Energetic Materials Frontiers最新文献_第6页

N-Acetonitrile functionalized 3-nitrotriazole: Precursor to nitrogen rich stable and insensitive energetic materials N-乙腈官能化 3-硝基三唑：富氮稳定不敏感高能材料的前体

Energetic Materials Frontiers Pub Date : 2024-03-01 DOI: 10.1016/j.enmf.2024.01.003

Prachi Bhatia, Peddapothula Sahithi Priya, Priyanka Das, Dheeraj Kumar

{"title":"N-Acetonitrile functionalized 3-nitrotriazole: Precursor to nitrogen rich stable and insensitive energetic materials","authors":"Prachi Bhatia, Peddapothula Sahithi Priya, Priyanka Das, Dheeraj Kumar","doi":"10.1016/j.enmf.2024.01.003","DOIUrl":"10.1016/j.enmf.2024.01.003","url":null,"abstract":"<div>In the field of energetic materials, prime attention has been given to the synthesis of environmentally compatible energetic materials having an adequate balance between energy and stability. For this purpose, nitrogen-rich heterocyclic rings have contributed as pivotal frameworks. Nitro-functionalized 1,2,4-triazoles have been profusely used as a constituent for synthesizing high-performing energetic materials (EMs) due to their high nitrogen content, good thermal stability, and modifiable sites via functionalization. Combination with a different energetic scaffold may provide an opportunity for accessible tailoring. In this work, in an effort to investigate the potential of 3-nitrotriazoles, its N-acetonitrile derivative 2 was synthesized, which was further converted to various explosophores. N-methylene-C bridged asymmetrically connected tetrazole (3) and 1,2,4-oxadiazole (9 and 10) based EMs have been synthesized. Further tuning of energetic properties via salt formation strategy was employed for the synthesis of compounds 4–7, 11 and 12. 1,2,4-oxadiazole-based compound 9 was also confirmed via X-ray diffraction analysis, and 10 was analyzed with 15N NMR spectroscopy. Compounds 3, 4, 5, 7 and 9 exhibited high thermal stabilities and were found to be insensitive towards impact and friction. Compounds 5, 6, and 10 exhibited detonation performance comparable to the conventional insensitive explosive TATB.</div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"5 1","pages":"Pages 8-16"},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647224000101/pdfft?md5=2befe2433c5a4d29450479e53c21fd68&pid=1-s2.0-S2666647224000101-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139951952","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}

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Synthesis, characterization, and thermal decomposition performance of 1,2,3-triazolyl-substituted 1,3,5-triazines with carbonyl, ester, and azide functional groups 具有羰基、酯和叠氮官能团的 1,2,3-三唑基取代 1,3,5- 三嗪的合成、表征和热分解性能

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Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.12.001

Tat'yana V. Sokolnikova , Maxim V. Penzik , Alexey G. Proidakov , Valery N. Kizhnyaev

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Synthesis and characterization of 2-amino-4,5-bis(tetrazol-5-yl)-1,2,3-triazole: A high-nitrogen energetic material with low sensitivities and high thermal stability 2-amino-4,5-bis(tetrazol-5-yl)-1,2,3-triazole 的合成与表征：一种具有低敏感性和高热稳定性的高氮能材料

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Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.12.002

Xun Huang, Long Chen, Hai-feng Huang, Jun Yang

{"title":"Synthesis and characterization of 2-amino-4,5-bis(tetrazol-5-yl)-1,2,3-triazole: A high-nitrogen energetic material with low sensitivities and high thermal stability","authors":"Xun Huang, Long Chen, Hai-feng Huang, Jun Yang","doi":"10.1016/j.enmf.2023.12.002","DOIUrl":"10.1016/j.enmf.2023.12.002","url":null,"abstract":"<div><div>In this study, a high-nitrogen insensitive energetic material, 2-amino-4,5-bis(tetrazole-5-yl)-1,2,3-triazole (H2ABTT), was successfully synthesized by introducing the N-amino group on the 1,2,3-triazole ring. This compound exhibits excellent properties in many aspects. Compared to 4,5-bis(tetrazol-5-yl)-1,2,3-triazole (H3BTT), which has a decomposition temperature (Td) of 277 °C, nitrogen content of 75.11 %, density of 1.69 g cm−3, a detonation velocity of 8630 m s−1, a detonation velocity of 26.3 GPa, an impact sensitivity (IS) of 2 J, and a friction sensitivity (FS) of 240 N, H2ABTT exhibits higher thermal stability of Td:303 °C, higher nitrogen content of N%:76.35 %, higher density of 1.86 g cm−3, more desirable detonation properties (detonation velocity Dv: 9185 m s−1; detonation pressure p: 31.7 GPa), and lower mechanical sensitivities (IS > 100 J; FS > 360 N). Furthermore, H2ABTT outperforms insensitive explosive TATB (Dv = 8179 m s−1; p = 30.5 GPa; IS = 50 J; FS > 360 N) in some properties, making it a potential high-performance insensitive explosive. Besides, energetic salts 4–6 were successfully synthesized based on H2ABTT. The calculated results show that some of these salts even possess higher detonation performance compared to H2ABTT.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 4","pages":"Pages 221-228"},"PeriodicalIF":3.3,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138688733","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}

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Cover Story 封面故事

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Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/S2666-6472(23)00074-X

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Influence of nitroamino−nitroimino tautomerism: A useful theoretical supplement for nitroamino-based energetic materials 硝基氨基-硝基氨基互变异构体的影响:对硝基氨基含能材料的有益理论补充

IF 3.3

Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.11.002

Ya-xi Wang, Xun Zhang, Jun-liang Liu, Meng-xin Xue, Lu Hu, Si-ping Pang

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Effects of Al powder on the reaction process and reactivity of B/KNO3 energetic sticks Al粉对B/KNO3含能棒反应过程及反应活性的影响

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Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.10.004

Chen-yang Li , Min-jie Li , Hao-yu Song , Chuan-hao Xu , Lei Gao , Bao-yun Ye , Jing-yu Wang , Chong-wei An

{"title":"Effects of Al powder on the reaction process and reactivity of B/KNO3 energetic sticks","authors":"Chen-yang Li , Min-jie Li , Hao-yu Song , Chuan-hao Xu , Lei Gao , Bao-yun Ye , Jing-yu Wang , Chong-wei An","doi":"10.1016/j.enmf.2023.10.004","DOIUrl":"10.1016/j.enmf.2023.10.004","url":null,"abstract":"<div><div>Boron/potassium nitrate (B/KNO3) is a type of critical energetic composite material (ECM). However, the inert oxide layer on the B surface of B/KNO3 hinders the contact between pure fuel and oxidant, thus limiting energy release This limitation could be eliminated by adding highly reactive Al powder. To discern the effects of Al powder size on the reaction process and reactivity of B/KNO3, this study prepared Al/B/KNO3/polyvinylidene fluoride (PVDF) energetic sticks using the direct ink writing (DIW) technology. This study characterized the macroscopic morphology and structure of the energetic sticks using a laser scanning microscope and a scanning electron microscope, examined the reaction process of the composites using a differential scanning calorimeter and a thermogravimetric analyzer, and observed the flame propagation behavior of energetic sticks and energetic architectures using a high-speed camera. Furthermore, it tested the pressure output characteristics of the energetic composites using a closed volume tank. The results show that adding Al powder can improve the combustion efficiency of B/Al composite fuels and reduce the agglomeration of the combustion products. The Al powder with various particle sizes affects various reaction stages of the composite. The combustion and pressure output tests suggest that adding Al powder with a particle size of 1 μm yielded high reactivity and that flame jump propagation appeared in energetic architectures when the channel spacing was below 10 mm. These findings provide a guide for modifying the B/KNO3 energetic composites and regulating the reactivity of energetic sticks.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 4","pages":"Pages 235-246"},"PeriodicalIF":3.3,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135809626","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}

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Preparation of NCh-B and NCh-B-Ti nanocomposites and their ignition and combustion performances NCh-B和NCh-B- ti纳米复合材料的制备及其点火燃烧性能

IF 3.3

Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.11.001

Yu-shu Xiong , Yong-qi Wang , Chong Wan , Wen-zhen Zhang , Zhao Qin , Su-hang Chen , Kang-zhen Xu

{"title":"Preparation of NCh-B and NCh-B-Ti nanocomposites and their ignition and combustion performances","authors":"Yu-shu Xiong , Yong-qi Wang , Chong Wan , Wen-zhen Zhang , Zhao Qin , Su-hang Chen , Kang-zhen Xu","doi":"10.1016/j.enmf.2023.11.001","DOIUrl":"10.1016/j.enmf.2023.11.001","url":null,"abstract":"<div><div>To overcome the agglomeration and insufficient combustion of nano-boron (n-B) powders, this study successfully prepared two novel types of boron-based nanocomposites using the acoustic resonance technology, namely high-substitute nitrochitosan/nano-boron (NCh-B) with ratios of 1:3, 1:5, 1:7 and 1:9, and nitrochitosan/nano-boron powder/nano-titanium (NCh-B-Ti) with Ti contents of 5 wt%, 10 wt%, 15 wt% and 20 wt%. The structural morphologies, laser ignition and combustion properties of the composites were systematically investigated. The results suggest that the addition of NCh can significantly improve the dispersion of n-B. NCh-B exhibited a higher combustion performance than n-B, as evidenced by their ignition delay and flame areas. When the laser power density was 81 W, NCh-B5-Ti15% exhibited a combustion time and an ignition delay of 240 ms and 5.5 ms respectively, which were higher and lower than those of NCh-B5 (199 ms and 17 ms, respectively). Furthermore, NCh-B5-Ti15% displayed a lower ignition delay than both n-B powders (12 ms) and NCh-B (11 ms), as well as brighter flames and a larger combustion area. Therefore, the addition of n-Ti can promote the combustion of n-B powders, with the combustion products of NCh-B-Ti including H3BO3, B2O3, TiB2, and TiO. This study provides a new method for improving the ignition performance and combustion efficiency of n-B powders.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 4","pages":"Pages 247-253"},"PeriodicalIF":3.3,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135516019","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}

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Machine learning-based prediction and interpretation of decomposition temperatures of energetic materials 基于机器学习的含能材料分解温度预测与解释

IF 3.3

Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/j.enmf.2023.09.001

Jun-nan Wu , Si-wei Song , Xiao-lan Tian , Yi Wang , Xiu-juan Qi

{"title":"Machine learning-based prediction and interpretation of decomposition temperatures of energetic materials","authors":"Jun-nan Wu , Si-wei Song , Xiao-lan Tian , Yi Wang , Xiu-juan Qi","doi":"10.1016/j.enmf.2023.09.001","DOIUrl":"10.1016/j.enmf.2023.09.001","url":null,"abstract":"<div><div>Exploring the application of machine learning (ML) in energetic materials (EMs) has been a hot research topic. Accordingly, the prediction of the detonation properties of EMs using ML methods has attracted much attention. However, the predictive models for the thermal decomposition temperatures (Td) of EMs have been scarcely reported. Furthermore, the small datasets used in these reports lead to a weak generalization ability of the predictive models. This study created a dataset containing 1022 energetic molecules with Td values of 38–425 °C and determined an optimal predictive model through training. The gradient boost machine for regression (GBR) model yielded a coefficient of determination (R2) of 0.65 and a mean absolute error (MAE) of 27.7 for the test set. This study further explored critical features, determining that the prediction accuracy of the models was significantly influenced by descriptors representing molecular bond stability (i.e., the BCUT metrics) and atomic composition (i.e., the Molecular ID). Finally, the analysis of the outlier structure indicated that the model accuracy can be further improved by incorporating features related to molecular interactions. The results of this study help gain a deep understanding of the application of ML in the prediction of EM properties, particularly in dataset construction and feature selection.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 4","pages":"Pages 254-261"},"PeriodicalIF":3.3,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42414226","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}

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Graphical Abstract 图表摘要

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Energetic Materials Frontiers Pub Date : 2023-12-01 DOI: 10.1016/S2666-6472(23)00075-1

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Achieving superior thermal conductivity in polymer bonded explosives using a preconstructed 3D graphene framework 使用预构造的3D石墨烯框架在聚碳酸酯炸药中实现卓越的导热性

Energetic Materials Frontiers Pub Date : 2023-09-01 DOI: 10.1016/j.enmf.2023.07.002

Guan-song He, Yu Dai, Peng Wang, Chao-yang Zhang, Cong-mei Lin, Kun Yang, Jian-hu Zhang, Ruo-lei Zhong, Shi-jun Liu, Zhi-jian Yang

{"title":"Achieving superior thermal conductivity in polymer bonded explosives using a preconstructed 3D graphene framework","authors":"Guan-song He, Yu Dai, Peng Wang, Chao-yang Zhang, Cong-mei Lin, Kun Yang, Jian-hu Zhang, Ruo-lei Zhong, Shi-jun Liu, Zhi-jian Yang","doi":"10.1016/j.enmf.2023.07.002","DOIUrl":"10.1016/j.enmf.2023.07.002","url":null,"abstract":"<div>When subjected to complicated thermal alternation, the low thermal conductivity (k) of polymerbonded explosives (PBXs) will induce high thermal stress, which will undermine the safety and reliability of the explosives by causing cracks or damage. However, it has been proven to be a challenge to efficiently increase the k of PBXs due to the high interfacial thermal resistance (ITR) and intrinsic defects of their conductive nanofillers. By introducing AgNWs with a high aspect ratio into graphene, this study constructed a novel multi-dimensional high-k nanofiller composed of one-dimensional (1D) silver nanowires (AgNWs) and two-dimensional (2D) graphene, namely gra@AgNWs. The AgNWs decorated could remedy the intrinsic defects of graphene by passing through the interspaces within graphene nanosheets to form connections as bridges. Consequently, the k of energetic polymer composites increased significantly by 89% from 0.425 W m−1 K−1 to 0.805 W m−1 K−1 at ultralow filler loading of 0.5 wt%. Furthermore, the temperature gradients and thermal stress in the composite cylinder decreased significantly under complicated thermal changes owing to the enhanced k. As quantitatively demonstrated through the fitting of experimental data using a theoretical model, AgNWs significantly decreased the ITR, paving highways” for phonon transfer between adjacent graphene nanosheets. Hence an expected synergistic effect of heat transfer was produced in the composites. This study provides new insights into the design and preparation of highly thermally conductive composites.</div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 202-212"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44527502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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