Energetic Materials Frontiers最新文献_第10页

Thermal decomposition of cocrystal BTF/TNB nanoparticles simulated using density functional tight-binding molecular dynamics 用密度泛函紧密结合分子动力学模拟共晶BTF/TNB纳米颗粒的热分解

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.08.001

Si-min Zhu , Wei-hua Zhu

{"title":"Thermal decomposition of cocrystal BTF/TNB nanoparticles simulated using density functional tight-binding molecular dynamics","authors":"Si-min Zhu , Wei-hua Zhu","doi":"10.1016/j.enmf.2022.08.001","DOIUrl":"10.1016/j.enmf.2022.08.001","url":null,"abstract":"<div><p>To understand the nano effect on the thermal decomposition of cocrystal explosives, this study simulated the initial decomposition of cocrystal BTF/TNB nanoparticles (NPs) with diameters of 2.2–3.0 nm at high temperatures of 2400–3000 K using density functional tight-binding molecular dynamics (DFTB-MD) with dispersion corrections. As indicated by the simulation results, the volume expansion of the nanoparticles competed with its decomposition, and smaller nanoparticles promoted the diffusion of the molecules and products in the nanoparticles. Moreover, the nanoparticles had a higher decomposition rate at higher temperatures, and smaller nanoparticles were associated with a higher decomposition rate and weaker interactions between intermediates and lattice. The number of clusters first increased and then decreased during the decomposition of the nanoparticles. The results of this study may help in understanding the effects of temperature and particle size on the thermal decomposition mechanisms of cocrystal explosives.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000604/pdfft?md5=8394381e9a875653b3ee8b7058d7c41f&pid=1-s2.0-S2666647222000604-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45690355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sandwich-like interfacial structured polydopamine (PDA)/Wax/PDA: A novel design for simultaneously improving the safety and mechanical properties of highly explosive-filled polymer composites 三明治界面结构聚多巴胺（PDA）/Wax/PDA：一种同时提高高爆炸性填充聚合物复合材料安全性和力学性能的新设计

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.03.003

Cong-mei Lin , Shi-jun Liu , Yu-shi Wen , Jia-hui Liu , Guan-song He , Xu Zhao , Zhi-jian Yang , Ling Ding , Li-ping Pan , Jiang Li , Shao-yun Guo

{"title":"Sandwich-like interfacial structured polydopamine (PDA)/Wax/PDA: A novel design for simultaneously improving the safety and mechanical properties of highly explosive-filled polymer composites","authors":"Cong-mei Lin , Shi-jun Liu , Yu-shi Wen , Jia-hui Liu , Guan-song He , Xu Zhao , Zhi-jian Yang , Ling Ding , Li-ping Pan , Jiang Li , Shao-yun Guo","doi":"10.1016/j.enmf.2022.03.003","DOIUrl":"10.1016/j.enmf.2022.03.003","url":null,"abstract":"<div><p>High melting point paraffin wax (HPW) is a novel desensitizer that has the potential to achieve low sensitivity of energetic crystals, such as 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). However, first-principles calculations confirmed that interface deterioration occurred due to a weak interfacial connection. In this work, the polydopamine (PDA)/HPW/PDA with a sandwich-like interfacial structure was prepared using three simple steps to improve safety performance, thermal stability, and mechanical properties. The theoretical and experimental results suggested that the PDA acted as a double-sided tape to adhere to the adjacent HMX/HPW layer or HPW/polymer binder layer, thus substantially enhancing the interfacial interaction. While maintaining higher safety performance (impact energy: 11∼13 J) than that of HMX (5 J), the new design improved the <em>β</em>-<em>δ</em> polymorphic transition temperature of HMX to 219.4 °C for HMX@PDA@HPW@PDA, which was higher than that of HMX@HPW (202.8 °C) and core@double-shell HMX@PDA@HPW (208.9 °C). Among the modified energetic composites, polymer-bonded explosives (PBXs) based on HMX@PDA@HPW@PDA exhibited the optimum mechanical performance, including the storage modulus and tensile fracture energy, which were 43.5% and 77.1% higher than those of PBXs based on raw HMX, respectively. The achieved favorable systematical enhancement in thermal stability, mechanical properties, and safety performance shows that such a sandwich-like interfacial structure has great potential for application for HMX-based formulation used in complex environments.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000367/pdfft?md5=630bb0e51430135bd14cf1c4f53d7f25&pid=1-s2.0-S2666647222000367-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46826028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Atomic force microscopy in energetic materials research: A review 原子力显微镜在含能材料研究中的应用综述

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.05.004

Ekaterina K. Kosareva, Alla N. Pivkina, Nikita V. Muravyev

{"title":"Atomic force microscopy in energetic materials research: A review","authors":"Ekaterina K. Kosareva, Alla N. Pivkina, Nikita V. Muravyev","doi":"10.1016/j.enmf.2022.05.004","DOIUrl":"10.1016/j.enmf.2022.05.004","url":null,"abstract":"<div><p>Modern trends in the development of energetic materials include the various methods of particle surface modification and the widespread use of nanosized powders. Atomic force microscopy (AFM) is a useful, but often overlooked advanced tool for the investigation of surface, subsurface, and interface properties of energetic compounds. This review highlights the diverse applications of AFM, and provides the various methods of AFM to investigate energetic materials, along with sample preparation techniques. We show that AFM has not only the value for imaging the surface, but also the capability to manipulate and perform the real experiments at the nanoscale. It could be a mechanical stimulation of the crystal and observation of the surface changes after it, or the attachment of the energetic crystal to the tipless cantilever, which approaches the polymeric sample to derive the adhesion force between two materials. We anticipate that over time the AFM-based techniques will be used more and more actively in the research of energetic materials and will benefit our better understanding of the processes taking place at interfaces and surfaces of energetic compounds.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000410/pdfft?md5=30fe9bf6e1816ec428c39f5e4de4f8a0&pid=1-s2.0-S2666647222000410-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46989474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 4

C−C linked fused triazolo-triazine with vicinal C−NH2/C−NO2 groups: A new heat-resistant explosive C−C与邻C−NH2/C−NO2基团熔接的三唑三嗪:一种新型耐热炸药

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.12.003

Lu‐jia Ding, Tian-yang Hou, Yuan-gang Xu, Xinyi Li, Jianfeng Zhou, Ming-Jie Lu

引用次数: 0

Effects of the Al content on thermal decomposition and combustion properties of HMX/Al composites Al含量对HMX/Al复合材料热分解和燃烧性能的影响

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.11.003

Hua Fang, Jin-qiang Zhou, Peng Deng, Peng-fei Zhu, Xue-yong Guo

{"title":"Effects of the Al content on thermal decomposition and combustion properties of HMX/Al composites","authors":"Hua Fang, Jin-qiang Zhou, Peng Deng, Peng-fei Zhu, Xue-yong Guo","doi":"10.1016/j.enmf.2022.11.003","DOIUrl":"10.1016/j.enmf.2022.11.003","url":null,"abstract":"<div><p>To understand the thermal decomposition and combustion characteristics of HMX/aluminum (Al) composites, this study prepared the HMX/Al composites with different Al contents and carried out the thermal decomposition and combustion performance tests of these composites. The thermal analysis results showed that the activation energy of the HMX/Al composites increased from 483.94 kJ·mol<sup>−1</sup> to 541.60 kJ·mol<sup>−1</sup> when the Al content increased from 0 to 30 wt%. However, the change in the Al content had little effect on the heat flow of the HMX/Al composites. The combustion results showed that the calorific value of HMX/Al-30 composite reached 16,860 J·g<sup>−1</sup>. The flame height and burning intensity gradually increased with an increase in the Al content, and the burning duration of HMX/Al-10, HMX/Al-20, and HMX/Al-30 gradually decreased by 0.21, 0.57 ms and 0.91 ms, respectively. The results showed that Al powder as metal fuel can control the combustion reactions and energy output of HMX-based explosives.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000835/pdfft?md5=c31db9f40babc4878848274be702547f&pid=1-s2.0-S2666647222000835-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46863288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Graphical Abstract 图形抽象

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/S2666-6472(22)00091-4

引用次数: 0

Cover Story 封面故事

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/S2666-6472(22)00090-2

引用次数: 0

AIEgen-based metal-organic frameworks as sensing “toolkit” for identification and analysis of energetic compounds 基于aiegen的金属有机框架作为识别和分析含能化合物的传感“工具箱”

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.09.001

Long-yi Zhu , Bin Zhu , Ying Wan , Sheng-yuan Deng , Zhang-dong Yu , Chong Zhang , Jun Luo

{"title":"AIEgen-based metal-organic frameworks as sensing “toolkit” for identification and analysis of energetic compounds","authors":"Long-yi Zhu , Bin Zhu , Ying Wan , Sheng-yuan Deng , Zhang-dong Yu , Chong Zhang , Jun Luo","doi":"10.1016/j.enmf.2022.09.001","DOIUrl":"10.1016/j.enmf.2022.09.001","url":null,"abstract":"<div><p>The identification and analysis of energetic compounds are important technology in the field of national defence and environmental monitoring. However, as the rapid development of high-energy density materials, designing universal detection strategy for energetic compounds and their composites is still challenging. Herein, we construct a suite of AIEgen-based metal-organic frameworks (MOFs) as the sensing “toolkit” for discriminating four types of energetic compounds, including nitroaromatics, nitrogen-rich heterocycles, nitramine and nitroenamine. Through manipulating the structure of linker and coordination patterns of MOFs scaffold, diversified fluorescence responses can be obtained to simultaneously probe the fluorescence quenching and competitive binding abilities of different energetic compounds in aqueous systems. The “toolkit” sensor array with fluorescence pattern recognition could successfully discriminate seven iconic energetic compounds by principal component analysis. Further performance studies show that the heterogenous materials of energetic compounds can be quantitatively analyzed with linear relationship between stoichiometries and principal component values. The composites from different types of energetic compounds are rapidly identified via AIE MOF-based logic operations. The resulting sensing “toolkit” provides a new avenue for designing olfactory-mimic sensing system.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000756/pdfft?md5=cf123e4ae35be8634250dbe227c16aba&pid=1-s2.0-S2666647222000756-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42119815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High-quality and homogeneous HMX-based aluminized explosives using droplet microfluidic technology 液滴微流控技术制备高质量均质hmx基铝化炸药

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.01.004

Jin-qiang Zhou, Bi-dong Wu, Rui Zhu, Yun-yan Guo, Jia-hui Shi, Chong-wei An, Jing-yu Wang

{"title":"High-quality and homogeneous HMX-based aluminized explosives using droplet microfluidic technology","authors":"Jin-qiang Zhou, Bi-dong Wu, Rui Zhu, Yun-yan Guo, Jia-hui Shi, Chong-wei An, Jing-yu Wang","doi":"10.1016/j.enmf.2022.01.004","DOIUrl":"10.1016/j.enmf.2022.01.004","url":null,"abstract":"<div><p>The aggregation of nano-aluminum powder seriously hinders the energy release of aluminized explosives. This study developed a strategy of using the droplet microfluidic technology to prepare HMX/15 wt% n-Al/2 wt% (NC and F2604) high-energy microspheres and systematically studied the effects of different binders on the morphology (i.e., roundness) and dispersion properties of microspheres. Moreover, it investigated the thermal decomposition, mechanical sensitivity, and combustion performance using TG, differential scanning calorimetry (DSC), and mechanical sensitivity and combustion experiments. Results show that all the prepared microspheres are regular spherical and enjoy excellent dispersion and high packing density. Using NC as a binder offers more advantages, including favorable roundness, angle of repose, and bulk density values, which were found to be 0.921, 27.1°, and 0.723 g·cm<sup>-3</sup>, respectively. Using fluorine rubber (F2604) as a binder promotes the oxidation of nano-aluminum and delays the decomposition of HMX. Meanwhile, the microsphere structure can effectively reduce the sensitivity, and the use of F2604 as a binder can significantly improve the safety performance. As a result, the obtained aluminum-containing explosives have impact and friction sensitivities of 60 J and 220 N, respectively. In addition, compared to physically mixed samples, the microsphere samples have significantly improved combustion performance, more intense combustion reactions, and a shorter burning time, all of which are attributed to their uniform structures and the interactions between components. These results indicate that the strategy using the droplet microfluidic technology provides a new method for preparing high quality aluminized explosives efficiently and safely.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000185/pdfft?md5=3db4476d8cd2b37a19fccbcaf81e4041&pid=1-s2.0-S2666647222000185-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45265963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

Reaction-dominated combustion control of ammonium perchlorate-based composites by layered V2C MXene V2C MXene层状过氯酸铵基复合材料反应主导型燃烧控制

Energetic Materials Frontiers Pub Date : 2022-12-01 DOI: 10.1016/j.enmf.2022.06.001

Bo Yang , Peng-fei Tang , Rui Li , Xiao-dong Li , Guang-cheng Yang

{"title":"Reaction-dominated combustion control of ammonium perchlorate-based composites by layered V2C MXene","authors":"Bo Yang , Peng-fei Tang , Rui Li , Xiao-dong Li , Guang-cheng Yang","doi":"10.1016/j.enmf.2022.06.001","DOIUrl":"10.1016/j.enmf.2022.06.001","url":null,"abstract":"<div><p>Reactive combustion catalysts (RCCs) are emerging materials for the combustion control of ammonium perchlorate (AP)-based propellants owing to their unique ability to control burning rates, high atomic utilization, and high-energy output. This paper reported that the combustion of AP-based propellants can be greatly enhanced by applying vanadium carbide (V<sub>2</sub>C) MXene as RCCs because of its combined advantages of unique reactivity and high chemical energy storage. The decomposition of AP in the presence of V<sub>2</sub>C MXene involves both direct reaction decomposition and catalytic decomposition. V<sub>2</sub>C MXene preferentially reacts with AP as fuel, releasing its chemical energy in the form of heat and forming VO<sub><em>x</em></sub>/C nanosheets. The VO<sub><em>x</em></sub>/C nanosheets formed in situ can serve as catalysts to promote thermal decomposition of the remaining AP. Unlike other combustion catalysts, the direct redox reaction between V<sub>2</sub>C MXene and AP dominates the decomposition of AP. Compared with other RCCs that mainly work through catalytic decomposition, V<sub>2</sub>C MXene exhibits a greatly increased burning rate, a shorter to-steady-state-combustion time, and greater energy release.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647222000562/pdfft?md5=513e2c605c5283b617ebca0edd5dc931&pid=1-s2.0-S2666647222000562-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44796320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6