Initial decomposition mechanism for the energy release from electronically excited energetic materials: FOX-7 (1,1-diamino-2,2-dinitroethene, C2H4N4O4)

2014 ◽  
Vol 140 (7) ◽  
pp. 074708 ◽  
Author(s):  
Bing Yuan ◽  
Zijun Yu ◽  
Elliot R. Bernstein
Keyword(s):  
Energy Release ◽  
Energetic Materials ◽  
Decomposition Mechanism ◽  
Electronically Excited

Regulating safety and energy release of energetic materials by manipulation of molybdenum disulfide phase

2021 ◽  
Vol 411 ◽  
pp. 128603
Author(s):  
Xu Zhao ◽  
Zijian Li ◽  
Jianhu Zhang ◽  
Feiyan Gong ◽  
Bin Huang ◽  
...  
Keyword(s):  
Energy Release ◽  
Molybdenum Disulfide ◽  
Energetic Materials

Early Thermal Decay of Energetic Hydrogen- and Nitro-Free Furoxan Compounds: The Case of DNTF and BTF

2021 ◽  
Author(s):  
Shuangfei Zhu ◽  
Wei Yang ◽  
Qiang Gan ◽  
Nianshou Cheng ◽  
Changgen Feng
Keyword(s):  
Thermal Decomposition ◽  
Energetic Materials ◽  
Decomposition Mechanism ◽  
Thermal Decomposition Mechanism ◽  
Thermal Decay

Exploring the initial reactions of H-free and nitro-free energetic materials could enrich our understanding into the thermal decomposition mechanism of various energetic materials (EMs). In this work, two furoxan compounds,...

scholarly journals Experimental Study on the Energy-Release Characteristics of Fine-Grained Fe/Al Energetic Jets under Impact Loading

Materials ◽  
2019 ◽  
Vol 12 (20) ◽  
pp. 3317
Author(s):  
Li ◽  
Du
Keyword(s):  
Experimental Data ◽  
Energy Release ◽  
Impact Energy ◽  
Impact Loading ◽  
Energetic Materials ◽  
Chemical Properties ◽  
Microscopic Analysis ◽  
Specific Content ◽  
Fine Grained ◽  
The Impact

The energy released by the active metal phase in fine-grained Fe/Al energetic materials enables the replacement of conventional materials in new types of weapons. This paper describes an experiment designed to study the energy-release characteristics of fine-grained Fe/Al energetic jets under impact loading. By means of dynamic mechanical properties analysis, the physical and chemical properties of Fe/Al energetic materials with specific content are studied, and the preparation process is determined. The energy-release properties of fine-grained Fe/Al jets subject to different impact conditions are studied based on experimental data, and energy-release differences are discussed. The results show that for fine-grained Fe/Al energetic materials to remain active and exhibit high strength, the highest sintering temperature is 550 °C. With increasing impact energy, the energy release of fine-grained Fe/Al energetic jets increases. At an impact-energy threshold of 121.1 J/mm2, the chemical reaction of the fine-grained Fe/Al energetic jets is saturated. The experimental data and microscopic analysis show that when the impact energy reaches the threshold, the energy efficiency ratio of Fe/Al energetic jets can reach 95.3%.

Elucidating the Decomposition Mechanism of Energetic Materials with Geminal Dinitro Groups Using 2-Bromo-2-nitropropane Photodissociation

2013 ◽  
Vol 117 (39) ◽  
pp. 9531-9547 ◽  
Author(s):  
Ryan S. Booth ◽  
Chow-Shing Lam ◽  
Matthew D. Brynteson ◽  
Lei Wang ◽  
Laurie J. Butler
Keyword(s):  
Energetic Materials ◽  
Decomposition Mechanism

Energy Release Characteristics of Impact-Initiated Energetic Materials

2005 ◽  
Vol 896 ◽  
Author(s):  
Richard Ames
Keyword(s):  
Energy Release ◽  
Energetic Materials ◽  
High Strain ◽  
Polymer Binder ◽  
Dynamic Loads ◽  
Metal Powders ◽  
Static Loads ◽  
Material Classification ◽  
Plastic Deformation Process

AbstractImpact-initiated energetic materials are a class of energetic materials that are formulated to release energy under highly dynamic loads. Under quasi-static or static loads, however, the materials are intended to be inert and carry a material classification of 4.1 flammable solid. In general, these materials are formed by introducing metal powders into a polymer binder but a number of binderless varieties exist (primarily pressed/sintered intermetallics and thermites). Most of the materials are sufficiently insensitive so as not to produce a self-sustaining reaction; as such, they require the mechanical work of a high-strain-rate plastic deformation process to provide the energy required to drive the reaction. Traditional initiation techniques such as exploding bridge wires or flame initiation are not sufficient to maintain a reaction in this class of materials. This paper presents a brief overview of the energy release characteristics of this class of materials, including a discussion of the material formulations, initiation phenomena, and a discussion of the manner in which the material properties affect the energy release characteristics.

Aluminum/copper oxide nanostructured energetic materials prepared by solution chemistry and electrophoretic deposition

RSC Advances ◽  
2016 ◽  
Vol 6 (96) ◽  
pp. 93863-93866 ◽  
Author(s):  
Xiang Zhou ◽  
Xiang Ke ◽  
Wei Jiang
Keyword(s):  
Copper Oxide ◽  
Energy Release ◽  
Electrophoretic Deposition ◽  
Energetic Materials ◽  
Solution Chemistry

Al/CuO nanostructured energetic materials with improved energy-release characteristics were prepared by solution chemistry and electrophoretic deposition.

scholarly journals Initial Decomposition Mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under Shock Loading: ReaxFF Parameterization and Molecular Dynamic Study

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4808
Author(s):  
Lixiaosong Du ◽  
Shaohua Jin ◽  
Pengsong Nie ◽  
Chongchong She ◽  
Junfeng Wang
Keyword(s):  
Molecular Dynamic ◽  
Particle Velocity ◽  
Energetic Materials ◽  
Hydrogen Transfer ◽  
Shock Loading ◽  
Computational Cost ◽  
Shock Velocity ◽  
Decomposition Mechanism ◽  
Velocity Equation ◽  
Dissociation Curves

We report a reactive molecular dynamic (ReaxFF-MD) study using the newly parameterized ReaxFF-lg reactive force field to explore the initial decomposition mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under shock loading (shock velocity >6 km/s). The new ReaxFF-lg parameters were trained from massive quantum mechanics data and experimental values, especially including the bond dissociation curves, valence angle bending curves, dihedral angle torsion curves, and unimolecular decomposition paths of 3-Nitro-1,2,4-triazol-5-one (NTO), 1,3,5-Trinitro-1,3,5-triazine (RDX), and 1,1-Diamino-2,2-dinitroethylene (FOX-7). The simulation results were obtained by analyzing the ReaxFF dynamic trajectories, which predicted the most frequent chain reactions that occurred before NTO decomposition was the unimolecular NTO merged into clusters ((C2H2O3N4)n). Then, the NTO dissociated from (C2H2O3N4)n and started to decompose. In addition, the paths of NO2 elimination and skeleton heterocycle cleavage were considered as the dominant initial decomposition mechanisms of NTO. A small amount of NTO dissociation was triggered by the intermolecular hydrogen transfer, instead of the intramolecular one. For α-NTO, the calculated equation of state was in excellent agreement with the experimental data. Moreover, the discontinuity slope of the shock-particle velocity equation was presented at a shock velocity of 4 km/s. However, the slope of the shock-particle velocity equation for β-NTO showed no discontinuity in the shock wave velocity range of 3–11 km/s. These studies showed that MD by using a suitable ReaxFF-lg parameter set, could provided detailed atomistic information to explain the shock-induced complex reaction mechanisms of energetic materials. With the ReaxFF-MD coupling MSST method and a cheap computational cost, one could also obtain the deformation behaviors and equation of states for energetic materials under conditions of extreme pressure.

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