)...
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Vicinal combination of N—NH2 and C—NO2 benefitting for low sensitivity and high energy azole molecules: A strategy developed from isomerization
March 2025
It is nowadays challenging to create low sensitivity and high energy molecules (LSHEMs), largely restricted by the high complexity and difficult interpretation of composition-structure-property relationships...
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[2+2] and [2+1] cycloaddition of myrcene for synthesis of highly strained bio-fuels with high density and high impulse
March 2025
Developing bio-fuels provides a sustainable strategy to reduce the dependence on finite fossil fuels. But biomass-based fuel molecules usually lack strained structure, resulting in undesirable density...
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A low-cost bionic interface modification strategy for enhancing the safety performance of energetic powders using PCPA@MXene double coating
March 2025
Based on a simple catechol-amine co-precipitation strategy and biomimetic adhesion characteristics, this study prepared a desensitized CL-20@PCPA core-shell energetic powder using the phenolic and amino...
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Quantum chemistry modeling of the unimolecular decomposition mechanism and substituent effects of pyrazolo-tetrazine: A case study of BITE-101
March 2025
4-amino-7,8-dinitropyrazolo-[5,1-d][1,2,3,5]-tetrazine 2-oxide (BITE-101) outperforms the benchmark explosive HMX in all aspects, showing application prospects as a new generation of high energy density...
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A theoretical study on the decomposition of TKX-50 with different vacancy defect concentrations under shock wave loading
March 2025
This study investigated the impacts of different vacancy defect concentrations on the decomposition of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under shock wave loading using the ab...
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Tuning thermal stability and mechanical sensitivity of polynitro compounds via integrating energetic ionic salts
March 2025
Polynitro energetic compounds are a class of oxidant-rich energetic materials, playing a significant role in the field of solid propellants. Generally, an increase in the number of nitro groups present...
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Catalytic effects of substituents in amino and guanidino derivatives of azolo-annelated and 3,6-disubstituted 1,2,4,5-tetrazines
March 2025
This work describes the synthesis of molecular and molecular-ionic derivatives of azolo[1,2,4,5]tetrazines and 1,2,4,5-tetrazines containing amino and guanidino fragments. Experimental and computational...
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Fully-iodinated bridged pyrroles as high thermostable energetic biocidal materials
March 2025
Pyrrole is one of the important versatile skeletons for functional materials, fully-substituted pyrroles can achieve multiple substitutions. But, spatial site resistance effects make its synthesis difficult....
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Atomistic mechanism underlying shock-induced phase transition in HfNbTaTiZr energetic high-entropy alloy
March 2025
Energetic high-entropy alloys (HEAs), known for their exceptional mechanical properties and high energy density attributes, have attracted significant attention in energetic structure materials. However,...
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Atmosphere effects on 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) nanoparticle pyrolysis: A ReaxFF molecular dynamics study
March 2025
1,3,5-Triamino-2,4,6-trinitrobenzene (TATB), an insensitive explosive, is exposed to the atmosphere during manufacture, storage and use, which can lead to changes in energy and sensitivity, particularly...
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On-site trace detection of explosives: From ultra-sensitive SERS to integrated detection technology
March 2025
In light of escalating global tensions and the persistent frequency of terrorist incidents, explosives have caused unpredictable serious environmental problems in the worldwide. The imperative for rapid,...
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Synthesis and characterization of amphoteric salts and azo-bridged heat-resistant explosives with a 1,2,4-triazole framework
March 2025
The formation of anions and cations from amphoteric compounds is an effective method to adjust the properties of amphoteric energetic materials, but there are few reports in the field of energetic materials....
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March 2025
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2- Oxaadamantane-4,8,9,10-tetrayl tetranitrate: A novel oxa-type cage-like energetic compound
Available online 26 March 2025
Polynitrooxaadamantanes have a broad application prospect in the field of energetic materials. Herein, a novel cage-like energetic compound, 2-oxaadamantane-4,8,9,10-tetrayl tetranitrate, was synthesized...
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The effects of isomer ligands on characteristics of novel structural energetic coordination compounds
Available online 23 March 2025
In order to investigate the effect of isomeric ligands on complexes, based on previous work, the energetic coordination compound Cu(2H-4-APZ-5-CA)2(ClO4)4(ECCs-1) was creatively synthesized by using...
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Polynitro 1,2,3-triazole energetic materials with excellent properties through the combination of hydrogen-rich cation and N-amino group
Available online 4 March 2025
The safety of polynitro 1,2,3-triazole energetic materials is improved by introducing hydrogen-rich cation and N-amino group to strengthen the intermolecular hydrogen bond network. 2-Amino-4-nitro-5-dinitromethyl-1H-1,2,3-triazole...
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Understanding how molecular skeletal isomerism affects the stability of fused-ring energetic molecules: A comparative study of ICM-103 and NAPTO
Available online 3 March 2025
For energetic compounds with a specific composition, isomerism represents the significant factor influencing their physicochemical properties. It is therefore becoming increasingly important to gain...
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Theoretical study of the structure and energy performance of nitroformates and mono-, di-, tri- and tetranitromethanes
Available online 28 February 2025
Using the methods of quantum chemistry and atom-atom potentials, the molecular and crystal structure of a number of nitromethanes and their salts was modeled. Their thermochemical characteristics were...
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