Constructing advanced pyrazole-based energetic materials via direct hydrazine substitution of a heterocyclic C–NH2 bond
Available online 16 April 2026
Overcoming the inertness of the C-NH2 bond in heterocyclic amines remains a fundamental challenge in synthetic chemistry. Here, we report the first direct hydrazine substitution of a heterocyclic amine,...
On the prediction of the peak overpressure of ground reflected wave using a physics-informed weighted neural network
Available online 15 April 2026
Accurately estimating the parameters of explosion shock waves is crucial for explosion hazard assessment and blast-resistant structure design. Traditional simulation methods, such as computational fluid...
Core-shell-shell Mg0.5Al0.5B2-based energetic composite with dual-stage energy release and reduced sensitivity
Available online 15 April 2026
High-performance energetic materials with rapid ignition, efficient heat release, and enhanced safety are urgently needed in propulsion and precision strike systems. Herein, a Mg0.5Al0.5B2-based core-shell-shell...
Nitrogen connectivity-dependent decomposition mechanisms of bistetrazole derivatives: Insight from DFT and coupled cluster calculations
Available online 8 April 2026
Bistetrazoles present a promising class of polynitrogen energetic materials. To investigate the relationship between nitrogen chain configuration and thermal decomposition behavior, this work employs...
Exploring Co3O4@NiMoO4 for the photoelectrocatalytic synthesis of energetic 5,5′-azotetrazole disodium salt
Available online 4 April 2026
The green synthesis of energetic materials (EMs) is a challenging and critical research direction. Herein, we develop a Co3O4@ NiMoO4 heterojunction photoanode for the photoelectrocatalytic (PEC) oxidation...
Synthesis of polycyclic hydrocarbon high-density aviation fuel via one-pot alkyation/hydrogenation by acetic acid modified HY-20 and Pd/C
Available online 2 April 2026
High-density aviation fuel is a kind of liquid propellant that is widely used in the aerospace industry, with significant applications in both civil and military fields. In the study, a series of polycyclic...
Effect of transition metal oxides (CuO, Fe2O3, Bi2O3) on the combustion and thermal decomposition of potassium nitrate-based molecular perovskite energetic material
Available online 1 April 2026
Ammonium perchlorate (AP)-based molecular perovskite energetic materials have attracted widespread interest due to their superior detonation properties. However, environmental concerns regarding perchlorate...
Automatic detection, segmentation, and characterization of 3-nitro-1,2,4-triazol-5-one (NTO) crystal particles during cooling crystallization using deep learning
March 2026
The complex cooling crystallization process of 3-nitro-1,2,4-triazol-5-one (NTO) directly affects its performance. The introduction of process analysis technology is expected to provide an effective...
UV-curing 3D printing of composite energetic materials and its challenges
March 2026
While 3D printing technologies based on various curing methods like thermal curing, photopolymerization, solvent evaporation molding, and melt cooling have been extensively studied in the field of composite...
Synergistic dual dynamic bonds for enhanced self-repair performance in HTPB binders
March 2026
Energetic materials serve as critical energy sources for weapon systems and equipment. During manufacturing and storage processes, microcracks may form in these materials, posing significant safety...
Corrosion inhibition mechanism and corrosion prediction models of NTO-based PBX against medium carbon steel
March 2026
Polymer-bonded explosive (PBX) systems incorporating 3-nitro-1,2,4-triazol-5-one (NTO) have attracted significant research interest due to their excellent insensitive properties and detonation characteristics....
A bi-alkyl-bridge strategy for highly thermally stable tetrazoles via enhanced conjugation
March 2026
In this study, we introduced the “bi-alkyl-bridge” strategy to synthesize a bi-alkyl-bridged cyclotetrazole energetic material. This method improves the stability by introducing an alkyl bridge at the...
Dynamic mechanical analysis and molecular structure analysis of an energetic thermoplastic elastomer
March 2026
This study investigates the dynamic mechanical properties and molecular relaxation mechanisms of glycidyl azide polymer-based energetic thermoplastic elastomer (GAP-ETPE) through dynamic mechanical...
Revealing reaction kinetics in ammonium perchlorate (AP) combustion using an EM-HyChem approach
March 2026
The combustion kinetics of ammonium perchlorate (AP), a key oxidizer in solid propellants, remain debated due to the complexity of its solid-phase decomposition. In this study, the reaction kinetics...
Modification of electrostatic sensitivity by the resonant absorption of N-N bond under carbon dioxide laser irradiation
March 2026
Quantitatively modulating sensitivity of the energetic materials while minimizing detonation energy impact is a persistent challenge as conventional modification methods often sacrifice energy output....
Construction of high energy density azasydnone-pyrazole compounds
March 2026
The search for advanced energetic materials has shifted beyond traditional groups like nitro to explore non-conventional explosophores. Among these, the azasydnone ring stands out, combining a zero-oxygen...
Tuning energy properties via N-NH2 strategy: Construction of two isomeric energetic compounds based on nitro-substituted pyrazoles
March 2026
The N-site functionalization strategy of nitrogen-rich heterocycles has attracted considerable research attention due to its crucial role in achieving structural diversity and outstanding performance...
Thermal decomposition mechanism of nitroguanidine via a chemical reaction neural network and experiments
March 2026
Nitroguanidine (NQ) plays a central role in aerospace and industrial fields, and a deep understanding of its dynamic behavior and reaction mechanisms is crucial for accurately predicting its combustion...
Beyond conventional activation barriers: synergistic QM-MD/DFT exploration of fluorinated oxidizer-enhanced hydrocarbon decomposition
March 2026
Hydrocarbon fuels are a major focus of fuel application and research due to the high volumetric calorific value. The addition of ClF3O with strong oxidizability as an initiator in fuels is considered...
Mechanisms of jet formation and energy release in aluminized explosives: A DEM-FDM study
March 2026
Understanding the coupled jet dynamics and afterburning reaction of aluminum particles in aluminized explosives remains a challenge due to the ultra-fast interaction, surpassing the resolution capabilities...
N-functionalization of 3,4-dinitro-1H-pyrazol-5-amine (ADNP): Incorporating nitromethyl and diazidomethyl into energetic pyrazole derivatives
March 2026
In the field of energetic materials, N-functionalization on pyrazoles faces challenges such as low nucleophilicity and harsh reaction conditions. In this study, the N-functionalization on 5-amino-3,4-dinitropyrazole...
Three-dimensional microstructural characterization of HMX-based propellant via synchrotron X-ray tomography
March 2026
Although octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) plays a critical role in high-performance weapon systems, its microstructural behavior within the grains of solid propellants and PBXs...
Cover Story
March 2026
Design and characterization of multi-point exploding foil initiator system for directional warheads
Available online 30 March 2026
An exploding foil multi-point synchronous initiation system was designed to achieve directional output of a warhead. Six columns of initiation points were uniformly arranged along the circumferential...