ABSTRACT We have performed quantum-based molecular dynamics (MD) simulations to investigate the initial chemical processes of the TATB under different temperatures. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed.The results show that a large number of clusters (such as C12H12O8N10, C12H12O12N12, C12H12O6N9, C18H18O16N17) formed in the initial reaction process

ABSTRACT In this work, a novel Al2O3-free core-shell structured nAl@aluminum-perfluorooctanoate (F-x) nanocomposite has been prepared via a self-assembly approach. The Al2O3 shell was first removed by hydrofluoric acid (HF) solution, and then the perfluorooctanoic acid (PFOA) was coated on the surface of nAl by a self-assemble reaction. The thickness of the obtained F-x layer can be easily tuned by

ABSTRACT In this paper, 1-methyl-2,4,5-triiodoimidazole (1) was nitrified with various nitrating reagents. 1-Methyl-2,4,5-triiodoimidazole mononitrate (2), 2,4-diiodo-1-methyl-5-nitroimidzole (3), 2,5-diiodo-1-methyl-4-nitroimidzole (4), 4,5-dinitro-2-iodo-1-methylimidzole (5), 2,4-dinitro-5-iodo-1-methylimidzole (6) and 2,4-dinitro-1-methylimidzole (8) were obtained as intermediate derivatives; and

ABSTRACT Exploding bridgewire (EBW) detonators work by electrically exploding a thin conducting wire as a result of a high voltage discharge from a capacitor. The process creates a strong UV (ultraviolet) emission and a shock compaction wave into the surrounding porous explosive bed. To investigate the significance of each, the research presented here utilized air gaps, an optical window, or inert

On 15 high nitrogen and three polynitrated polyazaarenes (including six azido-derivatives), the paper demonstrates the relations between their impact sensitivities (Edr ) on the one hand and the volume heats (ρQmax ) or a representative of detonation pressure (ρD2 ) of their explosion or their enthalpies of formation (ΔHform ) on the other. The semi-logarithmic subrelations between the Edr and ρQmax

We have completed a series of vented and sealed cookoff experiments of the ε-polymorph of CL-20 in our Sandia Instrumented Thermal Ignition (SITI) apparatus using both powder and pressed pellets at nominal densities of 313 ± 8 kg/m3 and 1030 ± 4 kg/m3, respectively. The boundary temperature of our aluminum confinement cylinder was ramped in 10 minutes from room temperature to a prescribed set-point

Underwater explosion test has been proven to be a simple way to measure the equation of state of detonation products. In order to further develop this technology, a new method for determining Jones-Wilkins-Lee equation of state (JWL-EOS) by underwater explosion test with spherical charge was designed based on the self-developed pressure-conducted velocity probe in this paper. First of all, we established

Recently Vandersall et al. [1] reported a series of shock initiation experiments using embedded manganin pressure gauges in the plastic bonded explosive (PBX) LX-14 (95.5% HMX and 4.5% Estane by weight) plus Ignition and Growth (I & G) simulations of all the gauge records. Jones et al. [2] reported a study of LX-14 using embedded particle velocity gauges in a similar shock strength range. It is prudent

A novel cyclic-thermal method is proposed for accelerated thermo-chemical ageing of composite solid propellants including the diurnal and seasonal variations in temperature, the main environmental factor. For accelerated ageing corresponding to natural ages of up to 5 years, natural variations during 24 hours were reduced to 90 to 214 minutes by increasing the mean temperature using Arrhenius relationship

In this paper, the optimal temperature in an HMX spray-drying process was determined by molecular dynamics simulations and verified using experiments. Using the optimal spray-drying temperature determined by simulations, spherical β-HMX with a uniform particle size distribution was obtained by spray-drying. Performance characterization and thermal analysis of β-HMX were investigated by scanning electron

While exploring the synthesis pathway of HMTD, an unexpected new route for preparing HMTD was found through the reaction of formaldehyde, hydrogen peroxide, and ammonium hydroxide. The recovered HMTD was characterized by Raman spectroscopy and powder x-ray diffraction and found to be a different crystal structure. This HMTD is believed to be the result of a different conformation of the HMTD, only

Here we develop a mathematical model for evaporation of an explosive thin film. Such an objective stems from the problem of trace explosive detection by techniques based on explosive vapor recording. In particular, we have previously devised an instrumentation system for standoff trace explosive detection by the active spectral imaging method. To determine the applicability limits of remote trace explosive

One challenge in the application of traditional metastable intermolecular composite (MIC) material is that MIC particles are not compatible with micro-electro-mechanical system (MEMS) based pyrotechnic device. The preparation of MIC film material can solve such problem. In this paper, we applied electrophoretic deposition method to prepare aluminum/polyvinylidene fluoride (Al/PVDF) and aluminum/po

The consequences of choosing one distribution form in the analysis of drop-weight impact results were explored, and the importance of reporting both the L50 and the distribution spread-parameter for estimation of reaction probabilities at low-stimuli was demonstrated. The drop-weight impact results of pressed PBX9501 were reported alongside drop-weight results tendered by AFRL. Three distribution forms

In this paper, the nitration of 2,4,5-trinitroimidazole (1) with nitric acid was reinvestigated. 2,5(4)-Diiodo-4(5)-nitroimidazole (2), 2,5(4)-dinitro-4(5)-iodoimidazole (3), 4,5-dinitro-2-iodoimidazole (11) and imidazolium 2,4,5-trinitroimidazole (12) were gave as nitration products, and ethanedioic acid (10) as oxidation by-product. All products were characterized using FT-IR, NMR and elemental analysis

Mainly the purpose of this research is to increase the oxidation efficiency of boron powder as well as to accelerate the decomposition of AP by carrying out the trials of several metals with boron-based and AP-based propellants. B/Mg, B/Al, B/Ni, B/Fe and B/Mo composites are prepared by employing ball milling method. The thermal analysis of doped boron powder with Fe and Mo shows the better activity

The aluminum nanopowder (nAl) was coated using hydroxyl-terminated polybutadiene (HTPB) as a coating agent. The morphology and structure of the coated samples (nAl/HTPB) were characterized by Transmission Electron Microscope (TEM), Fourier transform infrared spectroscopy (FT-IR), and X-ray diffraction (XRD). The active aluminum content of nAl and nAl/HTPB was measured by potassium permanganate titration

With the increased interest in cocrystals, there is a need to quantify the decomposition characteristics of these new materials. The thermal decomposition of four energetic cocrystals composed of 4-amino-3,5-dinitropyrazole (ADNP)/diaminofurazan (DAF), 2,4,6-trinitrotoluene (TNT)/2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL20), 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)/CL20

The isothermal decomposition kinetics of pentaerythritol tetranitrate (PETN) was studied through a self-established isothermal thermal decomposition gas metering device. The pressure versus time curves of the gas generated by PETN decomposition under different temperature conditions were divided into two parts, showing the remarkable effect of temperature and melting point on PETN decomposition. Model-fitting

Hydroxyapatite (HA) is one of the most common biocompatible material with high phosphorous content (18.5 wt %). HA is thermally stable compound that requires high temperature to decompose; upon decomposition active phosphorus can offer enhanced thermal signature for effective countermeasure of infrared missiles. High reaction temperature can be accomplished via high energy density materials such as

In this paper, the initiation capacity of shaped charges against booster devices is carefully examined using both experimental and simulation method. A booster device, which consists of insensitive charges, is investigated by shaped charge jet impact test. The results show that the response degree of the booster device with insensitive charge is detonation reaction. The numerical simulation results

In this contribution, pristine nitrocellulose (NC) and novel NC/glycidyl azide polymer (GAP) composite microspheres with uniformly dispersed burning rate catalysts, a high degree of roundness and excellent fluidity, were successfully prepared using a solution blending procedure. The burning rate catalysts had an apparent catalytic effect on the thermal decomposition of the novel composite microspheres

Four new coordination compounds were synthesized by the reactions of transition-metal inorganic salts with 1-ethylimidazole (EIMI) and sodium dicyanamide (NaDCA), and were characterized by elemental analysis, infrared spectroscopy (FT-IR), and X-ray crystal diffraction (XRD). Their molecular structures were confirmed as [Mn(EIMI)4](DCA)2 (1), [Co(EIMI)4](DCA)2 (2), [Ni(EIMI)4](DCA)2 (3), [Cu(EIMI)4](DCA)2

Cenospheres are the main component of industrial waste of fly ash and taking full advantage of them has good economic and environmental values. In this paper, cenospheres sensitized emulsion explosive was prepared by adding cenospheres into the emulsion matrix as the sensitizers. The effects of content and particle size of cenospheres on detonation performance of emulsion explosives were studied, and

The formation and initiation behaviors of double-layer shaped charge (DLSC) are investigated. The DLSC comprised an inner metal liner, coupled with an outer metal or polymer liner. The nonlinear dynamic analysis software Autodyn-2D is used to simulate and compare different kinds of liner material combination shaped charges. The effects of the impedance of materials on DLSC deformation are discussed

Reduced graphene oxide (RGO) possesses unique thermal and optical properties. It could act as black body emitter with high-infrared emissivity. RGO could meet wide applications in advanced infrared decoy flares. In this study, RGO nano-sheets were synthesized through the reduction of GO after applying Hummers’ method using graphite powder as a precursor. The synthesized RGO owns 10 µm dimensions and

Energetic materials are often disposed by open-burning or open-detonation as it is a cost-effective and efficient means of destroying explosive material, and often minimizes the need to transport hazardous explosives to treatment facilities. This practice is often scrutinized for the negative environmental impact of the odorous and unsightly toxic gaseous emissions as well as the resulting deposition

The vibrational, thermodynamic and mechanical properties of α-, β-, δ-, and γ-HMX are investigated based on the first principle method. The calculated lattice parameters of four types HMX based on the GGA-PBE+G functional are in good agreement with the experimental values and our pervious calculated values. The phonon density of states and vibrational properties of HMX are obtained. In the lower or

A new energetic green burning rate catalyst, magnesium 5,5′‒bistetrazole‒1,1′‒diolate hexahydrate complex ([Mg(BTO)(H2O)6], 1) was synthesized based on 5,5′‒bistetrazole‒1,1′‒diolate dehydrate (BTO, 2) by the metathesis reaction, and it was characterized by FTIR spectroscopy, elemental analysis (EA), Scanning Electron Microscopy (SEM) and single X-ray diffraction. The thermal decomposition processes

The well-developed theory of Lorentz plasma that is dominated by electron–ion interactions is used to calculate the PETN arc characteristics. The spark-gap discharge current is a ramp with 10 to 25 ns rise time to peak and remaining constant subsequently. The approximate formulas for the arc channel conductivity, arc temperature, arc radius, and shock pressure from the arc are obtained from a system

We proposed with excitement a novel molecular co-assembly (MCSA) that can effectively overcome the agglomeration of energetic materials. Through the coordinated self-assembly of polymethyl methacrylate-polyvinyl acetate (PMMA-PVA) with honeycomb-like structure and nanoparticles, a controlled and orderly distribution of nitroamine explosive (cyclotetramethylenetetranitramine, HMX; cyclotrimethylenetrinitramine

The liquid components, such as plasticizer, in the charge of solid propellant can potentially migrate into the liner contacting with propellant gradually, causing negative effects on the energetic performance, mechanical properties, and combustion properties of the propellant, as well as its interfacial adhesion properties with the liner. The study and prediction of the migration of the liquid components

3-Nitramino-6-hydroxy-1,2,4,5-tetrazine (NHTZ) and its alkaline earth metal salts (Mg2+(1), Ca2+(2), Sr2+(3), Ba2+(4)) were prepared via 3,6-dinitramino-1,2,4,5-tetrazine for the first time. The electrostatic potentials and HOMO-LUMO orbitals of them were computed to better understand the electronic structure of NHTZ. Structures of the four alkaline earth metal salts were confirmed by elemental analysis

To investigate the detonation characteristics and the detonation wave profiles of the melt-cast aluminized explosive RBOL-2 (DNAN/HMX/aluminum/other additives), the particle velocity of the interface between the explosive and the Lithium-Fluoride (LiF) window and the free-surface velocity of the copper plate accelerated are measured by using the DISAR interferometer system. It is found that, for RBOL-2

Thermal conductivity has been determined for a variety of energetic materials (EMs) using finite element analysis (FEA) and cookoff data from the Sandia Instrumented Thermal Ignition (SITI) experiment. Materials studied include melt-cast, pressed, and low-density explosives. The low-density explosives were either prills or powders with some experiments run at pour density (not pressed). We have compared

The explosion (detonation) temperature of organic compounds containing energetic groups can be related to the study of the kinetics of chemical reactions in the reaction zone as well as the thermodynamic state of the detonation products. It can be predicted by a simple approach for ideal and less ideal energetic compounds as well as non-ideal composite explosives containing aluminum (Al) or ammonium

In order to study the optimal ratio of the degree of bis-propargyl-succinate (BPS) cures Glycidyl azide polymer (GAP), the thermal kinetics of BPS cured system was investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TG), the thermal stability and mechanical properties were studied. GAP was cured by the reaction of the azide group with BPS through a 1,3-dipolar cycloaddition

Improvised explosive may be as primitive as a fuel and oxidizer mixture; yet not all fuel-oxidizer mixtures are explosive. Predicting explosive potential from laboratory-scale tests is desirable to screen a large matrix of potential threats in varying concentrations. Herein the properties of various fuel/oxidizer mixtures were measured at small scale (2 g) with bomb calorimetry and on large scale (5

In this study, ammonium perchlorate (AP)-based molecular perovskite structural high-energetic materials (H2dabco)[NH4(ClO4)3] (DAP) were fabricated and their catalytic performance upon the addition of MoS2 nanosheets was investigated. The DAP samples were succesfully prepared via a self-assembly reaction and their morphology and structure were characterized via scanning electron microscopy, X-ray diffractometry

Zirconium-boron composite powders with the stoichiometric bulk composition corresponding to ZrB2 were prepared using high-energy milling in a shaker mill starting with elemental boron and zirconium. Milling times up to 3 hours were explored. The characterization of the prepared powders included measuring their particle size distribution, crystal structure, and assessment of particle structure and morphology

ABSTRACT Rocket propellants that contain ammonium perchlorate (AP) often have a violent response during slow heating. Two laboratory tests have been developed to determine the reaction violence of these materials. The first test was the Combustion Rate Analysis of a Slowly Heated Propellant (CRASH-P) test, which used dynamic pressure sensors to quantify the violence of the reaction. The second test

Three energetic copper (II) complexes, [Cu(1-MAT)2(HDNBA)2](DNBA)2 (1), [Cu(1-MAT)2](PA)2 (2) and [Cu(1-MAT)4(H2O)2](ClO4)2 (3) [1-MAT: 1-methyl-5-aminotetrazole; HDNBA: 3,5-dinitrobenzoic acid; PA: picric acid] were synthesized and characterized. The X-ray single-crystal diffraction results illustrate that the structure of the coordination compounds 1, 2 and 3 belong to the P21/c, P21212 and C2/m

An impact test method was designed to study the mechanical behaviors of explosive charges in deceleration environments. With this method, the deformation and density variation of explosive charges in various deceleration environments can be obtained by changing the decelerations. The deceleration can be precisely changed without changing the strength of target and the speed of projectile. The high-g

ABSTRACT Bis(2,2-dinitropropyl) acetal (BDNPA) and bis(2,2-dinitropropyl) formal (BDNPF) are two commonly used energetic plasticizers in explosive and propellant composites. However, some of their physical properties are rather scattered and inconsistent in the open literature. For example, there are at least two widely different values, 14.5ºC and −15ºC, for the melting point of eutectic BDNPA/F with

In recent years, the exploration of a practical strategy for novel energetic molecules with high energy and low sensitivity is very desirable but highly challenging. Novel ionic energetic molecules have attracted much attention in this area due to their prominent advantages including low sensitivities, high thermal stability, and excellent energy performances. Herein, five different ionic energetic

Isothermal thermal decomposition method was used to study the thermal behavior of the HMX-based PBX explosive JOL-1. The gas pressure versus time curves of the isothermal decomposition of JOL-1 were obtained within the temperature range of 90°C to 130°C. Kinetic parameters such as activation energy and frequency factor for the thermal decomposition of JOL-1 were obtained using the Arrhenius equation

ABSTRACT To improve the mechanical property of 2, 4-dinitroanisole (DNAN)/1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) melt-cast explosives, the effects of additives, N-methyl-4-nitroaniline(MNA), polyethylene glycol sorbitanmonostearate-60 (Tween60), and cellulose acetate butyrate (CAB) on the binding energy and mechanical properties were simulated by molecular dynamics. Moreover, to verify the accuracy

ABSTRACT Nitrogen-rich and poly-nitrogen energetic materials have the advantages of high density, high formation enthalpy, and environmentally friendly as new energetic materials. Among them, cyclo-N5 − is one of the most representative ionic nitrogen compounds. However, at present, the studies are mainly in the field of synthesis. This study mainly explores the compatibility of NaN5 with traditional

To determine degradation products formed by exposure of TATB to ionizing radiation, a computational and experimental study is presented. Thermochemical and spectral data have been calculated using DFT at the MH06-HF/aug-cc-pVTZ level which suggest the formation of the cation radical derivative of TATB. Irradiated TATB samples showed the widely reported yellow-to-green discoloration, with measured CIE

ABSTRACT Addition of 10 wt-% Al/CuO and 5 wt-% Al/PTFE significantly sensitizes the Al/KIO4 thermite. The energetic performance of this micron-sized blend approached the performance of nanothermite systems without the processing problems associated with the latter. The ignition temperature was significantly lower than that reported for the nano-Al/KIO4 (about 470°C) and flame front speeds approached

ABSTRACT For developing a new explosive formulation, a compatibility of polymeric binder with energetic compound is of most important in the pre-formulation stage. In this article, differential scanning calorimetry (DSC) method, according to STANAG 4147, was used to examine compatibility of diglycidyl ether of bisphenol A (DGEBA) with selected explosive compounds especially 1,3,5-trinitro-1,3,5-triazinane

ABSTRACT The reaction model of aluminum particles is the key to successfully simulate the two-phase detonation of aluminum suspensions. In this study, by considering the decomposition of the aluminum oxide (Al2O3) product at high temperature, the reaction model for aluminum particles is improved and is incorporated into the numerical code. Then numerical simulations for two-phase detonations of Al/air

ABSTRACT Energetic hollow microcapsules (EHMs) were designed as dual-functional sensitizers for emulsion explosive with pentane/TiH2 and poly(methyl methacrylate) (PMMA) as core and shell, respectively. SEM and particle size analyses showed that the PMMA/TiH2 energetic microcapsules had spherical morphology, narrow size distribution and internal hollow structure. The results of detonation performance

ABSTRACT Exploding bridgewire (EBW) detonators work by bursting a thin conducting wire as a result of a high voltage discharge. This process is known to produce a strong UV emission. The roles of optical absorption, photochemistry, shock sensitivity, and impact sensitivity are assessed with respect to the relative roles each plays in the operation of an EBW detonator. The optical absorptivity and penetration

The advanced spiral growth model that considers the thermodynamics and kinetics aspects of the adsorption process is applied to predict the growth habits of the nitroguanidine crystal in water and γ-butyrolactone. The molecular dynamics simulations were performed to search for the equilibrium state of the interface model. The predicted results show that the crystal shapes of nitroguanidine in water

ABSTRACT A highly energetic material 3,3ʹ-bis(trinitroethylamino)-4,4ʹ-bisfurazan (BTNEABF) was synthesized by cyanation, addition, ring formation, and condensation reaction. According to the results of NMR, single-crystal X-ray diffractometry and DSC, this compound has a high density (1.833 g·cm−3) and positive heat of formation (681.3 kJ·mol−1). The calculated detonation velocity (D = 9045 m·s−1)

ABSTRACT Nano (H2dabco)[K(ClO4)3] (DAP-2) were successfully prepared via the milling method. The morphology and structure of the as-obtained sample were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR). The results showed the nano DAP-2 with nearly spherical morphologies have a narrow particle size distribution ranged from

Many years of research on more effective and safer explosives led to the development of emulsion explosives. They are the second most commonly used group of explosives in the world, primarily due to the fact that they are a good alternative to ANFO explosives or dynamites. Their key advantage in underground applications is the lower content of toxic fumes in the detonation products. Emulsions are also

In this work, we reported nano-sensitized dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) with micro/nano hierarchical structures were prepared by combined with ball milling and drying technology. The samples were characterized and the results demonstrated that nano sensitized TKX-50 possessed hierarchical network-like framework microstructures composed of TKX-50 nanoparticle units with

Thermites are energetic composites made of metal and oxidizer particles that react according to an exothermic reaction and release large amounts of energy. Many possible metal and oxidizer couples exist in the literature. Here, the performance of the aluminum reducing metal and tin (IV) oxide (SnO2) combination was reported as a function of the fuel/oxidizer mass ratio. The Al/SnO2 energetic composite