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Crystals
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Advanced Energetic Materials: Testing and Modeling
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Advanced Energetic Materials: Testing and Modeling

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".

Deadline for manuscript submissions: closed (15 December 2022) | Viewed by 23898

Printed Edition Available!
A printed edition of this Special Issue is available here.

Special Issue Editors

Dr. Rui Liu

E-Mail Website
Guest Editor
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China
Interests: energetic materials; dynamic behavior; safety assessment; multiscale modeling
Dr. Yushi Wen

E-Mail Website
Guest Editor
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China
Interests: energetic materials; non-shock ignition; safety assessment; MD simulation
Dr. Weiqiang Pang

E-Mail Website
Guest Editor
Xi’an Modern Chemistry Research Institute, Xi’an 710065, China
Interests: composite energetic materials; nanoscale energetic materials (nEMs); microscale energetic materials (mEMs); ignition; combustion; thermal decomposition; deflagration and detonation; energetic formulation

Special Issue Information

Dear Colleagues,

Energetic Materials (EMs) are a traditional branch of materials. Recently, the demand for industrial and defense applications for energetic materials, including pyrotechnics, explosives, and propellants, has inspired new developments in this field. The occurrence of advanced energetic materials in particular offers a unique new opportunity to improve the performance of energetic formulations. To accelerate the potential applications, various works have focused on the physical and chemical characteristics through theory, experiments, and simulations. The aim of this issue is to collect comprehensive knowledge on materials synthesis, characterization, combustion, mechanical, detonation, and safety. The topics of interest include but are not limited to:

  • New energetic materials
  • Nanoscale energetic materials (nEMs)
  • Microscale energetic materials (mEMs)
  • New experimental methods
  • Advanced diagnostics
  • Energetic formulations
  • Thermophysical properties of energetic materials
  • Thermal decomposition of energetic materials
  • Mechanical property under extreme conditions
  • Combustion of energetic materials
  • Non-shock ignition of energetic materials
  • Shock ignition of energetic materials
  • Initiation criterion and modeling
  • Multiscale modeling
  • Application of advanced energetic materials

Dr. Rui Liu
Dr. Yushi Wen
Dr. Weiqiang Pang
Guest Editors

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • new energetic materials
  • Nanoscale energetic materials (nEMs)
  • Microscale energetic materials (mEMs)
  • new experimental methods
  • advanced diagnostics
  • energetic formulations
  • thermophysical properties of energetic materials
  • thermal decomposition of energetic materials
  • mechanical property under extreme conditions
  • combustion of energetic materials
  • non-shock ignition of energetic materials
  • shock ignition of energetic materials
  • initiation criterion and modeling
  • multiscale modeling
  • application of advanced energetic materials

Published Papers (15 papers)

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Editorial

Jump to: Research, Review, Other

5 pages, 185 KiB  
Editorial
Advanced Energetic Materials: Testing and Modeling
by Rui Liu, Yushi Wen and Weiqiang Pang
Crystals 2023, 13(7), 1100; https://doi.org/10.3390/cryst13071100 - 14 Jul 2023
Cited by 1 | Viewed by 1134
Abstract
Energetic Materials (EMs) are a traditional branch of materials [...] Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)

Research

Jump to: Editorial, Review, Other

20 pages, 16682 KiB  
Article
Study and Design of the Mitigation Structure of a Shell PBX Charge under Thermal Stimulation
by Jiahao Liang, Jianxin Nie, Rui Liu, Ming Han, Gangling Jiao, Xiaole Sun, Xiaoju Wang and Bo Huang
Crystals 2023, 13(6), 914; https://doi.org/10.3390/cryst13060914 - 5 Jun 2023
Cited by 1 | Viewed by 849
Abstract
To study the design method and pressure relief effect of the mitigation structure of a shell under the action of thermal stimulation, a systematic research method of theoretical calculation-simulation-experimental verification of the mitigation structure was established. Taking the shelled PBX charge as the [...] Read more.
To study the design method and pressure relief effect of the mitigation structure of a shell under the action of thermal stimulation, a systematic research method of theoretical calculation-simulation-experimental verification of the mitigation structure was established. Taking the shelled PBX charge as the test material, the pressure relief area that can effectively reduce the reaction intensity of the charge is obtained by theoretical calculation. The influence of the pressure relief hole area, distribution mode, and other factors on the pressure relief effect is calculated by simulation. The pressure relief effect of the mitigation structure was verified by the low-melting alloy plug with refined crystal structure for sealing the pressure relief hole and the cook-off test. The research results show that the critical pressure relief area is when the ratio of the area of the pressure relief hole to the surface area of the charge is AV/SB = 0.0189. When the number of openings increases to 6, the required pressure relief coefficient decreases to AV/SB = 0.0110; When the length/diameter ratio is greater than 5, the opening at one end cannot satisfy the reliable pressure relief of the shell. The designed low-melting-point alloy mitigation structure can form an effective pressure relief channel. With the increase in AV/SB from 0.0045 to 0.0180, the reaction intensity of the cook-off bomb is significantly reduced in both fast and slow cook-off, which improves the safety of the charge when subjected to unexpected thermal stimulation. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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19 pages, 6881 KiB  
Article
Experiment and Numerical Simulation on Friction Ignition Response of HMX-Based Cast PBX Explosive
by Junming Yuan, Yue Qin, Hongzheng Peng, Tao Xia, Jiayao Liu, Wei Zhao, Hu Sun and Yan Liu
Crystals 2023, 13(4), 671; https://doi.org/10.3390/cryst13040671 - 13 Apr 2023
Cited by 2 | Viewed by 1460
Abstract
In order to study the ignition process and response characteristics of cast polymer-bonded explosives (PBX) under the action of friction, HMX-based cast PBX explosives were used to carry out friction ignition experiments at a 90° swing angle and obtain the critical ignition loading [...] Read more.
In order to study the ignition process and response characteristics of cast polymer-bonded explosives (PBX) under the action of friction, HMX-based cast PBX explosives were used to carry out friction ignition experiments at a 90° swing angle and obtain the critical ignition loading pressure was 3.7 MPa. Combined with the morphology characterization results of HMX-based cast PBX, the friction temperature rise process was numerically simulated at the macro and micro scale, and the ignition characteristics were judged. The accuracy of the numerical simulation results was ensured based on the experiment. Based on the thermal–mechanical coupling algorithm, the mechanical–thermal response of HMX-based cast PBX tablet under friction was analyzed from the macro scale. The results show that the maximum temperature rise is 55 °C, and the temperature rise of the whole tablet is not enough to ignite the explosive. Based on the random circle and morphology characterization results of tablet, the mesoscopic model of HMX-based cast PBX was constructed, and the microcrack friction formed after interface debonding was introduced into the model. The temperature rise process at the micro scale shows that HMX crystal particles can be ignited at a temperature of 619 K under 4 MPa hydraulic pressure loaded by friction sensitivity instrument. The main reason for friction ignition of HMX-based cast PBX is the friction hot spot generated by microcracks formed after interface damage of the tablet mesoscopic model, and the external friction heat between cast PBX tablet and sliding column has little effect on ignition. External friction affects the ignition of HMX-based cast PBX by influencing the formation of internal cracks and the stress at microcracks. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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15 pages, 5879 KiB  
Article
Simulation Analysis of the Safety of High-Energy Hydroxyl-Terminated Polybutadiene (HTPB) Engine under the Impact of Fragments
by Zheng Liu, Jianxin Nie, Wenqi Fan, Jun Tao, Fan Jiang, Tiejian Guo and Kun Gao
Crystals 2023, 13(3), 394; https://doi.org/10.3390/cryst13030394 - 24 Feb 2023
Cited by 2 | Viewed by 1258
Abstract
The safety of solid rocket engine use seriously affects the survivability and combat effectiveness of weaponries. To study the engine safety against fragment in complex battlefield environments, the fragment impact safety simulation study of a high-energy four-component HTPB propellant solid engine (hereafter referred [...] Read more.
The safety of solid rocket engine use seriously affects the survivability and combat effectiveness of weaponries. To study the engine safety against fragment in complex battlefield environments, the fragment impact safety simulation study of a high-energy four-component HTPB propellant solid engine (hereafter referred to as high-energy HTPB propellant engine) was conducted. The equation of state parameters and reaction rate equation parameters of the detonation product of high-energy HTPB propellant were calibrated by using a 50 mm diameter cylinder test and Lagrange test combined with genetic algorithm. The nonlinear dynamics software LS-DYNA was used to build a finite element model of the fragment impact engine and simulate the mechanical response of the high-energy HTPB propellant under different operating conditions. This study shows that the critical detonation velocity decreases with the increase of the number of fragments. When the number of fragments is more than 5, the influence of this factor on the critical detonation velocity is no longer obvious. Under the same loading strength conditions, the greater the metal shell strength and the greater the shell wall thickness, the more difficult it is for the high-energy HTPB propellant to be detonated by the shock. This study can provide a reference for the design and optimization analysis of solid rocket engine fragment impact safety. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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10 pages, 3859 KiB  
Article
Experiment and Molecular Dynamic Simulation on Performance of 3,4-Bis(3-nitrofurazan-4-yl)furoxan (DNTF) Crystals Coated with Energetic Binder GAP
by Yue Qin, Junming Yuan, Hu Sun, Yan Liu, Hanpeng Zhou, Ruiqiang Wu, Jinfang Chen and Xiaoxiao Li
Crystals 2023, 13(2), 327; https://doi.org/10.3390/cryst13020327 - 15 Feb 2023
Cited by 2 | Viewed by 1065
Abstract
To investigate the crystallization of DNTF in modified double-base propellants, glycidyl azide polymer (GAP) was used as the coating material for the in situ coating of DNTF, and the performance of the coating was investigated to inhibit the crystallization. The results show that [...] Read more.
To investigate the crystallization of DNTF in modified double-base propellants, glycidyl azide polymer (GAP) was used as the coating material for the in situ coating of DNTF, and the performance of the coating was investigated to inhibit the crystallization. The results show that GAP can form a white gel on the surface of DNTF crystals and has a good coating effect which can significantly reduce the impact sensitivity and friction sensitivity of DNTF. Molecular dynamics was used to construct a bilayer interface model of GAP and DNTF with different growth crystal surfaces, and Molecular dynamics calculations of the binding energy and mechanical properties of the composite system were carried out. The results showed that GAP could effectively improve the mechanical properties of DNTF. The values of K/G, γ and ν are higher than those of DNTF crystals, and the values of C12-C44 are positive, indicating that GAP can improve DNTF ductility while also improving toughness. Combining the experimental results with the simulation calculations, energetic binder GAP can be referred to as a better cladding layer for DNTF, which is feasible for inhibiting the DNTF crystallization problem in propellants. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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0 pages, 5178 KiB  
Article
Burning Rate Prediction of Solid Rocket Propellant (SRP) with High-Energy Materials Genome (HEMG)
by Weiqiang Pang, Victor Abrukov, Darya Anufrieva and Dongping Chen
Crystals 2023, 13(2), 237; https://doi.org/10.3390/cryst13020237 - 30 Jan 2023
Cited by 4 | Viewed by 1983 | Correction
Abstract
High-energy materials genome (HEMG) is an analytical and calculation tool that contains relationships between variables of the object, which allows researchers to calculate the values of one part of the variables through others, solve direct and inverse tasks, predict the characteristics of non-experimental [...] Read more.
High-energy materials genome (HEMG) is an analytical and calculation tool that contains relationships between variables of the object, which allows researchers to calculate the values of one part of the variables through others, solve direct and inverse tasks, predict the characteristics of non-experimental objects, predict parameters to obtain an object with desired characteristics and execute virtual experiments for conditions which cannot be organized or have difficultly being organized. HEMG is based on experimental data on the burning rate of various high-energy materials (HEMs) under various conditions, on the metadata on the quantum and physicochemical characteristics of HEMs components as well as on thermodynamic characteristics of HEMs as a whole. The history and current status of the emergence of HEMG are presented herein. The fundamental basis of the artificial neural networks (ANN) as a methodological HEMG base, as well as some examples of HEMG conception used to create multifactor computational models (MCM) of solid rocket propellants (SRP) combustion, is presented. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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10 pages, 1478 KiB  
Article
Micromagnetic Simulation of Increased Coercivity of (Sm, Zr)(Co, Fe, Cu)z Permanent Magnets
by Mark V. Zheleznyi, Natalia B. Kolchugina, Vladislav L. Kurichenko, Nikolay A. Dormidontov, Pavel A. Prokofev, Yuriy V. Milov, Aleksandr S. Andreenko, Ivan A. Sipin, Andrey G. Dormidontov and Anna S. Bakulina
Crystals 2023, 13(2), 177; https://doi.org/10.3390/cryst13020177 - 19 Jan 2023
Cited by 1 | Viewed by 1202
Abstract
The finite element micromagnetic simulation is used to study the role of complex composition of 2:17R-cell boundaries in the realization of magnetization reversal processes of (Sm, Zr)(Co, Cu, Fe)z alloys intended for high-energy permanent magnets. A modified sandwich model is considered for [...] Read more.
The finite element micromagnetic simulation is used to study the role of complex composition of 2:17R-cell boundaries in the realization of magnetization reversal processes of (Sm, Zr)(Co, Cu, Fe)z alloys intended for high-energy permanent magnets. A modified sandwich model is considered for the combinations of 2:7R/1:5H phase and 5:19R/1:5H phase layers as the 2:17R-cell boundaries in the alloy structure. The results of the simulation represented in the form of coercive force vs. total width of cell boundary showed the possibility of reaching the increased coercivity at the expense of 180°-domain wall pinning at the additional barriers within cell boundaries. The phase and structural states of the as-cast Sm1-xZrx(Co0.702Cu0.088Fe0.210)z alloy sample with x = 0.13 and z = 6.4 are studied, and the presence of the above phases in the vicinity of the 1:5H phase was demonstrated. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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12 pages, 3436 KiB  
Article
Preparation and Properties of RDX@FOX-7 Composites by Microfluidic Technology
by Jin Yu, Hanyu Jiang, Siyu Xu, Heng Li, Yiping Wang, Ergang Yao, Qing Pei, Meng Li, Yang Zhang and Fengqi Zhao
Crystals 2023, 13(2), 167; https://doi.org/10.3390/cryst13020167 - 18 Jan 2023
Cited by 3 | Viewed by 3686
Abstract
1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) is a type of high energy explosive, its application in weapon systems is limited by its high mechanical sensitivity. At the same time, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a famous insensitive explosive. The preparation of RDX@FOX-7 composites can meet the requirements, high energy [...] Read more.
1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) is a type of high energy explosive, its application in weapon systems is limited by its high mechanical sensitivity. At the same time, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a famous insensitive explosive. The preparation of RDX@FOX-7 composites can meet the requirements, high energy and low sensitivity, of the weapon systems. It is difficult for the reactor to achieve uniform quality of composite material, which affects its application performance. Based on the principle of solvent-anti-solvent, the recrystallization process was precisely controlled by microfluidic technology. The RDX@FOX-7 composites with different mass ratios were prepared. At the mass ratio of 10%, the RDX@FOX-7 composites are ellipsoid of about 15 μm with uniform distribution and quality. The advantages of microscale fabrication of composite materials were verified. The results of structure characterization showed that there is no new bond formation in RDX@FOX-7, but the distribution of two components on the surface of the composite was uniform. Based on the structure characterization, we established the structure model of RDX@RDX-7 and speculated the formation process of the composites in microscale. With the increase of FOX-7 mass ratios, the melting temperature of RDX was advanced, the thermal decomposition peak of RDX changed to double peaks, and the activation energy of RDX@FOX-7 composite decreased. These changes were more pronounced between 3 and 10% but not between 10 and 30%. The ignition delay time of RDX@FOX-7 was shorter than that of RDX and FOX-7. RDX@FOX-7 burned more completely than RDX indicating that FOX-7 can assist heat transfer and improve the combustion efficiency of RDX. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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11 pages, 2598 KiB  
Article
Characterization and Analysis of Micromechanical Properties on DNTF and CL-20 Explosive Crystals
by Hai Nan, Yiju Zhu, Guotao Niu, Xuanjun Wang, Peipei Sun, Fan Jiang and Yufan Bu
Crystals 2023, 13(1), 35; https://doi.org/10.3390/cryst13010035 - 25 Dec 2022
Cited by 2 | Viewed by 1140
Abstract
To study the crystal mechanical properties of 3,4-dinitrofurazanofuroxan (DNTF) and hexanitrohexaazaisowurtzitane (CL-20) deeply, the crystals of DNTF and CL-20 were prepared by the solvent evaporation method. The crystal micromechanical loading procedure was characterized by the nanoindentation method, and then obtained the mechanical parameters. [...] Read more.
To study the crystal mechanical properties of 3,4-dinitrofurazanofuroxan (DNTF) and hexanitrohexaazaisowurtzitane (CL-20) deeply, the crystals of DNTF and CL-20 were prepared by the solvent evaporation method. The crystal micromechanical loading procedure was characterized by the nanoindentation method, and then obtained the mechanical parameters. In addition, the crystal fracture behaviors were investigated with scanning probe microscopy (SPM). The results show that the hardness for DNTF and CL-20 was 0.57 GPa and 0.84 GPa, and the elastic modulus was 10.34 GPa and 20.30 GPa, respectively. CL-20 obviously exhibits a higher hardness, elastic modulus and local energy-dissipation and a smaller elastic recovery ability of crystals than those of DNTF. CL-20 crystals are more prone to cracking and have a lower fracture toughness value than DNTF. Compared to DNTF crystals, CL-20 is a kind of brittle material with higher modulus, hardness and sensitivity than that of DNTF, making the ignition response more likely to happen. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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11 pages, 3217 KiB  
Article
A Novel Understanding of the Thermal Reaction Behavior and Mechanism of Ni/Al Energetic Structural Materials
by Kunyu Wang, Peng Deng, Rui Liu, Chao Ge, Haifu Wang and Pengwan Chen
Crystals 2022, 12(11), 1632; https://doi.org/10.3390/cryst12111632 - 13 Nov 2022
Cited by 4 | Viewed by 1293
Abstract
Ni/Al energetic structural materials have attracted much attention due to their high energy release, but understanding their thermal reaction behavior and mechanism in order to guide their practical application is still a challenge. We reported a novel understanding of the thermal reaction behavior [...] Read more.
Ni/Al energetic structural materials have attracted much attention due to their high energy release, but understanding their thermal reaction behavior and mechanism in order to guide their practical application is still a challenge. We reported a novel understanding of the thermal reaction behavior and mechanism of Ni/Al energetic structural materials in the inert atmosphere. The reaction kinetic model of Ni/Al energetic structural materials with Ni:Al molar ratios was obtained. The effect of the Ni:Al molar ratios on their thermal reactions was discussed based on the products of a Ni/Al thermal reaction. Moreover, depending on the melting point of Al, the thermal reaction stages were divided into two stages: the hard contact stage and soft contact stage. The liquid Al was adsorbed on the surface of Ni with high contact areas, leading in an aggravated thermal reaction of Ni/Al. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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16 pages, 4786 KiB  
Article
Ignition Growth Characteristics of JEOL Explosive during Cook-Off Tests
by Xinyu Wang, Chunlan Jiang, Zaicheng Wang, Wenxing Lei and Yuande Fang
Crystals 2022, 12(10), 1375; https://doi.org/10.3390/cryst12101375 - 28 Sep 2022
Cited by 1 | Viewed by 1789
Abstract
In order to study the reaction growth process of insensitive JEOL explosive after ignition under cook-off, a series of cook-off tests were carried out on JEOL explosive using a self-designed small cook-off bomb system. A thermocouple was used to measure the internal temperature [...] Read more.
In order to study the reaction growth process of insensitive JEOL explosive after ignition under cook-off, a series of cook-off tests were carried out on JEOL explosive using a self-designed small cook-off bomb system. A thermocouple was used to measure the internal temperature of the explosive, and a camera recorded macro images of the cook-off process. The temperature change law of JEOL explosive before and after ignition under different heating rates and the smoke ejection caused by the reaction in the slit were studied. The research results showed that the ignition time decreased as the heating rate increased, while the ignition temperature was not sensitive to the heating rate. When the heating rate was faster, the internal temperature gradient of the explosive was larger, and the ignition point appeared at the highest temperature position. As the heating rate decreased, the internal temperature gradient of the explosive decreased, the ignition point appeared random, and multiple ignition points appeared at the same time. The growth process of the ignition point could be divided into severe thermal decomposition, slow combustion, and violent combustion stages. When the heating rate reduced from 7 to 1 °C/min, the burning rate obviously increased. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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19 pages, 5988 KiB  
Article
Effect of 5-Amino-1H-Tetrazole on Combustion Pyrolysis Characteristics and Kinetics of a Combustion Tear Gas Mixture
by Haolong Zhai, Xiaoping Cui and Yuping Gan
Crystals 2022, 12(7), 948; https://doi.org/10.3390/cryst12070948 - 6 Jul 2022
Cited by 1 | Viewed by 1332
Abstract
Taking the combustion tear gas mixture as the research object, the system formula was optimized by adding a different mass fraction of 5-amino-1H-tetrazole(5AT). TG-DSC, a thermocouple, and a laser smoke test system were used to characterize the characteristic combustion parameters such as combustion [...] Read more.
Taking the combustion tear gas mixture as the research object, the system formula was optimized by adding a different mass fraction of 5-amino-1H-tetrazole(5AT). TG-DSC, a thermocouple, and a laser smoke test system were used to characterize the characteristic combustion parameters such as combustion temperature and velocity, as well as the end-point effects such as smoke concentration and particle size. Starink’s method, the Flynn–Wall–Ozawa method, and the Coats–Redfern method were used to evaluate the pyrolysis kinetic parameters of the samples. The results show that when the mass fraction of 5-amino-1H-tetrazole in the system is 10%, the maximum combustion temperature of the sample decreases by nearly 70 °C and the smoke concentration increases by 12.81%. The kinetic study also found that with a different mass fraction of 5-amino-1H-tetrazole in the system, the main reaction model of the mixed agent in the first, third, and fourth stages of pyrolysis changed significantly, but for the second stage of sample pyrolysis, the main reaction model (the A4 model) showed a high degree of consistency, which can be considered as the thermal diffusion stage of the tear agent capsicum oleoresin (OC) (the temperature range is 220~350 °C), which is highly consistent with the results of the TG-DSC analysis. It was also confirmed that OC’s thermal diffusion is mainly concentrated in this stage. The results of this study show that adding an appropriate amount of the combustible agent 5-amino-1H-tetrazole to the combustion tear gas mixture can improve its combustion performance and smoking performance, which provides an important, new idea for the development of a new generation of safe, efficient, and environmentally friendly tear gas mixtures. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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Review

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26 pages, 10312 KiB  
Review
Synthetic Methods towards Energetic Heterocyclic N-Oxides via Several Cyclization Reactions
by Weiqing She, Zhenzhen Xu, Lianjie Zhai, Junlin Zhang, Jie Huang, Weiqiang Pang and Bozhou Wang
Crystals 2022, 12(10), 1354; https://doi.org/10.3390/cryst12101354 - 25 Sep 2022
Cited by 4 | Viewed by 1906
Abstract
Due to the introduction of oxygen atoms, N-oxide energetic compounds have a unique oxygen balance, excellent detonation properties, and a high energy density, attracting the extensive attention of researchers all over the world. N-oxides are classified into two categories based on the structural [...] Read more.
Due to the introduction of oxygen atoms, N-oxide energetic compounds have a unique oxygen balance, excellent detonation properties, and a high energy density, attracting the extensive attention of researchers all over the world. N-oxides are classified into two categories based on the structural characteristics of their skeletons: azine N-oxides and azole N-oxides, whose N→O coordination bonds are formed during cyclization. There are six kinds of azine N-oxides, namely 1,2,3,4-tetrazine-1,3-dioxide, 1,2,3,5-tetrazine-2-oxide, 1,2,3-triazine-3-oxide, 1,2,3-triazine-2-oxide, pyridazine-1,2-dioxide, and pyrazine-1-oxide. Azole N-oxides include 1,2,5-oxadiazole-2-oxide, pyrazole-1-oxide, and triazole-1-oxide. Synthetic strategies towards these two categories of N-oxides are fully reviewed. Corresponding reaction mechanisms towards the aromatic N-oxide frameworks and examples that use the frameworks to create high-energy substances are discussed. Moreover, the energetic properties of N-oxide energetic compounds are compared and summarized. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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15 pages, 3833 KiB  
Review
The Oxidation Process and Methods for Improving Reactivity of Al
by Deqi Wang, Guozhen Xu, Tianyu Tan, Shishuo Liu, Wei Dong, Fengsheng Li and Jie Liu
Crystals 2022, 12(9), 1187; https://doi.org/10.3390/cryst12091187 - 24 Aug 2022
Cited by 5 | Viewed by 1983
Abstract
Aluminum (Al) has been widely used in micro-electromechanical systems (MEMS), polymer bonded explosives (PBXs) and solid propellants. Its typical core-shell structure (the inside active Al core and the external alumina (Al2O3) shell) determines its oxidation process, which is mainly [...] Read more.
Aluminum (Al) has been widely used in micro-electromechanical systems (MEMS), polymer bonded explosives (PBXs) and solid propellants. Its typical core-shell structure (the inside active Al core and the external alumina (Al2O3) shell) determines its oxidation process, which is mainly influenced by oxidant diffusion, Al2O3 crystal transformation and melt-dispersion of the inside active Al. Consequently, the properties of Al can be controlled by changing these factors. Metastable intermixed composites (MICs), flake Al and nano Al can improve the properties of Al by increasing the diffusion efficiency of the oxidant. Fluorine, Titanium carbide (TiC), and alloy can crack the Al2O3 shell to improve the properties of Al. Furthermore, those materials with good thermal conductivity can increase the heat transferred to the internal active Al, which can also improve the reactivity of Al. Now, the integration of different modification methods is employed to further improve the properties of Al. With the ever-increasing demands on the performance of MEMS, PBXs and solid propellants, Al-based composite materials with high stability during storage and transportation, and high reactivity for usage will become a new research focus in the future. Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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Other

2 pages, 147 KiB  
Correction
Correction: Pang et al. Burning Rate Prediction of Solid Rocket Propellant (SRP) with High-Energy Materials Genome (HEMG). Crystals 2023, 13, 237
by Weiqiang Pang, Victor Abrukov, Darya Anufrieva and Dongping Chen
Crystals 2024, 14(3), 282; https://doi.org/10.3390/cryst14030282 - 18 Mar 2024
Viewed by 571
Abstract
There was an error in the original publication [...] Full article
(This article belongs to the Special Issue Advanced Energetic Materials: Testing and Modeling)
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