Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade...Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.展开更多
Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as ...Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge.Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators,potentially accelerating the development process of energetic materials.In this background,impact sensitivity,detonation performances,and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out.Four machine learning algorithms were employed to predict various properties of energetic materials,including impact sensitivity,detonation velocity,detonation pressure,and Gurney energy.Analysis of Pearson coefficients and feature importance showed that the heat of explosion,oxygen balance,decomposition products,and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials.Oxygen balance,decomposition products,and density have a strong correlation with detonation performances.Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark,the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances:oxygen balance values should be between-40%and-30%,density should range from 1.66 to 1.72 g/cm^(3),HOMO energy levels should be between-6.34 and-6.31 eV,and lipophilicity should be between-1.0 and 0.1,4.49 and 5.59.These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials,but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.展开更多
The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experim...The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experiments,this study used inert materials with similar physical properties to partially substitute for the actual energetic components in the preparation of simulant materials.By thoroughly analyzing slurry physical properties,a simulation framework and an extensive performance evaluation method were developed.Such tools guide the design of the structure and configuration of process parameters.Results demonstrate that employing the Pin element significantly enhances radial mixing within the screw,minimizes temperature variations in the slurry,and improves both efficiency and safety in the mixing process.Further,adjustments such as widening the cone angle of the barrel,modifying the solid content of the slurry,and varying the speed of the screw can optimize the mechanical and thermal coupling in the flow field.These adjustments promote higher-quality slurry and create a safer production environment for the extrusion process.展开更多
The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic el...The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic electronic delocalization strategy,yielding TYX-3,the first bis-inner salt triazolo-tetrazine framework combining these mutually exclusive properties.Uniformπ-electron distribution and elevated bond dissociation energy confer exceptional thermal stability(T_(d)=365℃)with TATB-level insensitivity(impact sensitivity IS>40 J,friction sensitivity FS>360 N).Engineeredπ-stacked networks enable record density(1.99 g·cm^(-3))with detonation performance surpassing HMX benchmarks(detonation velocity 9315 m·s^(-1),detonation pressure 36.6 GPa).Practical implementation in Poly(3-nitratomethyl-3-methyloxetane)(PNMMFO)solid propellants demonstrates 5.4-fold safety enhancement over conventional HMX-based formulations while maintaining equivalent specific impulse.This work establishes a new design paradigm for energetic materials,overcoming the historical trade-offs between molecular stability and energy output through rational zwitterionic engineering.展开更多
Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fl...Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fluids and facilitate droplet formation at the microscale,enables precise control of chemical reactions.Recent scholarly endeavors have increasingly harnessed microfluidic reactors in the realm of energetic materials,yielding morphologically controllable particles with enhanced uniformity and explosive efficacy.However,crucial insights into microfluidic-based methodologies are dispersed across various publications,necessitating a systematic compilation.Accordingly,this review addresses this gap by concentrating on the synthesis of energetic materials through microfluidics.Specifically,the methods based on micro-mixing and droplets in the previous papers are summarized and the strategies to control the critical parameters within chemical reactions are discussed in detail.Then,the comparison in terms of advantages and disadvantages is attempted.As demonstrated in the last section regarding perspectives,challenges such as clogging,dead zones,and suboptimal production yields are non-ignoble in the promising fields and they might be addressed by integrating sound,optics,or electrical energy to meet heightened requirements.This comprehensive overview aims to consolidate and analyze the diverse array of microfluidic approaches in energetic material synthesis,offering valuable insights for future research directions.展开更多
Transient electronics is a versatile tool that finds applications in various fields,including medical biology,environmental protection,and data information security.In the context of data protection,the traditional pa...Transient electronics is a versatile tool that finds applications in various fields,including medical biology,environmental protection,and data information security.In the context of data protection,the traditional passive degradation transient mode is being replaced by the active destruction mode,which features a short self-destruction time and provides greater resistance to recovery.This article presents an overview of recent progress in transient electronics,assessing the benefits and suitability of varying transient mechanisms.The article also analyses the influence of transient electronics on military security while emphasizing the advantages of implementing energetic materials.Besides,the article introduces energetic transient devices and evaluates their ability to support the autonomous operation of transient electronic devices.展开更多
Furazan and furoxan represent fascinating explosophoric units with intriguing structures and unique properties.Compared with other nitrogen-rich heterocycles,most poly furazan and furoxan-based heterocycles demonstrat...Furazan and furoxan represent fascinating explosophoric units with intriguing structures and unique properties.Compared with other nitrogen-rich heterocycles,most poly furazan and furoxan-based heterocycles demonstrate superior energetic performances due to the higher enthalpy of formation and density levels.A large variety of advanced energetic materials have been achieved based on the combination of furazan and furoxan moieties with different kinds of linkers and this review provides an overview of the development of energetic poly furazan and furoxan structures during the past decades,with their physical properties and detonation characteristics summarized and compa red with traditional energetic materials.Various synthetic strategies towards these compact energetic structures are highlighted by covering the most important cyclization methods for construction of the hetercyclic scaffolds and the following modifications such as nitrations and oxidations.Given the synthetic availabilities and outstanding properties,energetic materials based on poly furazan and furoxan structures are undoubtedly listed as a promising candidate for the development of new-generation explosives,propellants and pyrotechnics.展开更多
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
A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the develo...A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the development of proper featurization method based on physicochemical nature of target proprieties can improve the predictive power of ML models with a smaller database.In this work,we show that two new featurization methods,volume occupation spatial matrix and heat contribution spatial matrix,can improve the accuracy in predicting energetic materials' crystal density(ρ_(crystal)) and solid phase enthalpy of formation(H_(f,solid)) using a database containing 451 energetic molecules.Their mean absolute errors are reduced from 0.048 g/cm~3 and 24.67 kcal/mol to 0.035 g/cm~3 and 9.66 kcal/mol,respectively.By leave-one-out-cross-validation,the newly developed ML models can be used to determine the performance of most kinds of energetic materials except cubanes.Our ML models are applied to predict ρ_(crystal) and H_(f,solid) of CHON-based molecules of the 150 million sized PubChem database,and screened out 56 candidates with competitive detonation performance and reasonable chemical structures.With further improvement in future,spatial matrices have the potential of becoming multifunctional ML simulation tools that could provide even better predictions in wider fields of materials science.展开更多
Additive manufacturing(AM),also called three-dimensional(3D)printing,has been developed to obtain energetic materials within the past decade.3D printing represents a family of flexible manufacturing techniques that en...Additive manufacturing(AM),also called three-dimensional(3D)printing,has been developed to obtain energetic materials within the past decade.3D printing represents a family of flexible manufacturing techniques that enable fast and accurate fabrication of structures with complex 3D features and a broad range of sizes,from submicrometer to several meters.Various methods have already been explored,including templating,melting extrusion,inkjet printing and electrospray methods.It was demonstrated that the structure achieved by AM could be used to manipulate the reactivity of energetic or reactive materials by changing the flow of gases and entrained particles via architecture.By employing different AM techniques,energetic materials with controllable nanostructures and uniformly dispersed ingredients can be prepared.It is exciting to tailor the energy release without defaulting to change the formulation of the conventional method.The combustion and mechanical properties of conventional energetic materials can be retained at the same time.In this review,the preparation and characterization of AM energetic materials that have been developed in the last decade are summarized.Various AM techniques used in the fabrication of energetic materials are compared and discussed.In particular,formulations of energetic materials applied in AM,metallic fuels,binders and energetic fillers and their advantages in terms of combustion efficiency and other properties are proposed.展开更多
In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts...In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts, have been presented focusing on the most recent investigations. These classes of compounds, known as high nitrogen compounds, are generally high energy density materials. Therefore, if available some of their ballistic properties were included.展开更多
This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural...This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural motif linked to different nitrogen-rich or nitrogen-oxygen azoles:tetrazole,furazan,furoxan,1,3,4-oxadiazole,pyrazole,and triazole.Particular attention is devoted to the introduction of various energetic groups including nitro,nitramino,azo,azoxy,dinitromethyl,trinitroethyl moieties,and their combination.The physicochemical and available performance parameters including density,decomposition temperature,heat of formation,detonation pressure,detonation velocity,impact sensitivity,and friction sensitivity of typical energetic compounds are also provided and analyzed.Eventually,it was obtained that several screened compounds exhibit superior detonation properties and outstanding insensitivities,which can be classified as a new family of high-performance energetic materials.Additionally,1,2,4-oxadiazole-azoles-based energetic materials still have many thorough works to further exploited and studied,expecting to get very promising insensitive high explosives for practical application and industrialization.展开更多
Critical temperature（Tb） of thermal explosion for energetic materials is estimated from Semenov＇s thermal explosion theory and the non-isothermal kinetic equation da/dt=Aoexp（bT）[1＋（T-T0）b][（a） deduced via r...Critical temperature（Tb） of thermal explosion for energetic materials is estimated from Semenov＇s thermal explosion theory and the non-isothermal kinetic equation da/dt=Aoexp（bT）[1＋（T-T0）b][（a） deduced via reasonable hypotheses, where To is the initial point of the deviation from the baseline of DSC curve. The final formula is （Tb-Te0）{ 1＋1/[1＋（ Tb-T00）b]}=1. We can easily obtain the initial temperature（T0/） and onset temperature（Tci） from the non-isothermal DSC curves, the values of Too and Tc0 from the equation TOi or ei=T00 or c0＋α1βi＋a2βi^2＋…＋aL-2L-2βiL-2, i=1,2,…L, the value of b from the equation： In[β/（Tei-T0i）]=ln[A0/G（a）]＋bTei, so as to calculate the value of Tb. The result obtained with this method coincides completely with the value of Tb obtained by Hu-Yang-Liang-Wu method.展开更多
A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTF...A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTFE and Al particles were used as starting materials. Under high-power ultrasonic waves, the PTFE powder was dispersed into nano-to sub-micrometer-sized particles and then encapsulated the Al microparticles to form the core-shell structure. The heat of combustion, burning rate, and pressurization rate of the powdered CS-PA were measured. The thermal-initiated reaction behavior was further evaluated using thermogravimetry-differential scanning calorimetry. Subsequently, the bulk CS-PA with a uniform microstructure was obtained via cold isostatic pressing of the powdered CS-PA followed by vacuum sintering. For the bulk CS-PA, the quasi-static compression behavior was characterized, and the impact-initiated reaction processes were conducted using the Split Hopkinson Pressure Bar (SHPB) and evaluated by a high-speed camera. Compared to physically mixed PTFE/Al materials, the powdered and bulk CS-PA demonstrated enhanced thermal- and impact-initiated reaction characteristics respectively, proving the effectiveness of our approach for constructing core-shell structures.展开更多
This research aims to contribute to the safe methodology for additive manufacturing(AM)of energetic materials.Coating formulation processes were investigated and evaluated to find a suitable method that may enable sel...This research aims to contribute to the safe methodology for additive manufacturing(AM)of energetic materials.Coating formulation processes were investigated and evaluated to find a suitable method that may enable selective laser sintering(SLS)as the safe method for fabrication of high explosive(HE)compositions.For safety and co nvenie nce reasons,the co ncept demonstration was conducted using inert explosive simulants with properties quasi-similar to the real HE.Coating processes for simulant RDXbased microparticles by means of PCL and 3,4,5-trimethoxybenzaldehyde(as TNT simulant)are reported.These processes were evaluated for uniformity of coating the HE inert simulant particles with binder materials to facilitate the SLS as the adequate binding and fabrication method.Suspension system and single emulsion methods gave required particle near spherical morphology,size and uniform coating.The suspension process appears to be suitable for the SLS of HE mocks and potential formulation methods for active HE composites.The density is estimated to be comparable with the current HE compositions and plastic bonded explosives(PBXs)such as C4 and PE4,produced from traditional methods.The formulation method developed and understanding of the science behind the processes paves the way toward safe SLS of the active HE compositions and may open avenues for further research and development of munitions of the future.展开更多
Key methods developed and used in the USSR and in the Russian Federation to determine the impact and friction sensitivity of energetic materials and explosives have been discussed.Experimental methodologies and instru...Key methods developed and used in the USSR and in the Russian Federation to determine the impact and friction sensitivity of energetic materials and explosives have been discussed.Experimental methodologies and instruments that underlie the assessment of their production and handling safety have been described.Studies of a large number of compounds have revealed relationships between their sensitivity parameters and structure of individual compounds and compositions.The range of change of physical and chemical characteristics for the compounds we examined covers the entire region of their existence.Theoretical methodology and equations have been formulated to estimate the impact and friction sensitivity parameters of energetic materials and to evaluate the technological safety in use.The developed methodology is characterized by high-accuracy calculations and prediction of sensitivity parameters.展开更多
Carbon material is an important additive in energetic materials.Graphene is a monolayer carbon material in which carbon atoms are arranged in two-dimensional honeycomb structure,who has special optical,electrical,and ...Carbon material is an important additive in energetic materials.Graphene is a monolayer carbon material in which carbon atoms are arranged in two-dimensional honeycomb structure,who has special optical,electrical,and mechanical properties.Recently,the application of graphene-based composites in energetic materials has received extensive attention.This review mainly summarizes the applications of graphene and graphene-based nanomaterials in energetic materials.The effects of these materials on the thermal stability,sensitivity,mechanical property,ignition and combustion of energetic materials were discussed.Furthermore,the progress of functionalized modification of graphene has been summarized,including covalent bonding modification and doping modification.These studies show that graphenebased materials exhibit excellent performances and might emerge as promising candidate for energetic materials.展开更多
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
In this study,based on a closed bomb test combined with computational fluid dynamics,a structural finite element method,and an acoustic boundary element method,a fluid-solid acoustic one-way coupling calculation model...In this study,based on a closed bomb test combined with computational fluid dynamics,a structural finite element method,and an acoustic boundary element method,a fluid-solid acoustic one-way coupling calculation model is established for the combustion process of energetic materials in a closed bomb,and the effectiveness of the model is verified by experiments.It is found that the maximum peak sound pressure increases exponentially with an increase in loading doses or gas pressure.However,a change in the combustion coefficient of the energetic materials has little effect on the noise generated during the combustion process in the closed bomb.When the combustion coefficient is reduced by a multiple of 16,the maximum transient sound pressure is reduced by 1.79 dB,and the sound pressure level in the frequency band is reduced by 1.75 dB.With an increase in shell thickness,the combustion noise of the energetic materials in the closed bomb decreases,and the reduction range of the combustion noise increases with the increase in shell thickness.展开更多
The dielectric constant(DC)is one of the key properties for detection of threat materials such as Improvised Explosive Devices(IEDs).In the present paper,the density functional theory(DFT)as well as ab-initio approach...The dielectric constant(DC)is one of the key properties for detection of threat materials such as Improvised Explosive Devices(IEDs).In the present paper,the density functional theory(DFT)as well as ab-initio approaches are used to explore effective methods to predict dielectric constants of a series of 12 energetic materials(EMs)for which experimental data needed to experimentally determine the dielectric constant(refractive indices)are available.These include military grades energetic materials,nitro and peroxide compounds,and the widely used nitroglycerin.Ab-initio and DFT calculations are conducted.In order to calculate dielectric constant values of materials,potential DFT functional combined with basis sets are considered for testing.Accuracy of the calculations are compared to experimental data listed in the scientific literature,and time required for calculations are both evaluated and discussed.The best functional/basis set combinations among those tested are CAM-B3LYP and AUG-ccpVDZm,which provide great results,with accuracy deviations below 5%when calculated results are compared to experimental data.展开更多
文摘Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.2682024GF019)。
文摘Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge.Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators,potentially accelerating the development process of energetic materials.In this background,impact sensitivity,detonation performances,and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out.Four machine learning algorithms were employed to predict various properties of energetic materials,including impact sensitivity,detonation velocity,detonation pressure,and Gurney energy.Analysis of Pearson coefficients and feature importance showed that the heat of explosion,oxygen balance,decomposition products,and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials.Oxygen balance,decomposition products,and density have a strong correlation with detonation performances.Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark,the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances:oxygen balance values should be between-40%and-30%,density should range from 1.66 to 1.72 g/cm^(3),HOMO energy levels should be between-6.34 and-6.31 eV,and lipophilicity should be between-1.0 and 0.1,4.49 and 5.59.These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials,but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.
基金financially supported by the Fundamental Research Funds for the Central Universities(Grant No.30923011018)。
文摘The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experiments,this study used inert materials with similar physical properties to partially substitute for the actual energetic components in the preparation of simulant materials.By thoroughly analyzing slurry physical properties,a simulation framework and an extensive performance evaluation method were developed.Such tools guide the design of the structure and configuration of process parameters.Results demonstrate that employing the Pin element significantly enhances radial mixing within the screw,minimizes temperature variations in the slurry,and improves both efficiency and safety in the mixing process.Further,adjustments such as widening the cone angle of the barrel,modifying the solid content of the slurry,and varying the speed of the screw can optimize the mechanical and thermal coupling in the flow field.These adjustments promote higher-quality slurry and create a safer production environment for the extrusion process.
基金supported by the National Natural Science Foundation of China(Grant Nos.22105156,22175139,22171136,and 22302156)the China National Science Fund for Distinguished Young Scholars(Grant No.22325504)。
文摘The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic electronic delocalization strategy,yielding TYX-3,the first bis-inner salt triazolo-tetrazine framework combining these mutually exclusive properties.Uniformπ-electron distribution and elevated bond dissociation energy confer exceptional thermal stability(T_(d)=365℃)with TATB-level insensitivity(impact sensitivity IS>40 J,friction sensitivity FS>360 N).Engineeredπ-stacked networks enable record density(1.99 g·cm^(-3))with detonation performance surpassing HMX benchmarks(detonation velocity 9315 m·s^(-1),detonation pressure 36.6 GPa).Practical implementation in Poly(3-nitratomethyl-3-methyloxetane)(PNMMFO)solid propellants demonstrates 5.4-fold safety enhancement over conventional HMX-based formulations while maintaining equivalent specific impulse.This work establishes a new design paradigm for energetic materials,overcoming the historical trade-offs between molecular stability and energy output through rational zwitterionic engineering.
基金financially supported by Science and Technology on Applied Physical Chemistry Laboratory,China(Grant No.61426022220303)supported by the Young Scientists Fund of the National Natural Science Foundation of China(Grant No.52305617)。
文摘Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fluids and facilitate droplet formation at the microscale,enables precise control of chemical reactions.Recent scholarly endeavors have increasingly harnessed microfluidic reactors in the realm of energetic materials,yielding morphologically controllable particles with enhanced uniformity and explosive efficacy.However,crucial insights into microfluidic-based methodologies are dispersed across various publications,necessitating a systematic compilation.Accordingly,this review addresses this gap by concentrating on the synthesis of energetic materials through microfluidics.Specifically,the methods based on micro-mixing and droplets in the previous papers are summarized and the strategies to control the critical parameters within chemical reactions are discussed in detail.Then,the comparison in terms of advantages and disadvantages is attempted.As demonstrated in the last section regarding perspectives,challenges such as clogging,dead zones,and suboptimal production yields are non-ignoble in the promising fields and they might be addressed by integrating sound,optics,or electrical energy to meet heightened requirements.This comprehensive overview aims to consolidate and analyze the diverse array of microfluidic approaches in energetic material synthesis,offering valuable insights for future research directions.
基金supported by the National Natural Science Foun-dation of China(Grant No.52206165)Key R&D Projects in Sichuan Province(Grant No.2022YFG0219)。
文摘Transient electronics is a versatile tool that finds applications in various fields,including medical biology,environmental protection,and data information security.In the context of data protection,the traditional passive degradation transient mode is being replaced by the active destruction mode,which features a short self-destruction time and provides greater resistance to recovery.This article presents an overview of recent progress in transient electronics,assessing the benefits and suitability of varying transient mechanisms.The article also analyses the influence of transient electronics on military security while emphasizing the advantages of implementing energetic materials.Besides,the article introduces energetic transient devices and evaluates their ability to support the autonomous operation of transient electronic devices.
基金financial support from the financial support from the National Natural Science Foundation of China(Nos.21805223 and 21805226)the China Postdoctoral Science Foundation(No.2018M633552)the China Scholarship Council(No.201805290006)。
文摘Furazan and furoxan represent fascinating explosophoric units with intriguing structures and unique properties.Compared with other nitrogen-rich heterocycles,most poly furazan and furoxan-based heterocycles demonstrate superior energetic performances due to the higher enthalpy of formation and density levels.A large variety of advanced energetic materials have been achieved based on the combination of furazan and furoxan moieties with different kinds of linkers and this review provides an overview of the development of energetic poly furazan and furoxan structures during the past decades,with their physical properties and detonation characteristics summarized and compa red with traditional energetic materials.Various synthetic strategies towards these compact energetic structures are highlighted by covering the most important cyclization methods for construction of the hetercyclic scaffolds and the following modifications such as nitrations and oxidations.Given the synthetic availabilities and outstanding properties,energetic materials based on poly furazan and furoxan structures are undoubtedly listed as a promising candidate for the development of new-generation explosives,propellants and pyrotechnics.
基金the Science Challenge Project(TZ2018004)the National Natural Science Foundation of China(21875228 and 21702195)for financial support。
文摘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.
基金support from the Ministry of Education(MOE) Singapore Tier 1 (RG8/20)。
文摘A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the development of proper featurization method based on physicochemical nature of target proprieties can improve the predictive power of ML models with a smaller database.In this work,we show that two new featurization methods,volume occupation spatial matrix and heat contribution spatial matrix,can improve the accuracy in predicting energetic materials' crystal density(ρ_(crystal)) and solid phase enthalpy of formation(H_(f,solid)) using a database containing 451 energetic molecules.Their mean absolute errors are reduced from 0.048 g/cm~3 and 24.67 kcal/mol to 0.035 g/cm~3 and 9.66 kcal/mol,respectively.By leave-one-out-cross-validation,the newly developed ML models can be used to determine the performance of most kinds of energetic materials except cubanes.Our ML models are applied to predict ρ_(crystal) and H_(f,solid) of CHON-based molecules of the 150 million sized PubChem database,and screened out 56 candidates with competitive detonation performance and reasonable chemical structures.With further improvement in future,spatial matrices have the potential of becoming multifunctional ML simulation tools that could provide even better predictions in wider fields of materials science.
基金the National Natural Science Foundation of China(Nos.21875020 and 22075024)。
文摘Additive manufacturing(AM),also called three-dimensional(3D)printing,has been developed to obtain energetic materials within the past decade.3D printing represents a family of flexible manufacturing techniques that enable fast and accurate fabrication of structures with complex 3D features and a broad range of sizes,from submicrometer to several meters.Various methods have already been explored,including templating,melting extrusion,inkjet printing and electrospray methods.It was demonstrated that the structure achieved by AM could be used to manipulate the reactivity of energetic or reactive materials by changing the flow of gases and entrained particles via architecture.By employing different AM techniques,energetic materials with controllable nanostructures and uniformly dispersed ingredients can be prepared.It is exciting to tailor the energy release without defaulting to change the formulation of the conventional method.The combustion and mechanical properties of conventional energetic materials can be retained at the same time.In this review,the preparation and characterization of AM energetic materials that have been developed in the last decade are summarized.Various AM techniques used in the fabrication of energetic materials are compared and discussed.In particular,formulations of energetic materials applied in AM,metallic fuels,binders and energetic fillers and their advantages in terms of combustion efficiency and other properties are proposed.
文摘In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts, have been presented focusing on the most recent investigations. These classes of compounds, known as high nitrogen compounds, are generally high energy density materials. Therefore, if available some of their ballistic properties were included.
基金We are thankful to the NSAF(No.U1830134)NSFC(No.21905023 and 22175025)+1 种基金State Key Laboratory of Explosion Science and Technology(No.YBKT21-02)Open Research Fund Program of CAS Key Laboratory of Energy Regulation Materials(No.ORFP2020-01)for their generous financial support.
文摘This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural motif linked to different nitrogen-rich or nitrogen-oxygen azoles:tetrazole,furazan,furoxan,1,3,4-oxadiazole,pyrazole,and triazole.Particular attention is devoted to the introduction of various energetic groups including nitro,nitramino,azo,azoxy,dinitromethyl,trinitroethyl moieties,and their combination.The physicochemical and available performance parameters including density,decomposition temperature,heat of formation,detonation pressure,detonation velocity,impact sensitivity,and friction sensitivity of typical energetic compounds are also provided and analyzed.Eventually,it was obtained that several screened compounds exhibit superior detonation properties and outstanding insensitivities,which can be classified as a new family of high-performance energetic materials.Additionally,1,2,4-oxadiazole-azoles-based energetic materials still have many thorough works to further exploited and studied,expecting to get very promising insensitive high explosives for practical application and industrialization.
基金Supported by the National Natural Science Foundation of China (No.20573098)
文摘Critical temperature（Tb） of thermal explosion for energetic materials is estimated from Semenov＇s thermal explosion theory and the non-isothermal kinetic equation da/dt=Aoexp（bT）[1＋（T-T0）b][（a） deduced via reasonable hypotheses, where To is the initial point of the deviation from the baseline of DSC curve. The final formula is （Tb-Te0）{ 1＋1/[1＋（ Tb-T00）b]}=1. We can easily obtain the initial temperature（T0/） and onset temperature（Tci） from the non-isothermal DSC curves, the values of Too and Tc0 from the equation TOi or ei=T00 or c0＋α1βi＋a2βi^2＋…＋aL-2L-2βiL-2, i=1,2,…L, the value of b from the equation： In[β/（Tei-T0i）]=ln[A0/G（a）]＋bTei, so as to calculate the value of Tb. The result obtained with this method coincides completely with the value of Tb obtained by Hu-Yang-Liang-Wu method.
基金This work was supported by the National Natural Science Foundation of China(No.51571033,11804022)the Science and Technology on Transient Impact Laboratory Foundation(No.6142606183208).
文摘A facile and economical approach was developed for the large-scale production of powdered core-shell structured PTFE/Al (CS-PA) energetic materials through ultrasonic-assisted mixing. The low-cost micrometer-sized PTFE and Al particles were used as starting materials. Under high-power ultrasonic waves, the PTFE powder was dispersed into nano-to sub-micrometer-sized particles and then encapsulated the Al microparticles to form the core-shell structure. The heat of combustion, burning rate, and pressurization rate of the powdered CS-PA were measured. The thermal-initiated reaction behavior was further evaluated using thermogravimetry-differential scanning calorimetry. Subsequently, the bulk CS-PA with a uniform microstructure was obtained via cold isostatic pressing of the powdered CS-PA followed by vacuum sintering. For the bulk CS-PA, the quasi-static compression behavior was characterized, and the impact-initiated reaction processes were conducted using the Split Hopkinson Pressure Bar (SHPB) and evaluated by a high-speed camera. Compared to physically mixed PTFE/Al materials, the powdered and bulk CS-PA demonstrated enhanced thermal- and impact-initiated reaction characteristics respectively, proving the effectiveness of our approach for constructing core-shell structures.
基金funded by the Council for Scientific and Industrial Research(CSIR)。
文摘This research aims to contribute to the safe methodology for additive manufacturing(AM)of energetic materials.Coating formulation processes were investigated and evaluated to find a suitable method that may enable selective laser sintering(SLS)as the safe method for fabrication of high explosive(HE)compositions.For safety and co nvenie nce reasons,the co ncept demonstration was conducted using inert explosive simulants with properties quasi-similar to the real HE.Coating processes for simulant RDXbased microparticles by means of PCL and 3,4,5-trimethoxybenzaldehyde(as TNT simulant)are reported.These processes were evaluated for uniformity of coating the HE inert simulant particles with binder materials to facilitate the SLS as the adequate binding and fabrication method.Suspension system and single emulsion methods gave required particle near spherical morphology,size and uniform coating.The suspension process appears to be suitable for the SLS of HE mocks and potential formulation methods for active HE composites.The density is estimated to be comparable with the current HE compositions and plastic bonded explosives(PBXs)such as C4 and PE4,produced from traditional methods.The formulation method developed and understanding of the science behind the processes paves the way toward safe SLS of the active HE compositions and may open avenues for further research and development of munitions of the future.
文摘Key methods developed and used in the USSR and in the Russian Federation to determine the impact and friction sensitivity of energetic materials and explosives have been discussed.Experimental methodologies and instruments that underlie the assessment of their production and handling safety have been described.Studies of a large number of compounds have revealed relationships between their sensitivity parameters and structure of individual compounds and compositions.The range of change of physical and chemical characteristics for the compounds we examined covers the entire region of their existence.Theoretical methodology and equations have been formulated to estimate the impact and friction sensitivity parameters of energetic materials and to evaluate the technological safety in use.The developed methodology is characterized by high-accuracy calculations and prediction of sensitivity parameters.
基金funding support from Startup Foundation for Docotors of Yan’an University(Grant No.YAU205040372)Project of Science and Technology Office of Shaanxi Province(Grant No.2023-JC-QN-0152)。
文摘Carbon material is an important additive in energetic materials.Graphene is a monolayer carbon material in which carbon atoms are arranged in two-dimensional honeycomb structure,who has special optical,electrical,and mechanical properties.Recently,the application of graphene-based composites in energetic materials has received extensive attention.This review mainly summarizes the applications of graphene and graphene-based nanomaterials in energetic materials.The effects of these materials on the thermal stability,sensitivity,mechanical property,ignition and combustion of energetic materials were discussed.Furthermore,the progress of functionalized modification of graphene has been summarized,including covalent bonding modification and doping modification.These studies show that graphenebased materials exhibit excellent performances and might emerge as promising candidate for energetic materials.
基金supported by the National Natural Science Foundation of China(Grant Nos.21975127,22105102,and 22135003)Young Elite Scientist Sponsorship Program by CAST(Grant No.YESS20210074)the Fundamental Research Funds for the Central Universities(Grant No.30921011204)。
文摘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.
文摘In this study,based on a closed bomb test combined with computational fluid dynamics,a structural finite element method,and an acoustic boundary element method,a fluid-solid acoustic one-way coupling calculation model is established for the combustion process of energetic materials in a closed bomb,and the effectiveness of the model is verified by experiments.It is found that the maximum peak sound pressure increases exponentially with an increase in loading doses or gas pressure.However,a change in the combustion coefficient of the energetic materials has little effect on the noise generated during the combustion process in the closed bomb.When the combustion coefficient is reduced by a multiple of 16,the maximum transient sound pressure is reduced by 1.79 dB,and the sound pressure level in the frequency band is reduced by 1.75 dB.With an increase in shell thickness,the combustion noise of the energetic materials in the closed bomb decreases,and the reduction range of the combustion noise increases with the increase in shell thickness.
文摘The dielectric constant(DC)is one of the key properties for detection of threat materials such as Improvised Explosive Devices(IEDs).In the present paper,the density functional theory(DFT)as well as ab-initio approaches are used to explore effective methods to predict dielectric constants of a series of 12 energetic materials(EMs)for which experimental data needed to experimentally determine the dielectric constant(refractive indices)are available.These include military grades energetic materials,nitro and peroxide compounds,and the widely used nitroglycerin.Ab-initio and DFT calculations are conducted.In order to calculate dielectric constant values of materials,potential DFT functional combined with basis sets are considered for testing.Accuracy of the calculations are compared to experimental data listed in the scientific literature,and time required for calculations are both evaluated and discussed.The best functional/basis set combinations among those tested are CAM-B3LYP and AUG-ccpVDZm,which provide great results,with accuracy deviations below 5%when calculated results are compared to experimental data.
