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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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Micro defect characterization of micro-CT images of PBX using deep learning and image processing method
Available online 20 February 2025
Polymer bonded explosive (PBX) is a composite explosive mainly made up of explosive crystals and binders. The presence of cracks and impurities within PBX impacts its mechanical properties and detonation...
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Region distribution of PTFE/Al-Ti composite jet and its penetration-deflagration damage mechanism for multi-spaced targets
Available online 23 January 2025
The reactive material-metal composite jet has received increasing attention due to the dual penetration-deflagration enhancement effect from high penetration of metal and deflagration reaction of Al...
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Electrochemical nitration to synthesize 1,3,4- trinitropyrazole
Available online 10 January 2025
To explore a sustainable nitration method for energetic materials, thereby mitigating the risks associated with the use of strong acids and oxidants typically employed in conventional synthesis. The...
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Advancing thermal stability through positional pyrazole isomerization: Synthesis and characterization of 2’-(1H-pyrazol-4-yl)-1H,2’H-5,5’-bistetrazole and its energetic derivatives
Available online 6 January 2025
The development of energetic compounds with superior comprehensive properties remains a central focus in energetic materials research. By employing positional pyrazole isomerization, we have successfully...
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Anisotropic shock response in oriented omnidirectional TATB supercells based on reactive molecular dynamics simulations
December 2024
1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) is a highly insensitive energetic material used in applications where extreme safety is required primarily. Ensuring the safe use of TATB as planned relies...
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Micromechanical models and experiments for diffractive elastic constants of TATB-based polymer-bonded explosives
December 2024
TATB-based polymer-bonded explosives (PBXs) exhibit intricate internal stress distributions due to crystal anisotropy. When diffraction techniques are employed to measure these internal residual stresses,...
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Shock reaction model for impact energy release behavior of Al/PTFE reactive material
December 2024
Metal/polymer reactive materials are inert under normal temperature and pressure conditions and possess a certain level of structural strength, allowing them to be fabricated into components such as...
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A density functional theory investigation of the substituent effect on acyclovir and guanine derivatives for applications on energetic materials
December 2024
The main challenge in designing new energetic materials is to find a good balance between four seemingly incompatible requirements, namely, high-energy content, low sensitivity, low production costs...
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Machine learning-assisted quantitative prediction of thermal decomposition temperatures of energetic materials and their thermal stability analysis
December 2024
In this study, machine learning (ML)-assisted regression modeling was conducted to predict the thermal decomposition temperatures and explore the factors that correlate with the thermal stability of...
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December 2024
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Effects of the crystallinity of fluoropolymer binders components in polymer-bonded explosives on shock Hugoniots: A computational study
December 2024
Fluoropolymers play a crucial role as binders in polymer-bonded explosive (PBX) formulations. However, there is a lack of clear understanding of the effects of increased fluoropolymer crystallinity...
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EM Database v1.0: A benchmark informatics platform for data-driven discovery of energetic materials
December 2024
Large-scale data demonstrates great significance for the discovery of novel energetic materials (EMs). However, the open-source databases of EMs are not readily available. In pursuit of high-performance...
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Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning
December 2024
In this work, a high-throughput computation (HTC) and machine learning (ML) combined method was applied to identify the determining factors of the detonation velocity (vd) and detonation pressure (pd)...
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Quantifying the influence of dispersion interactions on the elastic properties of energetic NTO polymorphs
Available online 29 November 2024
3-Nitro-1,2,4-triazole-5-one (NTO) is a promising energetic compound with high energy and low sensitivity. Herein, the elastic properties of three NTO polymorphs are studied using dispersion-corrected...
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Research progress of energetic coordination complexes with laser ignition performance
Available online 29 November 2024
In recent years, laser ignition technology has aroused great attention due to its advantages of simple operation, high safety and strong anti-electromagnetic interference ability. One of the key factors...
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Constructing high-performance and stable energetic salts through enhanced conjugation and increased hydrogen bonds
Available online 20 November 2024
The pursuit of novel energetic materials with enhanced energy and safety represents an enduring challenge. Towards this goal, we employed the energetic salts to design and synthesize a metal salt (1)...
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Storage stability and safe storage life assessments of gradiently denitrated spherical gun propellants
Available online 30 September 2024
As a new type of gun propellant, Gradiently denitrated spherical gun propellants (GDSP) demonstrate excellent progressive combustion performance and clean combustion performance. However, its unknown...
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