Energetic Materials Frontiers最新文献

{"title":"Modified double base propellants containing RDX with zero burning rate temperature coefficient","authors":"Chao Zhang ,&nbsp;Xue-Xue Zhang ,&nbsp;Ha Xiang ,&nbsp;Xiao-hong Zhang ,&nbsp;Qi-Long Yan","doi":"10.1016/j.enmf.2025.05.003","DOIUrl":"10.1016/j.enmf.2025.05.003","url":null,"abstract":"<div><div>Low temperature sensitivity coefficients are of great significance for improving the combustion stability of modified double-base propellants (MDBPs) under sensitive environmental conditions. In this work, different combined catalyst systems containing Pb-complex, magnesium oxide (MgO), carbon black (CB) and Cu-complex have been employed to tune the combustion behavior of MDBPs. The effects of these catalysts on the combustion properties of MDBP have been comprehensively investigated at the pressure range of 4–15 MPa and different initial temperatures (−40, 20 and 50 °C). The MDBPs with composite catalysts of Pb-complex, MgO, CB and Cu-complex (NR_PbMgCBCu) has almost zero temperature sensitivity coefficient. The combined catalyst systems have catalytic effect on thermal decomposition and combustion of MDBPs, which is more likely to cause an intensive combustion especially at lower pressures. The burning rate temperature sensitivity and pressure exponent of NR_PbMgCBCu have been largely reduced by adding this combined catalyst systems. The results show that the exothermic peak temperature of NR_PbMgCBCu was decreased by 8.2 °C, and its heat release has been increased by 26.4 %, whereas the heat of combustion is 4.1 % higher than that of the blank MDBP. More importantly, the burning rates of MDB propellants with catalysts are notably increased by 86.9 %–169.8 % at 4 MPa. The combination of Pb-complex, MgO, CB and Cu-complex may have the best stabilization effect on the burn rate sensitivity to the initial temperature for MDBPs. The calculated pressure exponent of NR_PbMgCBCu at 6–12 MPa was largely reduced to 0.03, whereas the corresponding temperature sensitivity coefficient was only 5.4E-4 %·°C⁻¹.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 202-211"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614291","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":"Quantifying the influence of dispersion interactions on the elastic properties of energetic NTO polymorphs","authors":"Jin-ning Hu ,&nbsp;Xiao-jing Fan ,&nbsp;Jun-feng Wang ,&nbsp;Shao-hua Jin ,&nbsp;Chang-jun Zhao ,&nbsp;Xiu-tian-feng E ,&nbsp;Chao-yang Zhang ,&nbsp;Liang-liang Niu","doi":"10.1016/j.enmf.2024.11.005","DOIUrl":"10.1016/j.enmf.2024.11.005","url":null,"abstract":"<div><div>3-Nitro-1,2,4-triazole-5-one (NTO) is a promising energetic compound with high energy and low sensitivity. Herein, the elastic properties of three NTO polymorphs are studied using dispersion-corrected density functional theory. The calculation results of three NTO crystal forms show that <em>C</em>₁₁ is 47–64 GPa, and <em>C</em>₂₂ and <em>C</em>₃₃ are 15.8–19 GPa. We show that more than half of the isotropic elasticity of NTO polymorphs arises from the contribution of London dispersion interaction, which is generally considered to be a weak term. Among the polymorphs, <em>β</em>-NTO is demonstrated to be the stiffest and most anisotropic due to the strongest intermolecular electrostatic interactions and hydrogen bonds. Interestingly, the quantification of elasticity anisotropy demonstrates that the London dispersion interactions also contribute to the anisotropy of energetic molecular crystals. These findings facilitate our fundamental understanding of the elastic properties and the structure-property relationships of energetic polymorphs.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 156-165"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614863","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":"Packing coefficient determining the packing density difference of CHON-containing isomers","authors":"Yao-yao Linghu ,&nbsp;Chao-yang Zhang","doi":"10.1016/j.enmf.2024.02.004","DOIUrl":"10.1016/j.enmf.2024.02.004","url":null,"abstract":"<div><div>Packing density is a basic property of substances and acts as one of important decisive factors of service performances. This work focuses upon the determining factors of packing density at the premise of CHON-containing isomers with the same chemical composition. It is found that, for a group of CHON-containing isomers, the molecular densities vary much less than the packing coefficients and packing densities, regardless a significant difference of molecular structure therein. Thus, packing coefficient governs packing density, and strategy based on data analysis for elevating it is proposed, such as the introduction of strong and dense hydrogen bonds and the formation of internal salt. Additionally, C=O is beneficial for increasing packing density while reducing energy release, and thus can hardly be considered in energetics. Hopefully, this work will deepen the understanding of packing density and offer a new avenue for designing high energy compounds.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 166-176"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139815594","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":"Pyrolysis behavior and mechanism of high nitrogen compound 4,4′,6,6′-tetra(azido)-hydrazine-1,3,5-triazine","authors":"Rui-min Tang ,&nbsp;Chen Wang ,&nbsp;Mao-guo Zhu ,&nbsp;Liang-liang Sun ,&nbsp;Jian-xing Yang ,&nbsp;Su-hang Chen ,&nbsp;Feng-qi Zhao ,&nbsp;Kang-zhen Xu","doi":"10.1016/j.enmf.2025.04.001","DOIUrl":"10.1016/j.enmf.2025.04.001","url":null,"abstract":"<div><div>The pyrolysis behavior and mechanism of energetic materials are crucial for assessing their safety and application. In this study, the pyrolysis behavior, gas-phase decomposition products, condensate phase products and pyrolysis mechanism of high nitrogen compound 4,4′,6,6′-tetri(azide)-hydrazine-1,3,5-triazine (TAHT) were fully studied through differential scanning calorimetry (DSC), thermogravimetric analysis (TG), thermogravimetric-infrared-mass spectrometry (TG-IR-MS) and in-situ infrared spectroscopy. The results indicate that the thermal behavior of TAHT exhibits a big exothermic decomposition process and an endothermic decomposition process accompanied by the mass loss of 42.5 % and 52.1 %, respectively. At the heating rate of 10 °C·min⁻¹, the peak temperature (<em>T</em>_p) and decomposition enthalpy of exothermic decomposition process are 230.4 °C and −2021.0 J g⁻¹, respectively. The peak temperature (<em>T</em>_p) of endothermic decomposition process is 703.5 °C. In the exothermic decomposition stage, the main gas-phase decomposition products of TAHT are N_2, and contain small amounts of NH₃ and HCN, the hydrazine bond and azide groups in the condensed-phase almost completely disappear during the pyrolysis process, and the residues form a network structure of triazine ring. Based on the analysis of gas-phase and condensed-phase products, a possible pyrolysis mechanism for TAHT is proposed. This work provides valuable theoretical insights for the application of TAHT as a new green energetic material.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 195-201"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614290","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":"Progress on additive manufacturing technology of solid propellants","authors":"Christian Ingabire,&nbsp;Dao-lun Liang,&nbsp;Li-xiang Li","doi":"10.1016/j.enmf.2025.06.001","DOIUrl":"10.1016/j.enmf.2025.06.001","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The application of Additive Manufacturing (AM) in the production of solid propellants presents new opportunities to enhance the propulsion performance of rockets, missiles, and space launch vehicles. This review highlights recent progress made in AM of solid propellants using Fused Deposition Modeling (FDM), Direct Ink Writing (DIW), and Stereolithography (SLA) AM methods. These AM methods are set to address limitations of traditional casting techniques by providing rapid prototyping capabilities, greater design flexibility, enhanced manufacturing safety, cost savings, and improved rocket performance.&lt;/div&gt;&lt;div&gt;Common solid propellant ingredients are examined, with emphasis on recent findings regarding their printability and compatibility with these 3 a.m. processes. The role of thermochemical codes and emerging numerical simulations in predicting propellant material compatibility, performance, and printability is reviewed, alongside important rheological properties essential for solid propellant AM such as material viscosity and yield stress. For each AM method, we also discuss in detail its printing parameters and compatible propellant formulations as well as existing challenges and possible optimization strategies. Furthermore, the mechanical performance and combustion characteristics of additively manufactured solid propellants are thoroughly evaluated.&lt;/div&gt;&lt;div&gt;Important milestones are discussed in detail, including the successful manufacturing of AP-based propellants by FDM and the development of photocurable binders such as polyester urethane acrylate (PEUA) with comparable ultimate tensile stress to HTPB propellants and six times higher ultimate tensile strain. The possibilities offered by DIW to produce propellants up to 91 wt% solid loading while maintaining structural integrity are also highlighted. Additionally, developments involving SLA method where APNIMMO-based binders have shown stress at break approximately 10 times greater than traditional HTPB, as well as a 480 % increase in burn rate at 100 MPa compared to non-energetic acrylate resins are highlighted.&lt;/div&gt;&lt;div&gt;Remaining challenges and development trends are discussed, including issues in FDM, such as the incompatibility of certain traditional binders with their thermal conditions, brittleness in some AP-based composites, and difficulties in balancing the addition of metallic materials. DIW faces challenges in managing increased viscosity at high solid and energetic content, leading to manufacturing difficulties and the need for binder system optimization. SLA struggles with maintaining resin transparency, balancing mechanical strength with other properties, optimizing curing parameters, and improving the bonding between matrix and solid particles.&lt;/div&gt;&lt;div&gt;Future research is expected to focus on developing thermoplastic binders for FDM, exploring energetic copolymer binders and advanced rheological models for DIW, and creating high-energy photopolymer resins whi","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 224-263"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614819","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(25)00040-5","DOIUrl":"10.1016/S2666-6472(25)00040-5","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Page ii"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614820","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(25)00041-7","DOIUrl":"10.1016/S2666-6472(25)00041-7","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages iii-v"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614821","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":"Storage stability and safe storage life assessments of gradiently denitrated spherical gun propellants","authors":"Gang Wang ,&nbsp;Hao Chen ,&nbsp;Shi-ying Li ,&nbsp;Qi Yang ,&nbsp;Yu-dong Shi ,&nbsp;Ya-jun Ding ,&nbsp;Zhong-liang Xiao","doi":"10.1016/j.enmf.2024.09.006","DOIUrl":"10.1016/j.enmf.2024.09.006","url":null,"abstract":"<div><div>As a new type of gun propellant, Gradiently denitrated spherical gun propellants (GDSP) demonstrate excellent progressive combustion performance and clean combustion performance. However, its unknown storage performance hinders its application, necessitating thorough research. In this study, three types of GDSP samples with different degrees of denitration were prepared using the denitration reaction principle and aging experiments were conducted at different temperatures. SEM and FT-IR characterization revealed changes in the surface microstructure of aged GDSP, while the shape and surface chemical functional groups remained largely unchanged. Oxygen bomb calorimetric method and DSC tests indicated that aging led to a slight decrease in the energy and apparent activation energy of GDSP, as well as a reduction in thermal decomposition stability. Closed vessel tests demonstrated that the maximum dynamic vivacity initially increased and then decreased with prolonged aging, but progressive combustion performance was maintained. Additionally, changes in stabilizer content during aging were assessed using HPLC, determining the safe storage life of GDSP with different degrees of denitration at 30 °C to be 41.9, 62.0 and 81.3 years, respectively. It was concluded that a higher degree of denitration correlates with a longer safe storage life of GDSP. The thermally accelerated aging mechanism of GDSP and the life extension mechanism of denitration treatment are also discussed detailly. These results demonstrate that GDSP possesses excellent storage stability and a long safe storage life, laying the foundation for its application.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 212-223"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614818","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":"Shock response in cage-like polynitrocubane high-energy-density materials: Competition between strain energy and structural symmetry","authors":"Qing-guan Song ,&nbsp;Li Meng ,&nbsp;Sheng-li Jiang ,&nbsp;Lei Zhang ,&nbsp;Ze-yao Mo","doi":"10.1016/j.enmf.2025.05.001","DOIUrl":"10.1016/j.enmf.2025.05.001","url":null,"abstract":"<div><div>The cage-like structures provide a unique combination of strain energy for enhanced energy storage and hyperstatic constraints to stabilize the system, positioning them as promising pioneers in advancing high-energy-density materials (HEDMs). However, the shock response of cage-like HEDMs is highly complex and exhibits significant variability, posing a grand challenge in the underlying mechanisms. This study reveals that the shock response of cage-like HEDMs is regulated by the interplay between strain energy and structural symmetry, and introduces a physical model to quantitatively describe how they determine shock stability. The investigated systems include a comprehensive series of cage-like polynitrocubane HEDMs, with each carbon atom in the backbone progressively functionalized with nitro groups. <em>Ab initio</em> molecular dynamics (AIMD) simulations were employed to simulate dynamic and kinetic responses at shock velocities ranging from 8 km·s⁻¹ to 11 km·s⁻¹, with validation provided by consistent Hugoniot curves that align with reported experimental data. Nitro groups at the carbon-based cage structure, recognized as explosion functional groups, were found to substantially increase the system's strain energy. However, an increasing number of nitro groups also intensified electrostatic repulsion among oxygen lone pairs, which weakens structural integrity and renders the material more susceptible to disassembly under shock conditions. Conversely, structural symmetry—including both the cage-like molecular conformation and spatial packing within the crystal lattice—was found to mitigate these destabilizing effects, effectively balancing the trade-off between energy storage and structural stability. Based on these findings, we propose a physical model that captures the essential factors driving shock initiation in cage-like polynitrocubane HEDMs, offering new insights to inform the design and application of novel advanced HEDMs.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 145-155"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614822","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":"PBX micro defect characterization by using deep learning and image processing of micro CT images","authors":"Liang-liang Lv ,&nbsp;Wei-bin Zhang ,&nbsp;Xiao-dong Pan ,&nbsp;Gong-ping Li ,&nbsp;Cui Zhang","doi":"10.1016/j.enmf.2025.02.002","DOIUrl":"10.1016/j.enmf.2025.02.002","url":null,"abstract":"<div><div>Polymer bonded explosive (PBX) is a composite explosive mainly made up of explosive crystals and binders. The presence of cracks and impurities within PBX impacts its mechanical properties and detonation performance. The highly filled granular nature and heterogeneous characteristics of PBX's internal structure, combined with the low contrast and small proportion of defects in PBX, present significant challenges for the precise segmentation and quantification of internal defects in PBX. In this paper, we proposed PBX_SegNet for PBX defect segmentation based on convolutional neural network. The PBX_SegNet is built on the encoder–decoder architecture of U-Net. We optimize the structure of skip connection in PBX_SegNet and introduce a concurrent spatial and channel squeeze and excitation (SCSE) module on each stage in the encoder network and in the decoder network. We train and evaluate PBX_SegNet on PBX defect dataset which consists of images acquired by micro computed tomography (μCT). Using the same test dataset, the proposed method was compared and evaluated against four mainstream segmentation methods based on deep learning. The results demonstrate that PBX_SegNet realizes the simultaneous segmentation of PBX cracks and impurities, and further completes the quantitative characterization of PBX cracks and impurities by processing the segmentation results using image processing methods. PBX_SegNet achieves Dice score (<em>DICE</em>) of 0.9965, crack relative area (<em>RA</em>_<em>C</em>) of 0.9033 and impurity relative area (<em>RA</em>_<em>I</em>) of 0.9511 on the three PBX defect datasets in average, which outperforms the current four state-of-the-art methods and improves the low contrast and small proportion of defect segmentation and quantification characterization capabilities. The proposed method shows promise for segmenting subtle, low-contrast defects in images from various domains or imaging techniques.</div></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"6 2","pages":"Pages 177-188"},"PeriodicalIF":3.3,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614288","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}