Energetic Materials Frontiers最新文献

{"title":"Deuterated energetic materials: Syntheses, structures, and properties","authors":"Zheng-hang Luo ,&nbsp;Jia-jun Zhou ,&nbsp;Hao Li ,&nbsp;Yuan-hua Xia ,&nbsp;Liang-fei Bai ,&nbsp;Hai-jun Yang","doi":"10.1016/j.enmf.2023.08.001","DOIUrl":"10.1016/j.enmf.2023.08.001","url":null,"abstract":"<div><p>The deuteration of energetic materials contributes to high signal-to-noise ratios (SNRs) in neutron diffraction, thus allowing the structures of energetic materials to be effectively investigated. This study developed the synthesis methods of deuterated energetic materials through chemical synthesis or newly developed one-pot H/D exchange. Using these methods, it synthesized nine deuterated energetic materials in a concise and low-cost manner: deuterated 1,3,5-triamino-2,4,6-trinitrobenzene (TATB-<em>d</em>₆, <strong>1</strong>), 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX-<em>d</em>₈, <strong>2</strong>), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX-<em>d</em>₆, <strong>3</strong>), dihydroxylammonium 5,5′-bis(tetrazole-1-oate) (TKX-50-<em>d</em>₈, <strong>4</strong>), nitroguanidine (NQ-<em>d</em>₄, <strong>5</strong>), 1,1-diamino-2,2-dinitroethylene (FOX-7-<em>d</em>₄, <strong>6</strong>), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105-<em>d</em>₄, <strong>7</strong>), trinitrotoluene (TNT-<em>d</em>₃, <strong>8</strong>), and 3-nitro-1,2,4-triazol-5-one (NTO-<em>d</em>₂, <strong>9</strong>). Furthermore, the single crystals of HMX-<em>d</em>₈ (<strong>2</strong>) and RDX-<em>d</em>₆ (<strong>3</strong>) were obtained, and the <em>α-</em>, <em>β-</em>, <em>γ-</em>, and <em>δ-</em>polymorphs of HMX-<em>d</em>₈ (<strong>2</strong>) were prepared accordingly. The deuterated energetic materials were characterized and analyzed using infrared spectroscopy (IR), nuclear magnetic resonance (NMR) spectroscopy, differential scanning calorimetry (DSC), thermogravimetry (TG), X-ray diffraction (XRD), and neutron diffraction. Besides, this study determined the decomposition activation energy (<em>E</em>_a), pre-exponential factor (A), decomposition rate constant (<em>k</em>), and critical explosion temperature (<em>T</em>_b) of TATB-<em>d</em>₆ (<strong>1</strong>), HMX-<em>d</em>₈ (<strong>2</strong>), and RDX-<em>d</em>₆ (<strong>3</strong>) via DSC experiments at different heating rates. The NMR and neutron diffraction data show that these deuterated energetic materials have high deuteration rates of more than 95%. The DSC and TG analyses indicate that the deuterated energetic materials exhibit slightly higher decomposition temperatures than their nondeuterated counterparts. Furthermore, neutron diffraction shows that the deuterated energetic materials feature high SNRs.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 125-133"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49376150","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}

{"title":"Cover Story","authors":"","doi":"10.1016/S2666-6472(23)00049-0","DOIUrl":"https://doi.org/10.1016/S2666-6472(23)00049-0","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Page ii"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71761255","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}

{"title":"Graphical Abstract","authors":"","doi":"10.1016/S2666-6472(23)00050-7","DOIUrl":"https://doi.org/10.1016/S2666-6472(23)00050-7","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages iii-vi"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71761254","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}

{"title":"Recent progress in research on the dynamic process of high-energy explosives through pump-probe experiments at high-intensity laser facilities","authors":"Gen-bai Chu ,&nbsp;Tao Xi ,&nbsp;Shao-yi Wang ,&nbsp;Min Shui ,&nbsp;Yong-hong Yan ,&nbsp;Guo-qing Lv ,&nbsp;Yao Wang ,&nbsp;Ming-hai Yu ,&nbsp;Xiao-hui Zhang ,&nbsp;Fang Tan ,&nbsp;Jian-ting Xin ,&nbsp;Liang Wang ,&nbsp;Yu-chi Wu ,&nbsp;Jing-qin Su ,&nbsp;Wei-min Zhou","doi":"10.1016/j.enmf.2023.06.003","DOIUrl":"10.1016/j.enmf.2023.06.003","url":null,"abstract":"<div><p>To accurately predict the detonation and safety performances of high-energy explosives, it is necessary to investigate their reaction mechanisms on different scales, which, however, presents a challenge due to the complex reaction kinetics of the explosives and a lack of experimental methods presently. This work introduces the time-resolved pump-probe experiments capabilities aiming at high-energy explosives based on large-scale laser facilities and presents the recent progress in research on the dynamic process of the explosives, obtaining the following understandings: (1) First, the micron-sized single-crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) can be compressed to an overdriven detonation state at a laser facility, followed by the shock Hugoniot measurements of TATB; (2) Second, high resolution transient X-ray radiography makes it possible to achieve the dynamic imaging of the internal deformation, damage, and reaction dynamics of high-energy explosive under dynamic loading; (3) Third, the phase transformation and chemical reaction products of the shock-compressed explosives can be investigated using dynamic X-ray diffraction or scattering spectra; (4) Finally, the structural changes, molecular reactions, molecular bond cleavage, and intermediate product components of explosives under ultrafast pumping can be explored using ultrafast laser spectroscopy. Large-scale laser facilities can provide various flexible pump-probe methods, including laser shock loading, transient X-ray imaging, dynamic X-ray diffraction, and ultrafast spectroscopy, allowing a series of experiments to be carried out to evaluate different levels of ignitions from low-pressure to overdriven detonations. Furthermore, the facilities also enable <em>in situ</em>, real-time investigations of the internal deformation, phase transition, and ultrafast dynamics of explosives under dynamic loading at high spatial and temporal resolutions. The study of the reaction kinetics and mechanisms of high-energy explosives on microscopic-mesoscopic scales provides an efficient means to unravel the mystery of explosive reactions.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 169-177"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44839147","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}

{"title":"An USAXS-SAXS study of nano-TATB under uniaxial die pressures","authors":"Yan Zhou ,&nbsp;Jing Shi ,&nbsp;Xiu-hong Li ,&nbsp;Feng Tian ,&nbsp;Mark Julian Henderson ,&nbsp;László Almásy ,&nbsp;Qiang Tian","doi":"10.1016/j.enmf.2023.03.002","DOIUrl":"10.1016/j.enmf.2023.03.002","url":null,"abstract":"<div><p>The microstructure of a compressed explosive solid is closely related to its shock sensitivity and mechanical properties. In this study, ultra-small-angle and small-angle X-ray scattering (USAXS and SAXS) techniques were combined to explore the hierarchical microstructure of die-pressed 2,4,6-trinitro-1,3,5-benzenetriamine (TATB) discs obtained from nanostructured TATB (nano-TATB) powder as the precursor. Using the Guinier-Porod model, the pseudo-invariants, and Porod's law, this study analyzed the microstructures of the materials on a nanometer scale to track the changes in void size, porosity, and interfacial area, which reflected the response of TATB under applied pressures of 1, 2, 5, 10, 15 ​kN and 30 ​kN. Results show that there existed three populations of voids in the measured <em>q</em> range. The intergranular voids with sizes of tens of nanometers were sensitive to low pressures (&lt;15 ​kN) and presented a smooth interface with the TATB matrix. The intragranular voids with sizes of 7–8 ​nm exhibited a fairly small volume-filling ratio under high pressures (&gt;15 ​kN), as indicated by the decrease in the volume fractal dimension. Porosities of the voids with sizes of 1–900 ​nm, which were determined by the pseudo-invariants obtained from the scattering data, decreased from 6% to 1% as the pressures increased from 1 ​kN to 30 ​kN. The response of these structural parameters to external pressures implies that the main densification mechanisms under die compression include the flow, fracturing, and plastic deformation of the TATB granules. This study provides a direct insight into the structural evolution of TATB during compression.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 134-139"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47969210","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}

{"title":"Research progress in thermal expansion characteristics of TATB based polymer bonded explosives","authors":"Cong-mei Lin ,&nbsp;Liang-fei Bai ,&nbsp;Zhi-jian Yang ,&nbsp;Fei-yan Gong ,&nbsp;Yu-shi Wen","doi":"10.1016/j.enmf.2023.09.003","DOIUrl":"https://doi.org/10.1016/j.enmf.2023.09.003","url":null,"abstract":"<div><p>Under complex temperature variations, the irreversible thermal expansion of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) based polymer bonded explosives (PBXs) results in decreased shape stability, directly impacting mechanical properties, safety performance during storage and use. In recent years, extensive and thorough researches have seen carried out on the thermal expansion characteristics of TATB based explosives. This paper summarizes the thermal expansion characteristics of TATB based PBXs, the influencing factors, as well as their suppression methods. Starting with the distinctive crystal structure of TATB, the thermal expansion mechanism of TATB based PBXs is introduced, the microstructural evolution during the thermal expansion process is summarized, and the effects of thermal expansion on comprehensive performance are analyzed. More attention to the influencing factors of thermal expansion and control methods are paid. Existing challenges are summarized with the recommendation for further exploration into the irreversible expansion mechanism of TATB based PBXs. It point out several key directions for future development: design and control of TATB crystal structure, construction and development of novel composites with integrated structural-functional properties, as well as the application of negative thermal expansion functional materials.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 178-193"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71761197","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}

{"title":"Large-scale scientific facilities: Vital tools to keep pushing the boundaries of science in energetic materials","authors":"Guang-ai SUN ,&nbsp;Shi-chun LI","doi":"10.1016/j.enmf.2023.10.001","DOIUrl":"https://doi.org/10.1016/j.enmf.2023.10.001","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 123-124"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71761256","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}

{"title":"Polymeric nitrogen: A review of experimental synthesis method, structure properties and lattice dynamic characterization from large scientific facilities and extreme spectroscopy perspectives","authors":"Li Lei,&nbsp;Jing-yi Liu,&nbsp;Heng-yuan Zhang","doi":"10.1016/j.enmf.2023.09.005","DOIUrl":"https://doi.org/10.1016/j.enmf.2023.09.005","url":null,"abstract":"<div><p>Single-bonded polymeric nitrogen (PN) synthesized under high pressure was highly delivered for its valuable application prospects on high-energy-density materials (HEDM) and profound effects for understanding the interaction behavior of simple diatomic. Since the 1980s, polymeric phases of nitrogen have displayed remarkable complexity under extreme conditions of pressure and temperature that fascinated theoreticians and experimentalists. The high-pressure X-ray diffraction (XRD) and Raman spectroscopy experiments on PN made it possible to elucidate their evolution, in particular, to measure important structural information through scientific facilities. Here, the synthesized PN hitherto, including cubic gauche nitrogen (cg-N), layered polymeric nitrogen (LP-N), hexagonal layered polymeric nitrogen (HLP-N), post-layered-polymeric nitrogen (PLP-N), and black phosphorous structure nitrogen (BP–N) are reviewed. The synthesized methods, diagnosed technologies, lattice dynamics, and experimental challenges are introduced, with a particular focus on their structural similarity and lattice dynamic characterization, and the Raman criterion for nitrogen polymerization is also given. Finally, we propose the expectation of developing free-electron laser (FEL) and high-pressure neutron technology which is a potential key in the research of fundamental elements under high pressure.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 158-168"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71761196","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}

{"title":"A review of small angle scattering, neutron reflection, and neutron diffraction techniques for microstructural characterization of polymer-bonded explosives","authors":"Liang-fei Bai ,&nbsp;Xin-xi Li ,&nbsp;Hao Li ,&nbsp;Guang-ai Sun ,&nbsp;Dong Liu ,&nbsp;Zhan-yu wu ,&nbsp;Mei Peng ,&nbsp;Zhi-chao Zhu ,&nbsp;Chao-qiang Huang ,&nbsp;Fei-yan Gong ,&nbsp;Shi-chun Li","doi":"10.1016/j.enmf.2023.01.001","DOIUrl":"10.1016/j.enmf.2023.01.001","url":null,"abstract":"<div><p>To better understand the structure-activity relationship and enhance the overall performance of polymer-bonded explosives (PBXs), the neutron and X-ray scattering techniques, which utilize neutron or X-ray radiation as probes, are unique and useful methods for quantifying the inherent hierarchical microstructures and components of PBXs. This review focuses on a series of scattering techniques and their typical applications in PBXs and includes a brief introduction of large neutron and X-ray scientific facilities in China. It describes the basic principles, instrumentation, sample environment, and empirical approaches of small-angle scattering (SAS), neutron reflection (NR), and neutron diffraction (ND). Additionally, it reviews common applications of these scattering techniques in the fields of PBXs. Combining the scattering techniques with complementary methods yields several valuable parameters that account for the microstructural features of PBXs. The combination can be used to establish multi-scale structure-activity relationships of PBXs and optimize the preparation process, numerical simulations, and performance prediction of PBXs. More efforts should be made to (1) gather the comprehensive multi-scale microstructural parameters for certain PBXs and add them to corresponding characteristic databases; (2) further investigate the dependence of the microstructural features on the preparation conditions of PBXs; (3) establish multi-factor correlations between the multi-scale microstructural features and the multiple performances obtained from experiments; (4) incorporate the microstructural parameters into various theoretical computational models.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 140-157"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46243500","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}

{"title":"Structure-activity relationship analysis and molecular structure construction of fused tricyclic energetic molecules containing flexible ring","authors":"Jun-hao Shi,&nbsp;Hong-lei Xia,&nbsp;Si-wei Song,&nbsp;Si-tong Chen,&nbsp;Zi-wu Cai,&nbsp;Yu-teng Cao,&nbsp;Wen-quan Zhang","doi":"10.1016/j.enmf.2023.08.002","DOIUrl":"10.1016/j.enmf.2023.08.002","url":null,"abstract":"<div><p>A simple, mild and efficient method was proposed to construct fused tricyclic skeletons based on Mannich reaction. This work not only develops a new method to construct the tricyclic skeletons effectively, but also provides a new insight into the fused tricyclic skeletons containing flexible ring, which will greatly contribute to the research and development of the tricyclic energetic compounds. The relationship of structure-activity was studied by weak interactions calculation, single crystal structures analysis, electrostatic potentials calculation. The experimental and theoretical investigations suggest that the fused tricyclic skeleton containing flexible ring possesses better thermal stability and can be derivatized more easily compared with the similar aromatic fused tricyclic skeleton. Besides, the energetic derivates based on the fused tricyclic skeleton containing flexible ring possess good comprehensive properties: <strong>2</strong> (<em>D</em> ​= ​7726 ​m ​s⁻¹, <em>p</em> ​= ​22.7 ​GPa) and <strong>4</strong> (<em>D</em> ​= ​8151 ​m ​s⁻¹, <em>p</em> ​= ​26.3 ​GPa). All these results suggest that the fused tricyclic skeleton containing flexible ring is an ideal candidate to construct energetic compounds.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 3","pages":"Pages 194-201"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43754645","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}