Theoretical advances in understanding and enhancing the thermostability of energetic materials DOI Creative Commons

Runze Liu,

Jian‐Yong Liu, Panwang Zhou

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(41), P. 26209 - 26221

Published: Jan. 1, 2024

The quest for thermally stable energetic materials is pivotal in advancing the safety of applications ranging from munitions to aerospace.

Language: Английский

Bimetallic MOFs-derived CoFe/Fe/C particles prepared by explosion and pyrolysis methods for electromagnetic wave absorption DOI
Xuefang Cao, Wenxin Liu,

YunPeng Ma

et al.

Journal of Alloys and Compounds, Journal Year: 2024, Volume and Issue: 1002, P. 175274 - 175274

Published: June 20, 2024

Language: Английский

Citations

4
Energetic Materials Photolysis Footprint in High-Order Harmonic Generation DOI

Xinyue Xie,

Wei-Wei Yu,

Yao Xiao

et al.

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 6, 2025

Photolysis of energetic materials offers safer and more controllable advantages compared to traditional ignition methods. Tracking the group electron dynamics during photolysis is currently a hot challenging topic. In this work, we used time-dependent density functional theory (TDDFT) study high-order Harmonic generation (HHG) induced by strong laser interaction with an isolated CH

Language: Английский

Citations

0
Mechanistic Analysis and Performance Comparison of Core-Shell Assembled Novel Molecular Perovskite Energetic Materials in Htpb Propellant DOI

Huanhuan Gao,

Jianzhong Liu, Zhihao Sun

et al.

Published: Jan. 1, 2025

In-situ assembly of three molecular perovskite energetic materials (DAP-2, DAP-4, and DAN-2) with ammonium perchlorate as a core-shell eutectic oxidizer, the performance mechanism HTPB propellant was investigated. This comprehensive study examined thermal decomposition behavior combustion-agglomeration characteristics oxidizers under pressures ranging from 0.1 to 8.0 MPa. Experimental results demonstrated that synthesized exhibited significant redox reactions during combustion within propellant. The were accompanied by release superoxide ions, which notably enhanced energy release. structure improved interfacial contact, leading increased heat mass transfer efficiency. As result, shorter times burning rates observed, DAP-4 demonstrating best overall among five materials. Additionally, average agglomerate sizes (D50) for RDX-, HMX-, DAP-2-, DAP-4-, DAN-2-based propellants near surface 161.11 μm, 92.51 40.64 30.30 41.16 respectively. agglomeration degree based on significantly lower than RDX HMX-based propellants. reduction in is attributed thin molten skeleton layer high-temperature oxidizing gases produced oxidizers, effectively suppressed aluminum particle surface. dual ultimately resulted enhancement performance.

Language: Английский

Citations

0
The Microstructures, Mechanical Properties, and Energetic Characteristics of a Novel Dual-Phase Ti40Zr40W10Mo10 High-Entropy Alloy DOI Open Access

Yuxian Cao,

Ruming Geng,

Cheng Yang

et al.

Materials, Journal Year: 2025, Volume and Issue: 18(2), P. 366 - 366

Published: Jan. 15, 2025

High-energy structural materials (ESMs) integrate a high energy density with rapid release, offering promising applications in advanced technologies. In this study, novel dual-phase Ti40Zr40W10Mo10 high-entropy alloy (HEA) was synthesized and evaluated as potential ESM. The exhibited body-centered cubic (BCC) matrix Mo-W-rich BCC precipitates of varying sizes, which increased proportionally the W content. compressive mechanical properties were assessed across range strain rates, revealing that W10 HEA sustained strength 2300 MPa at rate 3000 s−1. This exceptional performance is attributed to uniform distribution circular precipitates. Conversely, W13 HEA, aggregated large deteriorated its dynamic properties. Furthermore, deflagration behavior observed during deformation W10, highlighting high-performance

Language: Английский

Citations

0
Capturing High-Energy Polymeric Nitrogen Structures Stabilized by Lutetium at Ambient Conditions DOI
Ran Liu, Miao Yu,

H.Z. Zhang

et al.

Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 31, 2025

Polynitrogen with high energy and environmental friendliness has exhibited potential application in military civilian fields. In this study, first-principle calculations were employed to conduct a comprehensive investigation of the nitrogen-rich Lu-N compounds. The research yielded ten novel polynitrides: P21/c-LuN2, P1̅-LuN3, P1̅-LuN4, P21/m-LuN4, P1̅-LuN5, P1̅-LuN6, P1̅-LuN8, Cm-LuN9, I4/m-LuN10, Cmcm-LuN10. It is noteworthy that two polymeric nitrogen structures have been observed our prediction: an infinite tripodic-N4 chain formed heart-shaped N12 ring band Cm-LuN9. Excellent stabilities calculated compounds; P21/m-LuN4 P1̅-LuN8 are quenchable under ambient conditions. Meanwhile, polynitrogen P1̅-LuN6 Cm-LuN9 decompose into thermally stable N6 rings N-chains conditions, respectively. Cmcm-LuN10 thermodynamically due its symmetry efficient packing chain-like N10 cage. Moreover, compounds, which display favorable density (mass (Ed) = 1.60-3.59 kJ/g; volumetric (EV) 11.32-15.65 kJ/cm3), prospective candidates for environmentally friendly high-energy materials. These results provide good theoretical guide experimental synthesis new energetic

Language: Английский

Citations

0
Thermal Hazard Assessment of the Synthesis of 1,1′-Azobis-1,2,3-triazole DOI

Hao Li,

Jason Wu, Guangyuan Zhang

et al.

Organic Process Research & Development, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 19, 2025

Language: Английский

Citations

0
Advancements in energetic metal-organic frameworks, alkali and alkaline earth metal salts, and transition metal complexes: Predictive models for detonation velocity, heat, and pressure DOI Creative Commons
Mohammad Hossein Keshavarz,

Nasser Hassanzadeh,

Mohammad Jafari

et al.

Defence Technology, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

Citations

0
Mechanistic analysis and performance comparison of core-shell assembled molecular perovskite energetic materials in HTPB propellant DOI

Huanhuan Gao,

J. L. Liu,

Zhihao Sun

et al.

Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 180040 - 180040

Published: March 1, 2025

Language: Английский

Citations

0
Design and computational screening of high-energy, low-sensitivity bistetrazole-based energetic molecules DOI Creative Commons

Peihao Cheng,

Yunhe Jin, Dongqi Wang

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(15), P. 11645 - 11654

Published: Jan. 1, 2025

This study combined quantum chemical calculations and machine learning models to identify three bistetrazole-based energetic molecules with high potential from a set of 35 322 molecules.

Language: Английский

Citations

0
Harnessing machine learning enabled quickly predicting density of CHON molecules for discovering new energetic materials DOI Creative Commons

Ruoxu Zong,

Zi Li, Ziyu Hu

et al.

AIP Advances, Journal Year: 2025, Volume and Issue: 15(4)

Published: April 1, 2025

The application of machine learning in the research and development energetic materials is becoming increasingly widespread for performance prediction inverse design. Many advances have been achieved, especially discovery various new materials. However, main properties such as data acquisition, molecular characterization, limitations objects insufficient. Density, a critical factor influencing detonation materials, difficult to predict with high precision speed at large scale. In this study, techniques are employed density CHNO result explore simultaneously possessing stability. By screening dataset 16 548 candidate molecules, 175 potential high-performance molecules were identified. Among candidates, it noted that molecule velocity 7.328 Km/s pressure 24.48 GPa was which comparable TNT. study shows transformative accelerating novel vital diverse applications optimized expected accelerate next-generation

Language: Английский

Citations

0