含能材料的细观损伤

综述了含能材料损伤的研究现状,介绍了损伤的产生、实验模拟及其表征,损伤对含能材料的撞击感度、燃烧及爆轰性能的影响以及损伤本构关系,并进行了相应的评述。对今后需要开展的工作进行了展望。     

含能材料冲击波引发判据的分析

分析含能材料的五种典型冲击波引发的判据和有关数据,认为目前的判据局限于没有考虑装药微结构的影响。据此,提出了用局部化因子修正原判据的新思想。     

Gels as Energy Dissipation Media for Energetic Materials Desensitization

The hypothesis that gels, which have a variety of dissipation mechanisms in response to external forces can provide efficient energy deflection media protecting sensitive energetic materials from accidental initiation is explored. Entrapment of explosives, with an emphasis on peroxide materials, in gels is demonstrated as a general method to substantially lower explosives sensitivity diverting stimuli from the sensitive materials to the gel. Friction is a more difficult stimulus to dissipate in comparison to impact. The desensitization method developed, is with minimal material manipulations. Practical considerations as mode of application, solubility, and controlling speed of gelation determine that the method of choice is a sol‐gel process using a mixture of three alkylalkoxysilanes, R_nSi(OR′)_4–n, producing a hybrid organic‐inorganic gel enabling complete triacetone triperoxide (TATP) desensitization at 20–25 % v/v concentrations.     

含能材料受限三轴压缩实验的数值模拟

从含能材料三轴压缩实验的基本公式出发,推导了考虑摩擦力之后各力学参数的计算公式。提出一种将实测数据与受限三轴压缩的试件——钢筒库伦接触摩擦有限元模型相结合的方法,利用动力有限元程序分析,考虑了摩擦力的影响。通过对ＴＮＴ炸药的受限三轴动态压缩实验的计算机模拟,估算了摩擦系数ｆ,并给出了材料的屈服强度值的修正公式。     

静态与动态高压对含能材料热分解的影响

利用常压和高压差示扫描量热仪（DSC、PDSC）在动态和静态状下研究了CL-20、HMX、RDX、NC、NG、NG NC等几种含能材料的热分解,探讨了常压与高压条件下,静态与动态对这些含能材料热分解的影响。结果显示含能材料热分解受压力和动态气氛的影响有三种情况：1、热分解同时受到压力和动态气氛的影响;2、热分解既不受压力也不受动态气氛的影响;3、热分解只受压力的影响而不受动态气氛的影响。     

呋咱系列含能材料的研究进展

本文系统地概述了呋咱系列含能材料的研究进展。     

Prediction of the Brisance of Energetic Materials

The brisance parameter can be used to show the shattering power of an energetic compound and the speed to reach its peak pressure. It determines the effectiveness with which an explosive can fragment a shell. Nowadays, the sand test or sand crushing test is the preferred method for brisance measurements but there is no reliable method for the prediction of the brisance parameter. In this paper, a method for the prediction of the brisance through sand test for pure and mixed energetic materials as well as aluminized explosives is reported. It is based on the molecular structure of the desired compound and once the conclusion is established any experimental data is redundant. The calculated brisance relative to 2,4,6‐trinitrotoluene (=100) shows good agreement with the measured values.     

国外含能材料发展动态

国外含能材料发展动态李上文赵凤起（西安近代化学研究所西安７１００６５）ＮｅｗＤｅｖｅｌｏｐｍｅｎｔｓｏｆＥｎｅｒｇｅｔｉｃＭａｔｅｒｉａｌｓＡｂｒｏａｄＬｉＳｈａｎｇｗｅｎＺｈａｏＦｅｎｇｑｉ（Ｘｉ＇ａｎＭｏｄｅｒｎＣｈｅｍｉｓｔｒｙＲｅｓｅａｒｃｈ...     

Cutting and Machining Energetic Materials with a Femtosecond Laser

A femtosecond (fs) laser has been used as a tool for solving many problems involving access, machining, disassembly, inspection and avoidance of undesirable hazardous waste streams in systems containing energetic materials. Because of the unique properties of the interaction of ultrashort laser pulses with matter, the femtosecond laser can be used to safely cut these energetic materials in a precise manner without creating an unacceptable waste stream. Many types of secondary high explosives (HE) and propellants have been cut with the laser for a variety of applications ranging from disassembly of aging conventional weapons (demilitarization), inspection of energetic components of aging systems to creating unique shapes of HE for purposes of initiation and detonation physics studies. Hundreds of samples of energetic materials have been cut with the fs laser without ignition and, in most cases, without changing the surface morphology of the cut surfaces. The laser has also been useful in cutting nonenergetic components in close proximity to energetic materials.     

Study on the Compatibility of Tetraethylammonium Decahydrodecaborate (BHN) with some Energetic Components and Inert Materials

The compatibility of tetraethylammonium decahydrodecaborate (BHN) with some energetic components and inert materials of solid propellants was studied by DSC method, where glycidyl azide polymer (GAP), cyclotrimethylenetrinitramine (RDX), cyclotetramethylenetetranitroamine (HMX), lead 3‐nitro‐1,2,4‐triazol‐5‐onate (NTO‐Pb), hexanitrohexaazaisowurtzitane (CL‐20), 3,4‐dinitrofurzanfuroxan (DNTF), N‐guanylurea‐dinitramide (GUDN), aluminum powder (Al, particle size=12.18 μm) and magnesium powder (Mg, particle size: 44–74 μm) were used as energetic components and polyoxytetramethylene‐co‐oxyethylene (PET), polyethylene glycol (PEG), addition product of hexamethylene diisocyanate and water (N‐100), hydroxyl terminated polybutadiene (HTPB), cupric adipate (AD‐Cu), cupric 2,4‐dihydroxy‐benzoate (β‐Cu), lead phthalate (ϕ‐Pb), carbon black (C. B.), aluminum oxide (Al₂O₃), 1,3‐dimethyl‐1,3‐diphenyl urea (C₂), di‐2‐ethylhexyl sebacate (DOS) and potassium perchlorate (KP), were used as inert materials. It was concluded that the binary systems of BHN with NTO‐Pb, CL‐20, aluminum powder, magnesium powder, PET, PEG, N‐100, AD‐Cu, β‐Cu, ϕ‐Pb, C. B., Al₂O₃, C₂, DOS, and KP are compatible, and systems of BHN with GAP and HMX are slightly sensitive, and with RDX, DNTF, and GUDN are incompatible. The impact and friction sensitivity data of BHN and BHN in combination with the energetic materials under present study were obtained, and there was no consequential affiliation between sensitivity and compatibility.     

Salts of Tetrazolone – Synthesis and Properties of Insensitive Energetic Materials

Tetrazolone (5‐oxotetrazole, 1 ) is formed by diazotization of 5‐aminotetrazole in the presence of CuSO₄. Nitrogen‐rich salts such as guanidinium ( 2 ), 1‐aminoguanidinium ( 3 ), 1,3‐diamino‐guanidinium ( 4 ), 1,3,5‐triamino‐guanidinium ( 5 ), ammonium ( 6 ), hydrazinium ( 7 ) and the hydroxylammonium ( 8 ) salts of tetrazolone were prepared by facile deprotonation or metathesis reactions. All compounds were characterized by single‐crystal X‐ray diffraction, vibrational spectroscopy (IR and Raman), multinuclear NMR spectroscopy, elemental analysis and DSC measurements. The heats of formation of 2–8 were calculated using the atomization method based on CBS‐4M enthalpies. With these values and the experimental (X‐ray) densities several detonation parameters such as the detonation pressure, velocity, energy and temperature were computed using the EXPLO5 code (V.5.04). In addition, the sensitivities towards impact, friction and electrical discharge were tested using the BAM drop hammer and friction tester as well as a small scale electrical discharge device.     

Modeling the Microstructure of Energetic Materials with Realistic Constituent Morphology

In this article, we present a strategy for packing realistic crystals, critical for mesoscale simulations, and predictions. The current packing code uses a dynamic algorithm, with crystal shapes represented by level sets, to create appropriate packs of the microstructure for an energetic material. Crystal shapes include the nitramines HMX, RDX, PETN, and CL20. Two series of packs are considered: a bidisperse pack with size ratio 1 : 0.3 and a polydisperse pack. We also construct equivalent packs of spheres for comparison purposes. Higher‐order statistics are computed and compared. We show that the second‐order statistics are essentially independent of particle shape when the packing fraction is held constant. The second‐order statistics do, however, depend on the polydispersity.     

Improved Approach to Predict the Power of Energetic Materials

Nowadays, the ballistic mortar is the preferred test for the explosive power measurements but there is no reliable method for its prediction. For an energetic compound, the formation of low molecular mass gaseous products and a high positive heat of formation per unit weight of the energetic compound are important parameters to have a high value of power. A novel method was developed to predict the power by the ballistic mortar test for pure and mixture of energetic materials. It can be used for some important classes of energetic compounds including nitroaromatics, acyclic and cyclic nitramines, nitrate esters, and nitroaliphatics. The presented method is based on the molecular structure of the desired compound and there is no need to use experimental data such as the condensed phase heat of formation. For 84 pure and 24 mixtures of energetic compounds, the calculated power relative to 2,4,6‐trinitrotoluene (= 100) show good agreement with respect to the measured values.     

A New General Correlation for Predicting Impact Sensitivity of Energetic Compounds

This paper describes an improved simple model for prediction of impact sensitivity of different classes of energetic compounds containing nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles, nitropyrimidines, polynitroarenes, benzofuroxans, polynitroarenes with α‐CH, nitramines, nitroaliphatics, nitroaliphatic containing other functional groups, and nitrate energetic compounds. The model is based on some molecular structural parameters. It is applied for 90 explosives, which have different molecular structures. The predicted results are compared with outputs of complex neural network approach as one of the best available methods. Root mean squares (rms) of deviations of different energetic compounds are 24 and 49 cm, corresponding to 5.88 and 12.01 J with 2.5 kg dropping mass, for new and neural network methods, respectively. The novel model also predicts good results for eight new synthesized and miscellaneous explosives with respect to experimental data.     

Energetic Materials: Crystallization,Characterization and Insensitive Plastic Bonded Explosives

The product quality of energetic materials is predominantly determined by the crystallization process applied to produce these materials. It has been demonstrated in the past that the higher the product quality of the solid energetic ingredients, the less sensitive a plastic bonded explosive containing these energetic materials becomes. The application of submicron or nanometric energetic materials is generally considered to further decrease the sensitiveness of explosives. In order to assess the product quality of energetic materials, a range of analytical techniques is available. Recent attempts within the Reduced‐sensitivity RDX Round Robin (R4) have provided the EM community a better insight into these analytical techniques and in some cases a correlation between product quality and shock initiation of plastic bonded explosives containing (RS‐)RDX was identified, which would provide a possibility to discriminate between conventional and reduced sensitivity grades.     

Al基纳米复合含能材料的自组装

从Al基纳米复合含能材料的能量方面着手分析比较了各种制备方法的优劣,凸显出了自组装法制备Al基纳米复合含能材料的优势。自组装制备方法能够有效控制Al基纳米复合含能材料中粒子的排布,增加粒子各自的分散性和组分粒子之间的接触,缩短了粒子之间的传质和传热距离,提高了Al基纳米复合含能材料的燃烧速率、反应活性和能量利用率。将目前报道的Al基纳米复合含能材料的自组装制备方法分为两类(直接组装法和间接组装法)进行论述总结,最后提出了自组装法在含能材料制备中的发展方向。附参考文献41篇。     

Recent Developments for Prediction of Power of Aromatic and Non‐Aromatic Energetic Materials along with a Novel Computer Code for Prediction of Their Power

The explosive power or strength of an energetic material shows its capacity for doing useful work. This work reviews recent developments for prediction of power of energetic compounds. A new user‐friendly computer code is also introduced to predict the relative power of a desired energetic compound as compared to 2,4,6‐trinitrotoluene (TNT). It is based on the best available methods, which can be used for different types of energetic compounds including nitroaromatics, nitroaliphatics, nitramines, and nitrate esters. The computed relative powers are consistent with the measured data for some new materials containing complex molecular structures.     

Prediction of Sensitivity of Energetic Compounds with a New Computer Code

Impact, electrostatic, and shock sensitivities of energetic compounds are three important parameters for the assessment of hazardous energetic materials. A novel easy to handle and user‐friendly computer code, written in Visual Basic, is introduced to predict these parameters, by solely using the molecular structure of an energetic molecule. It is able to predict impact sensitivity for different types of energetic compounds including nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles, nitropyrimidines, polynitro arenes, benzofuroxans, polynitro arenes with α‐CH, nitramines, nitroaliphatics, nitroaliphatic containing other functional groups, and nitrate energetic compounds. It can also provide reliable results for electrostatic and shock sensitivities of some classes of high explosives including nitroaromatic and nitramine compounds. The prediction of this code give good values for some newly reported energetic compounds, where experimental data are available.     

A Simple Way to Predict Heats of Detonation of Energetic Compounds only from Their Molecular Structures

A simple method to predict heats of detonation of important classes of energetic compounds including nitroaromatics, nitramines, nitroaliphatics, and nitrate esters is introduced. It is based on the ratios of oxygen to carbon and hydrogen to oxygen as well as the contribution of some specific functional groups or structural parameters. Predicted heats of detonation of pure explosives and explosive formulations with water as product in the liquid state for 77 energetic compounds provide more reliable results than those obtained using two empirical and quantum mechanical methods. This new method improves an earlier effort of previous models through its application for different categories of energetic compounds, which contain the energetic bonds Ar NO₂, N NO₂, C NO₂, and C O NO₂. In addition, the novel model provided good results for some miscellaneous explosives and several new synthesized explosives, where experimental data were available.     

Impact and Friction Sensitivity of Energetic Materials:Methodical Evaluation of Technological Safety Features

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.