期刊文献+
共找到135篇文章
< 1 2 7 >
每页显示 20 50 100
A review of ultra-high temperature heat-resistant energetic materials
1
作者 Rongzheng Zhang Yuangang Xu +4 位作者 Feng Yang Pengcheng Wang Qiuhan Lin Hui Huang Ming Lu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第8期33-57,共25页
Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed tha... Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point,high stability and operational safety. By studying the structures of these energetic materials has showed that the thermal stability can be enhanced by introducing amino groups to form intra/inter-molecular hydrogen bonds, constructing conjugate systems and designing symmetrical structures. This article aims to review the physical and chemical properties of ultra-high temperature heat-resistant energetic compounds and provide valuable theoretical insights for the preparation of ultra-high temperature heatresistant energetic materials. We also analyze the selected 20 heat-resistant energetic materials with decomposition temperatures higher than 350℃, serving as templates for the synthesis of various highperformance heat-resistant energetic materials. 展开更多
关键词 Heat-resistant energetic materials Organic synthesis CONJUGATED Hydrogen bond Symmetrical structure STABILIZATION
下载PDF
Hybrid HMX multi-level assembled under the constraint of 2D materials with efficiently reduced sensitivity and optimized thermal stability
2
作者 Xiaomin Song Longjin Huang +3 位作者 Rufang Peng Qi Huang Jinjiang Xu Jie Sun 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第9期123-132,共10页
The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention.However,screening suitable coating agents to enhance the ... The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention.However,screening suitable coating agents to enhance the interfacial effect to obtain high-energy and low-sensitivity explosives has long been a major challenge.In this work,HMX-PEI/rGO/g-C_(3)N_(4)(HPrGC)composites were innovatively prepared by a multi-level coating strategy of two-dimensional graphite rGO and g-C_(3)N_(4).The g-C_(3)N_(4) used for desensitization has a richπ-conjugated system and shows outstanding ability in reducing friction sensitivity.The hierarchical structure of HPrGC formed by electrostatic self-assembly andπ-πstacking can effectively dissipate energy accumulation under heat and mechanical stimulation through structural evolution,thus exhibiting a prominent synergistic desensitization effect on HMX.The results show that rGO/gC_(3)N_(4) coating has no effect on the crystal structure and chemical structure of HMX.More importantly,the perfect combination of g-C_(3)N_(4) and rGO endows HPrGC with enhanced thermal stability and ideal mechanical sensitivity(IS:21 J,FS:216 N).Obviously,the new fabrication of HPrGC enriches the variety of desensitizer materials and helps to deepen the understanding of the interaction between explosives and coatings. 展开更多
关键词 HMX-PEI/rGO/g-C_(3)N_(4) Electrostatic self-assembly π-πstacking Synergistic desensitization
下载PDF
Tuning energy output of PTFE/Al composite materials through gradient structure 被引量:1
3
作者 Yao-feng Mao Qian-qian He +3 位作者 Jian Wang Chuan-hao Xu Jun Wang Fu-de Nie 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第8期134-142,共9页
As a typical energetic composite,polytetrafluoroethylene(PTFE)/aluminum(Al)has been widely applied in explosives,pyrotechnics,and propellants due to its ultra-high energy density and intense exothermic reaction.In thi... As a typical energetic composite,polytetrafluoroethylene(PTFE)/aluminum(Al)has been widely applied in explosives,pyrotechnics,and propellants due to its ultra-high energy density and intense exothermic reaction.In this work,the radial gradient(RG)structure of PTFE/Al cylinders with three different PTFE morphologies(200 nm and 5μm particles and 5μm fiber)and content changes are prepared by 3D printing technology.The effect of radial gradient structure on the pressure output of PTFE/Al has been studied.Compared with the morphology change of PTFE,the change of component content in the gradient structure has an obvious effect on the pressure output of the PTFE/Al cylinder.Furthermore,the relationships of the morphology,content of PTFE and the combustion reaction of the PTFE/Al cylinder reveal that the cylinder shows a more complex flame propagation process than others.These results could provide a strategy to improve the combustion and pressure output of PTFE/Al. 展开更多
关键词 PTFE/Al composite Gradient structure Radial gradient Pressure output
下载PDF
Developing a highly scalable synthetic strategy for 5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,b-dioxide(CL-18)and investigating the influence of crystal engineering and positional isomerization on its safety and laser ignition performance
4
作者 Lei Yang Zhenqi Zhang +2 位作者 Wei Du Jinshan Li Qing Ma 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第11期13-21,共9页
5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and ... 5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and safety risks.In this study,we have developed a simple and safe synthetic route for CL-18.It was synthesized from 3,5-dihaloanisole in a four-step reaction with an overall yield exceeding 60%,surpassing all reported yields in the literature.Subsequently,recrystallization of CL-18 was successfully achieved by carefully selecting appropriate solvents and antisolvents to reduce its mechanical sensitivity.Ultimately,when DMF-ethanol was employed as the recrystallization solvent system,satisfactory product yield(>90%)and reduced mechanical sensitivity(IS=15 J;FS=216 N)were obtained.Additionally,CL-18 is derived from the rearrangement of oxygen atoms on i-CL-18 furoxan,and a comparative analysis of their physicochemical properties was conducted.The thermal stability of both compounds is similar,with onset decomposition temperatures recorded at 186 and 182℃respectively.Similarly,they exhibit 5 s breaking point temperatures of 236 and 237℃.Additionally,we present novel insights into the positional-isomerization-laser-ignition performance of CL-18 and its isomer i-CL-18 using laser irradiation for the first time.Remarkably,our findings demonstrate that i-CL-18 exhibits enhanced laser sensitivity,as it can be directly ignited by a 1064 nm wavelength laser,whereas CL-18 lacks this characteristic. 展开更多
关键词 Initiating explosive Synthetic method Crystal engineering Positional isomerization Laser ignition
下载PDF
Revealing Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles in oxygen/fluorine containing environments:A reactive molecular dynamics study meshing together experimental validation
5
作者 Gang Li Chuande Zhao +2 位作者 Qian Yu Fang Yang Jie Chen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第4期313-327,共15页
Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For inst... Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel. 展开更多
关键词 Al-O/Al—F reaction Kinetic benefits Thermodynamic benefits Molecular dynamics COMBUSTION
下载PDF
Construction of core@double-shell structured energetic composites with simultaneously enhanced thermal stability and safety performance
6
作者 Peng Wang Wen Qian +6 位作者 Ruolei Zhong Fangfang He Xin Li Jie Chen Li Meng Yinshuang Sun Guansong He 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第4期134-142,共9页
The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricat... The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above issues.The coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer shell.The resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer shell.The phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene composites.Meanwhile,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell structure.In general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials. 展开更多
关键词 CL-20 Double-shell structure Thermal stability Safety performance Tannic acid Graphene sheets
下载PDF
Significantly enhanced thermal stability of HMX by phase-transition lysozyme coating
7
作者 Jiahui Liu Congmei Lin +3 位作者 Jianhu Zhang Chengcheng Zeng Zhijian Yang Fude Nie 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第5期60-68,共9页
A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transitio... A new robust bio-inspired route by using lysozyme aqueous solution for surface modification on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)was described in this paper.HMX crystals were coated by in situ phase transition of lysozyme(PTL)molecules.The HMX decorated by PTL was characterized by SEM,XRD,FTIR and XPS,demonstrating a dense core-shell coating layer.The coverage of lysozyme on HMX crystal was calculated by the ratio of sulfur content.The surface coverage increased from 60.5% to 93.5% when the content of PTL was changed from 0.5 wt% to 2.0 wt%,indicating efficient coating.The thermal stability of HMX was investigated by in situ XRD and DSC.The thermal phase transition temperature of HMX(β to δ phase)was delayed by 42℃ with 2.0 wt% PTL coating,which prevented HMX from thermal damage and sensitivity by the effect of PTL coating.After heating at 215℃,large cracks appeared in the naked HMX crystal,while the PTL coated HMX still maintained intact,with the impact energy of HMX dropped dramatically from 5 J to 2 J.However,the impact energy of HMX with 1.0 wt% and 2.0 wt% coating content(HMX@PTL-1.0 and HMX@PTL-2.0)was unchanged(5 J).Present results potentially enable large-scale fabrication of polymorphic energetic materials with outstanding thermal stability by novel lysozyme coating. 展开更多
关键词 HMX LYSOZYME Phase transition Thermal stability Sensitivity
下载PDF
Microfluidic preparation of surfactant-free ultrafine DAAF with tunable particle size for insensitive initiator explosives
8
作者 Bo Yang Rui Li +9 位作者 Wei Cao Si-min He Jincan Zhu Qi Wu Heng Ding Jin Chen Weimiao Wang Zhiqiang Qiao Xiaodong Li Guangcheng Yang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第9期42-52,共11页
High purity and ultrafine DAAF(u-DAAF)is an emerging insensitive charge in initiators.Although there are many ways to obtain u-DAAF,developing a preparation method with stable operation,accurate control,good quality c... High purity and ultrafine DAAF(u-DAAF)is an emerging insensitive charge in initiators.Although there are many ways to obtain u-DAAF,developing a preparation method with stable operation,accurate control,good quality consistency,equipment miniaturization,and minimum manpower is an inevitable requirement to adapt to the current social technology development trend.Here reported is the microfluidic preparation of u-DAAF with tunable particle size by a passive swirling microreactor.Under the guidance of recrystallization growth kinetics and mixing behavior of fluids in the swirling microreactor,the key parameters(liquid flow rate,explosive concentration and crystallization temperature)were screened and optimized through screening experiments.Under the condition that no surfactant is added and only experimental parameters are controlled,the particle size of recrystallized DAAF can be adjusted from 98 nm to 785 nm,and the corresponding specific surface area is 8.45 m^(2)·g^(-1)to 1.33 m^(2)·g^(-1).In addition,the preparation method has good batch stability,high yield(90.8%-92.6%)and high purity(99.0%-99.4%),indicating a high practical application potential.Electric explosion derived flyer initiation tests demonstrate that the u-DAAF shows an initiation sensitivity much lower than that of the raw DAAF,and comparable to that of the refined DAAF by conventional spraying crystallization method.This study provides an efficient method to fabricate u-DAAF with narrow particle size distribution and high reproducibility as well as a theoretical reference for fabrication of other ultrafine explosives. 展开更多
关键词 Microfluidic preparation Screening crystallization conditions Narrow particle size distribution Low initiation sensitivity Ultrafine DAAF
下载PDF
Fluorinated semi-interpenetrating polymer networks for enhancing the mechanical performance and storage stability of polymer-bonded explosives by controlling curing and phase separation rates
9
作者 Chao Deng Huihui Liu +1 位作者 Yongping Bai Zhen Hu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第8期58-66,共9页
Herein, the effect of fluoropolymer binders on the properties of polymer-bonded explosives(PBXs) was comprehensively investigated. To this end, fluorinated semi-interpenetrating polymer networks(semiIPNs) were prepare... Herein, the effect of fluoropolymer binders on the properties of polymer-bonded explosives(PBXs) was comprehensively investigated. To this end, fluorinated semi-interpenetrating polymer networks(semiIPNs) were prepared using different catalyst amounts(denoted as F23-CLF-30-D). The involved curing and phase separation processes were monitored using Fourier-transform infrared spectroscopy, differential scanning calorimetry, a haze meter and a rheometer. Curing rate constant and activation energy were calculated using a theoretical model and numerical method, respectively. Results revealed that owing to its co-continuous micro-phase separation structure, the F23-CLF-30-D3 semi-IPN exhibited considerably higher tensile strength and elongation at break than pure fluororubber F2314 and the F23-CLF-30-D0 semi-IPN because the phase separation and curing rates matched in the initial stage of curing.An arc Brazilian test revealed that F23-CLF-30-D-based composites used as mock materials for PBXs exhibited excellent mechanical performance and storage stability. Thus, the matched curing and phase separation rates play a crucial role during the fabrication of high-performance semi-IPNs;these factors can be feasibly controlled using an appropriate catalyst amount. 展开更多
关键词 Semi-interpenetrating polymer networks FLUOROPOLYMER Curing rate Phase separation rate Polymer-bonded explosives
下载PDF
Construct a 3D microsphere of HMX/B/Al/PTFE to obtain the high energy and combustion reactivity
10
作者 Jian Wang Jie Chen +4 位作者 Yaofeng Mao Yongjun Deng Wei Cao Fude Nie Jun Wang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第2期45-54,共10页
Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy density.Unfortunately,the low combustion efficien... Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy density.Unfortunately,the low combustion efficiency and reactivity of metal fuels,especially boron(B),severely limit their practical applications.Herein,multi-component 3D microspheres of HMX/B/Al/PTFE(HBA)have been designed and successfully prepared by emulsion and solvent evaporation method to achieve superior energy and combustion reactivity.The reactivity and energy output of HBA are systematically measured by ignitionburning test,constant-volume explosion vessel system and bomb calorimetry.Due to the increased interfacial contact and reaction area,HBA shows higher flame propagation rate,faster pressurization rate and larger combustion heat of 29.95 cm/s,1077 kPa/s,and 6164.43 J/g,which is 1.5 times,3.5 times,and 1.03 times of the physical mixed counterpart(HBA-P).Meanwhile,HBA also shows enhanced energy output and reactivity than 3D microspheres of HMX/B/PTFE(HB)resulting from the high reactivity of Al.The reaction mechanism of 3D microspheres is comprehensively investigated through combustion emission spectral and thermal analysis(TG-DSC-MS).The superior reactivity and energy of HBA originate from the surface etching of fluorine to the inert shell(Al_(2)O_(3) and B_(2)O_(3))and the initiation effect of Al to B.This work offers a promising approach to design and prepare high-performance energetic materials for the practical applications. 展开更多
关键词 HMX/B/Al/PTFE 3D microspheres Surface etching Reaction mechanism
下载PDF
Shock-induced energy localization and reaction growth considering chemical-inclusions effects for crystalline explosives
11
作者 Ruqin Liu Yanqing Wu +3 位作者 Xinjie Wang Fenglei Huang Xiaona Huang Yushi Wen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期278-294,共17页
Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall phy... Chemical inclusions significantly alter shock responses of crystalline explosives in macroscale gap experiments but their microscale dynamics origin remains unclear.Herein shock-induced energy localization,overall physical responses,and reactions in a-1,3,5-trinitro-1,3,5-triazinane(a-RDX)crystal entrained various chemical inclusions were investigated by the multi-scale shock technique implemented in the reactive molecular dynamics method.Results indicated that energy localization and shock reaction were affected by the intrinsic factors within chemical inclusions,i.e.,phase states,chemical compositions,and concentrations.The atomic origin of chemical-inclusions effects on energy localization is dependent on the dynamics mechanism of interfacial molecules with free space volume,which includes homogeneous intermolecular compression,interfacial impact and shear,and void collapse and jet.As introducing various chemical inclusions,the initiation of those dynamics mechanisms triggers diverse decay rates of bulk RDX molecules and hereby impacts on growth speeds of final reactions.Adding chemical inclusions can reduce the effectiveness of the void during the shock impacting.Under the shockwave velocity of 9 km/s,the parent RDX decay rate in RDX entrained amorphous carbon decreases the most and is about one fourth of that in RDX with a vacuum void,and solid HMX and TATB inclusions are more reactive than amorphous carbon but less reactive than dry air or acetone inclusions.The lessdense shocking system denotes the greater increases in local temperature and stress,the faster energy liberation,and the earlier final reaction into equilibrium,revealing more pronounced responses to the present intense shockwave.The quantitative models associated with the relative system density(RD_(sys))were proposed for indicating energy-localization mechanisms and evaluating initiation safety in the shocked crystalline explosive.RD_(sys)is defined by the density ratio of defective RDX to perfect crystal after dynamics relaxation and reveals the global density characteristic in shocked systems filled with chemical inclusions.When RD_(sys)is below 0.9,local hydrodynamic jet initiated by void collapse dominates upon energy localization instead of interfacial impact.This study sheds light on novel insights for understanding the shock chemistry and physical-based atomic origin in crystalline explosives considering chemical-inclusions effects. 展开更多
关键词 Shock responses Energy localization Crystalline explosives Chemical inclusions Reactive molecular dynamics
下载PDF
Spontaneous ignition of corrugated cardboard under dynamic high radiant flux
12
作者 Liu Liu Yan Gu +10 位作者 Hong Yang Xing Wang Yang Zhou Xiaogan Dai Yong Han Shanggang Wen Ming Li Congmei Lin Changgen Feng Fei Tang Yushi Wen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第10期65-77,共13页
Understanding the response of solid combustibles under high radiant fluxes is critical in predicting the thermal damage from extreme scenarios.Unlike the more moderate radiant fluxes in conventional hydrocarbon fires,... Understanding the response of solid combustibles under high radiant fluxes is critical in predicting the thermal damage from extreme scenarios.Unlike the more moderate radiant fluxes in conventional hydrocarbon fires,extreme events such as strong explosion,concentrated sunlight and directed energy can generate dynamic radiant fluxes at the MW/m^(2) level,creating a unique threat to materials.This study investigates the pyrolysis and spontaneous ignition behaviors of corrugated cardboard by using both experimental and numerical methods,under 10-cm dynamic high radiant fluxes ranging from 0.2 to 1.25 MW/m^(2) for 10 s.The spontaneous ignition process at dynamic high radiant fluxes was recorded and quantified.Two ignition modes were found at the critical radiant flux of 0.4 MW/m^(2),namely hot-gas spontaneous ignition and hot-residue piloted ignition.The latter is not the focus of this paper due to its extremely small probability of occurrence.The research reveals that the increase in flux intensity induces shorter delay times for both pyrolysis and ignition,lower ignition energy density,along with a corresponding rise in the critical mass flux and surface temperature at ignition moment.The simulation results are generally aligned with the experimental findings,despite some divergences may be attributed to model simplifications and parameter assumptions.The work contributes to a deeper insight into material behavior under extreme radiation,with valuable implications for fire safety and hazard assessment. 展开更多
关键词 Extreme radiation Fire safety Corrugated cardboard PYROLYSIS Ignition temperature
下载PDF
Construction and Properties of Structure-and Size-controlled Micro/Nano-energetic Materials 被引量:20
13
作者 HUANG Bing CAO Minhua +2 位作者 NIE Fude HUANG Hui HU Changwen 《Defence Technology(防务技术)》 SCIE EI CAS 2013年第2期75-103,共29页
The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development... The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development of the construction strategies for achieving zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) micro/nanostructures from energetic molecules is introduced. Also, an overview of the unique properties induced by micro/nanostructures and size effects is provided. Special emphasis is focused on the size-dependent properties that are different from those of the conventional micro-sized energetic materials, such as thermal decomposition, sensitivity, combustion and detonation, and compaction behaviors. A conclusion and our view of the future development of micro/nano-energetic materials and devices are given. 展开更多
关键词 applied chemistry STRUCTURE SIZE micro/nano-energetic materials construction technology PROPERTY
下载PDF
Machine Learning-Assisted High-Throughput Virtual Screening for On-Demand Customization of Advanced Energetic Materials 被引量:7
14
作者 Siwei Song Yi Wang +2 位作者 Fang Chen Mi Yan Qinghua Zhang 《Engineering》 SCIE EI 2022年第3期99-109,共11页
Finding energetic materials with tailored properties is always a significant challenge due to low research efficiency in trial and error.Herein,a methodology combining domain knowledge,a machine learning algorithm,and... Finding energetic materials with tailored properties is always a significant challenge due to low research efficiency in trial and error.Herein,a methodology combining domain knowledge,a machine learning algorithm,and experiments is presented for accelerating the discovery of novel energetic materials.A high-throughput virtual screening(HTVS)system integrating on-demand molecular generation and machine learning models covering the prediction of molecular properties and crystal packing mode scoring is established.With the proposed HTVS system,candidate molecules with promising properties and a desirable crystal packing mode are rapidly targeted from the generated molecular space containing 25112 molecules.Furthermore,a study of the crystal structure and properties shows that the good comprehensive performances of the target molecule are in agreement with the predicted results,thus verifying the effectiveness of the proposed methodology.This work demonstrates a new research paradigm for discovering novel energetic materials and can be extended to other organic materials without manifest obstacles. 展开更多
关键词 Energetic materials Machine learning High-throughput virtual screening Molecular properties Synthesis
下载PDF
Construction of an Unusual Two-Dimensional Layered Structure for Fused-Ring Energetic Materials with High Energy and Good Stability 被引量:3
15
作者 Yongan Feng Mucong Deng +3 位作者 Siwei Song Sitong Chen Qinghua Zhang Jean’ne M.Shreeve 《Engineering》 SCIE EI 2020年第9期1136-1143,共8页
制造具有良好机械感度的高性能含能材料在过去几十年里一直是一项重大挑战,因为这类蕴含巨大能量的材料存在内在的不稳定性。本文研究了一种极具潜力的稠环含能材料:4-硝基-7-叠氮基-吡唑-[3,4-d]-1,2,3-三嗪-2-氧(NAPTO)。这种物质具... 制造具有良好机械感度的高性能含能材料在过去几十年里一直是一项重大挑战,因为这类蕴含巨大能量的材料存在内在的不稳定性。本文研究了一种极具潜力的稠环含能材料:4-硝基-7-叠氮基-吡唑-[3,4-d]-1,2,3-三嗪-2-氧(NAPTO)。这种物质具有不同寻常的二维(2D)层状结构,其绝对结构已经单晶X射线衍射证实。研究显示,这一结构新颖的含能物质具有惊人的能量[如爆速(D)高达9.12 km·s^-1,爆压(P)为35.1 GPa]、优异的机械感度[撞击感度(IS)为18 J、摩擦感度(FS)为325 N、静电感度(EDS)为0.32 J]和良好的热分解温度(203.2℃),展示出高能量与低感度的双重优势。据我们所知,NAPTO是首个具有二维层状结构的稠环含能材料。与此同时,运用分子模拟分析了其在外界机械刺激下的稳定机制,结果表明,该含能材料超平的二维层状结构比其他结构更能有效地缓冲外界机械刺激,从而将作用在材料上的机械能转化为晶体的层间滑动与压缩。本研究从实验和理论两个方面揭示了稠环二维层状结构在制造先进含能材料方面的巨大潜力。 展开更多
关键词 含能材料 稠环杂环化合物 二维层状结构 高能量 稳定性 感度
下载PDF
Deflagration to detonation transition in weakly confined conditions for a type of potentially novel green primary explosive:Al/Fe_(2)O_(3)/RDX hybrid nanocomposites 被引量:2
16
作者 Qing-ping Luo Xin-ping Long +2 位作者 Fu-de Nie Gui-xiang Liu Chao Wu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第4期28-36,共9页
The properties of the combustion and deflagration to detonation transition(DDT)of Al/Fe_(2)O_(3)/RDX hybrid nanocomposites,a type of potentially novel lead-free primary explosives,were tested in weakly confined condit... The properties of the combustion and deflagration to detonation transition(DDT)of Al/Fe_(2)O_(3)/RDX hybrid nanocomposites,a type of potentially novel lead-free primary explosives,were tested in weakly confined conditions,and the interaction of Al/Fe_(2)O_(3)nanothermite and RDX in the DDT process was studied in detail.Results show that the amount of the Al/Fe_(2)O_(3)nanothermite has a great effect on the DDT properties of Al/Fe_(2)O_(3)/RDX nanocomposites.The addition of Al/Fe_(2)O_(3)nanothermite to RDX apparently improves the firing properties of RDX.A small amount of Al/Fe_(2)O_(3)nanothermite greatly increases the initial combustion velocity of Al/Fe_(2)O_(3)/RDX nanocomposites,accelerating their DDT process.When the contents of Al/Fe_(2)O_(3)nanothermite are less than 20 wt%,the DDT mechanisms of Al/Fe_(2)O_(3)/RDX nanocomposites follow the distinct abrupt mode,and are consistent with that of RDX,though their DDT processes are different.The RDX added into the Al/Fe_(2)O_(3)nanothermite increases the latter's peak combustion velocity and makes it generate the DDT when the RDX content is at least 10 wt%.RDX plays a key role in the shock compressive combustion,the formation and the properties of the DDT in the flame propagation of nanocomposites.Compared with RDX,the fast DDT of Al/Fe_(2)O_(3)/RDX nanocomposites could be obtained by adjusting the chemical constituents of nanocomposites. 展开更多
关键词 Green primary explosives Al/Fe_(2)O_(3)/RDX nanocomposites Deflagration to detonation transition Mechanism
下载PDF
Quantum Chemical Investigations on the Structures,Stabilities and Decompositions of Trinitrobenzenes and Their Chloro Derivatives
17
作者 tGONG Xuedong XIAO Heming DONG Haishan 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1999年第2期60-65,共6页
The molecular geometries,heats of formation and electronic structures of three trinitrobenzenes(1,2,3TNB,1,2,4TNB and 1,3,5TNB)and their chloro derivatives were studied by using the quantum chemical MO AM1 method at t... The molecular geometries,heats of formation and electronic structures of three trinitrobenzenes(1,2,3TNB,1,2,4TNB and 1,3,5TNB)and their chloro derivatives were studied by using the quantum chemical MO AM1 method at the RHF level and ab initio method at the HF/321G level.The decompositions of the title compounds were investigated by using the AM1 method at the UHF level.The decomposition activation energies were obtained and the order of the relative stabilities of the title compounds is found.The substituent effects on the structures and properties and on the decompositions of the title compounds are discussed in the present paper. 展开更多
关键词 Trinitrobenzene Molecular orbital method Molecular structure STABILITY Decomposition method Molecular structure Stability Decomposition
下载PDF
Toward high-efficiency perovskite solar cells with one-dimensional oriented nanostructured electron transport materials 被引量:1
18
作者 Yinhua Lv Bing Cai +3 位作者 Ruihan Yuan Yihui Wu Quinn Qiao Wen-Hua Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第7期66-87,I0003,共23页
The unique advantages of one-dimensional(1D)oriented nanostructures in light-trapping and chargetransport make them competitive candidates in photovoltaic(PV)devices.Since the emergence of perovskite solar cells(PSCs)... The unique advantages of one-dimensional(1D)oriented nanostructures in light-trapping and chargetransport make them competitive candidates in photovoltaic(PV)devices.Since the emergence of perovskite solar cells(PSCs),1D nanostructured electron transport materials(ETMs)have drawn tremendous interest.However,the power conversion efficiencies(PCEs)of these devices have always significantly lagged behind their mesoscopic and planar counterparts.High-efficiency PSCs with 1D ETMs showing efficiency over 22%were just realized in the most recent studies.It yet lacks a comprehensive review covering the development of 1D ETMs and their application in PSCs.We hence timely summarize the advances in 1D ETMs-based solar cells,emphasizing on the fundamental and optimization issues of charge separation and collection ability,and their influence on PV performance.After sketching the classification and requirements for high-efficiency 1D nanostructured solar cells,we highlight the applicability of 1D TiO_(2)nanostructures in PSCs,including nanotubes,nanorods,nanocones,and nanopyramids,and carefully analyze how the electrostatic field affects cell performance.Other kinds of oriented nanostructures,e.g.,ZnO and SnO_(2)ETMs,are also described.Finally,we discuss the challenges and propose some potential strategies to further boost device performance.This review provides a broad range of valuable work in this fast-developing field,which we hope will stimulate research enthusiasm to push PSCs to an unprecedented level. 展开更多
关键词 1D nanostructures Perovskite solar cells Electron transport materials Electrostatic field High-efficiency
下载PDF
Modulating J-V hysteresis of planar perovskite solar cells and mini-modules via work function engineering
19
作者 Zenghua Wang Bing Cai +2 位作者 Deyu Xin Min Zhang Xiaojia Zheng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第10期19-29,I0003,共12页
Commercialization of perovskite solar cells(PSCs) requires the development of high-efficiency devices with none current density-voltage(J-V) hysteresis. Here, electron transport layers(ETLs) with gradual change in wor... Commercialization of perovskite solar cells(PSCs) requires the development of high-efficiency devices with none current density-voltage(J-V) hysteresis. Here, electron transport layers(ETLs) with gradual change in work function(WF) are successfully fabricated and employed as an ideal model to investigate the energy barriers, charge transfer and recombination kinetics at ETL/perovskite interface. The energy barrier for electron injection existing at ETL/perovskite is directly assessed by surface photovoltage microscopy, and the results demonstrate the tunable barriers have significant impact on the J-V hysteresis and performance of PSCs. By work function engineering of ETL, PSCs exhibit PCEs over 21% with negligible hysteresis. These results provide a critical understanding of the origin reason for hysteresis effect in planar PSCs, and clear reveal that the J-V hysteresis can be effectively suppressed by carefully tuning the interface features in PSCs. By extending this strategy to a modified formamidinium-cesium-rubidium(FA-Cs-Rb) perovskite system, the PCEs are further boosted to 24.18%. Moreover, 5 cm × 5 cm perovskite mini-modules are also fabricated with an impressive efficiency of 20.07%, demonstrating compatibility and effectiveness of our strategy on upscaled devices. 展开更多
关键词 J-V hysteresis Work function Planar perovskite solar cells Energy barriers Charge transfer kinetics Perovskite solar modules
下载PDF
Nacre-inspired interface structure design of polymer bonded explosives toward significantly enhanced mechanical performance
20
作者 Peng Wang You-long Chen +6 位作者 Li Meng Yin-shuang Sun Yu Dai Xin Li Jie Chen Zhi-jian Yang Guan-song He 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第9期83-92,共10页
Realizing effective enhancement to the structure of interface region between explosive crystals and polymer binder plays a key role in improving the mechanical properties of the current polymer bonded explosives(PBXs)... Realizing effective enhancement to the structure of interface region between explosive crystals and polymer binder plays a key role in improving the mechanical properties of the current polymer bonded explosives(PBXs).Herein,inspired by the structure of natural nacre which possesses outstanding mechanical performance,a kind of nacre-like structural layer is constructed in the interface region of PBXs composites,making use of two-dimensional graphene sheets and one-dimensional bio-macromolecules of cellulose as inorganic and organic building blocks,respectively.Our results reveal that the constructed nacre-like structural layer can effectively improve the interfacial strength and then endow the PBXs composites with significantly enhanced mechanical properties involving of creep resistance,Brazilian strength and fracture toughness,demonstrating the obvious advantage of such bioinspired interface structure design strategy.In addition,the thermal conduction performance of PBXs composites also exhibits noticeable enhancement due to the remarkable phonon transport capability endowed by the asdesigned nacre-like structural layer.We believe this work provides a novel design route to conquer the issue of weak interfacial strength in PBXs composites and greatly increase the comprehensive properties for better meeting the higher requirements proposed to the explosive part of weapon equipment in new era. 展开更多
关键词 Polymer bonded explosives Nacre-like structural layer GRAPHENE CELLULOSE Mechanical properties
下载PDF
上一页 1 2 7 下一页 到第
使用帮助 返回顶部