WorldWideScience

Sample records for machining energetic materials

  1. Fluidjet machining of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Sang-Wook; Reitter, T.; Carlson, G. [Lawrence Livermore National Lab., CA (United States); Do, B. [Mason and Hanger-Silas Mason Co., Inc., Amarillo, TX (United States)

    1994-01-01

    Fluidjet machining phenomena have been analyzed as a potential method for dismantling nuclear weapons in a way that is environmentally clean, efficient and safe. Preliminary experiments and analyses have revealed that at small standoff distances there is no mass removal from the workpiece, and that far from the nozzle there exists an optimum standoff distance at which the mass removal rate is a maximum. Such results suggest a mass-removal process due to the droplets and ligaments impinging on the material that cause sudden pressure increases in the impact regions. This proposed material-removal mechanism has been addressed theoretically by considering a series of multiple droplet impacts on a material. The calculated results display a series of pressure peaks at the target surface as each of these droplets strikes the material, supporting the plausibility of the proposed mass-removal scenario at the optimum standoff distance. Further experiments and analyses are planned to verify the proposed mechanism of mass removal by means of fluidjet machining processes.

  2. Femtosecond Laser Interaction with Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Roos, E; Benterou, J; Lee, R; Roeske, F; Stuart, B

    2002-03-25

    Femtosecond laser ablation shows promise in machining energetic materials into desired shapes with minimal thermal and mechanical effects to the remaining material. We will discuss the physical effects associated with machining energetic materials and assemblies containing energetic materials, based on experimental results. Interaction of ultra-short laser pulses with matter will produce high temperature plasma at high-pressure which results in the ablation of material. In the case of energetic material, which includes high explosives, propellants and pyrotechnics, this ablation process must be accomplished without coupling energy into the energetic material. Experiments were conducted in order to characterize and better understand the phenomena of femtosecond laser pulse ablation on a variety of explosives and propellants. Experimental data will be presented for laser fluence thresholds, machining rates, cutting depths and surface quality of the cuts.

  3. Machinability of advanced materials

    CERN Document Server

    Davim, J Paulo

    2014-01-01

    Machinability of Advanced Materials addresses the level of difficulty involved in machining a material, or multiple materials, with the appropriate tooling and cutting parameters.  A variety of factors determine a material's machinability, including tool life rate, cutting forces and power consumption, surface integrity, limiting rate of metal removal, and chip shape. These topics, among others, and multiple examples comprise this research resource for engineering students, academics, and practitioners.

  4. Shock Sensitivity of energetic materials

    Science.gov (United States)

    Kim, K.

    1980-01-01

    Viscoplastic deformation is examined as the principal source of hot energy. Some shock sensitivity data on a proposed model is explained. A hollow sphere model is used to approximate complex porous matrix of energetic materials. Two pieces of shock sensitivity data are qualitatively compared with results of the proposed model. The first is the p2 tau law. The second is the desensitization of energetic materials by a ramp wave applied stress. An approach to improve the model based on experimental observations is outlined.

  5. Energetic materials at extreme conditions

    Energy Technology Data Exchange (ETDEWEB)

    Millar, David I.A. [Edinburgh Univ. (United Kingdom). EaStCHEM Research School of Chemistry

    2012-07-01

    This thesis describes the high-pressure structural behaviour of a series of energetic compounds that includes the widely used explosive RDX and gas generators such as sodium azide. Using a combination of X-ray and neutron diffraction techniques, crystal structures of these compounds have been obtained under conditions of elevated pressure and temperature. Such studies present significant technical challenges associated with both data collection and analysis, especially for compounds containing conformationally flexible molecules, but the structural information obtained is crucial for enhancing the understanding of the characteristics of energetic materials. Particularly significant is the observation that a high-pressure, high-temperature form of RDX may be recovered to ambient pressure. This has implications for the discovery of new forms of energetic materials that may exhibit enhanced properties, e.g. reduced sensitivity to accidental initiation. The rich high-pressure behaviour of the simple inorganic azides is also noteworthy. All of the six compounds studied in this work were found to undergo at least one phase transition and a total of ten polymorphs have been identified at variable pressure and/or temperature. For example, at high pressure sodium azide adopts the same structure observed for the larger alkali metal azides at atmospheric conditions. The first two chapters of this thesis provide a very accessible introduction to high-pressure research and energetic materials. The subsequent chapters detail the results of these high-pressure studies of energetic materials, demonstrating excellent clarity of expression and highly developed critical analysis. The final chapter points clearly to future opportunities for extending these studies to other energetic materials and for alternative methodologies for their structural modification. (orig.)

  6. Laser machining of advanced materials

    CERN Document Server

    Dahotre, Narendra B

    2011-01-01

    Advanced materialsIntroductionApplicationsStructural ceramicsBiomaterials CompositesIntermetallicsMachining of advanced materials IntroductionFabrication techniquesMechanical machiningChemical Machining (CM)Electrical machiningRadiation machining Hybrid machiningLaser machiningIntroductionAbsorption of laser energy and multiple reflectionsThermal effectsLaser machining of structural ceramicsIntrodu

  7. Nano Engineered Energetic Materials (NEEM)

    Science.gov (United States)

    2011-01-12

    reactivity of the nitro group. The more perpendicular orientation of the NO2 in p- NBA leaves both oxygen atoms available to complex vapor deposited Al...different solutes have been recorded in supercritical CO2 in the past, the information on the solubility of many energetic materials including RDX is...The pH level of the solution was monitored before and after to record the ionic activity of the solution. Different amounts of dispersant and

  8. Energetic materials research using scanning electron microscopy

    NARCIS (Netherlands)

    Elshout, J.J.M.H. van den; Duvalois, W.; Benedetto, G.L. Di; Bouma, R.H.B.; Heijden, A.E.D.M. van der

    2016-01-01

    A key-technique for the research of energetic materials is scanning electron microscopy. In this paper several examples are given of characterization studies on energetic materials, including a solid composite propellant formulation. Results of the characterization of energetic materials using scann

  9. Energetic materials research using scanning electron microscopy

    NARCIS (Netherlands)

    Elshout, J.J.M.H. van den; Duvalois, W.; Benedetto, G.L. Di; Bouma, R.H.B.; Heijden, A.E.D.M. van der

    2016-01-01

    A key-technique for the research of energetic materials is scanning electron microscopy. In this paper several examples are given of characterization studies on energetic materials, including a solid composite propellant formulation. Results of the characterization of energetic materials using

  10. Nanoporous Silicon Based Energetic Materials

    Science.gov (United States)

    2008-12-01

    performed at SINTEF , Norway as shown in Figure 4 (line a). 3 Annealing PSi in air at different temperatures can be used to change the surface...3h (c)PSi annealed at 500C for 0.5 h (courtesy SINTEF ) e is C d magnification bright field TEM image of PSi-Fe2O3. The inset electron...Dr. Knut Thorshaug and Dr Diplos Spyros of SINTEF Norway for DRIFTS and XPS data. REFERENCES dvanced Energetics Materials, 2004; report byA ring

  11. Energetic materials and methods of tailoring electrostatic discharge sensitivity of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Daniels, Michael A.; Heaps, Ronald J.; Wallace, Ronald S.; Pantoya, Michelle L.; Collins, Eric S.

    2016-11-01

    An energetic material comprising an elemental fuel, an oxidizer or other element, and a carbon nanofiller or carbon fiber rods, where the carbon nanofiller or carbon fiber rods are substantially homogeneously dispersed in the energetic material. Methods of tailoring the electrostatic discharge sensitivity of an energetic material are also disclosed.

  12. Destruction of Energetic Materials in Supercritical Water

    Science.gov (United States)

    2002-06-25

    THERMOCHEMISTRY OF ENERGETIC MATERIALS IN SUPERCRITICAL WATER...fringe spacing is 13.5 µm and the acoustic signal period is 28.3 ns. 138 SECTION VI THERMOCHEMISTRY OF ENERGETIC MATERIALS IN...validation calculation studied the solvation free energies of alkali–chloride ion pairs in liquid water. Such information can teach us about the

  13. Safer energetic materials by a nanotechnological approach.

    Science.gov (United States)

    Siegert, Benny; Comet, Marc; Spitzer, Denis

    2011-09-01

    Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity.

  14. Amination of energetic anions: high-performing energetic materials.

    Science.gov (United States)

    Klapötke, Thomas M; Piercey, Davin G; Stierstorfer, Jörg

    2012-08-21

    The new energetic materials 2-amino-5-nitrotetrazole (ANT, 1), 1-amino-3,4-dinitro-1,2,4-triazole (ADNT, 2), and both 1,1'-diamino-5,5'-bistetrazole and 1,2'-diamino-5,5'-bistetrazole (11DABT, 3 and 12DABT, 4) have been prepared by the amination of the parent anion with O-tosylhydroxylamine. The 5-H-tetrazolate anion has also been aminated using hydroxylamine O-sulfonic acid to both 1-aminotetrazole and 2-aminotetrazole (1AT, 5 and 2AT, 6). The prepared materials have been characterized chemically (XRD (1-4, 6·AtNO(2), 8), multinuclear NMR, IR, Raman) and as explosives (mechanical and electrostatic sensitivity) and their explosive performances calculated using the EXPLO5 computer code. The prepared N-amino energetic materials, which can also be used as new ligands for high energy-capacity transition metal complexes, exhibit high explosive performances (in the range of hexogen and octogen) and a range of sensitivities from low to extremely high.

  15. Compatibility testing of energetic materials, which technique?

    NARCIS (Netherlands)

    Klerk, W.P.C. de; Schrader, M.A.; Steen, A.C. van der

    1999-01-01

    Compatibility is an important safety aspect related to the production and storage of energetic materials. To test different combinations of materials a simple test method with clear criteria is advisable. At the last ESTAC the use of microcalorimetry and the vacuum stability test for the

  16. Machining of hard-to-machine materials

    OpenAIRE

    2016-01-01

    Bakalářská práce se zabývá studiem obrábění těžkoobrobitelných materiálů. V první části jsou rozděleny těžkoobrobitelné materiály a následuje jejich analýza. V další části se práce zaměřuje na problematiku obrobitelnosti jednotlivých slitin. Závěrečná část práce je věnovaná experimentu, jeho statistickému zpracování a nakonec následnému vyhodnocení. This bachelor thesis studies the machining of hard-to-machine materials. The first part of the thesis considers hard-to-machine materials and ...

  17. Reapplication of energetic materials at fuels

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, L.; Sinquefield, S.; Huey, S.; Lipkin, J.; Shah, D.; Ross, J.; Sclippa, G. [Sandia National Labs., Livermore, CA (United States); Davis, K. [Reaction Engineering Internaional, Salt Lake City, UT (United States)

    1995-05-01

    This investigation addresses the combustion-related aspects of the reapplication of energetic materials as fuels in boilers as an economically viable and environmentally acceptable use of excess energetic materials. The economics of this approach indicate that the revenues from power generation and chemical recovery approximately equal the costs of boiler modification and changes in operation. The primary tradeoff is the cost of desensitizing the fuels against the cost of open burn/open detonation (OB/OD) or other disposal techniques. Two principal combustion-related obstacles to the use of energetic-material-derived fuels are NO{sub x} generation and the behavior of metals. NO{sub x} measurements obtained in this investigation indicate that the nitrated components (nitrocellulose, nitroglycerin, etc.) of energetic materials decompose with NO{sub x} as the primary product. This can lead to high uncontrolled NO{sub x} levels (as high as 2600 ppM on a 3% O{sub 2} basis for a 5% blend of energetic material in the fuel). NO{sub x} levels are sensitive to local stoichiometry and temperature. The observed trends resemble those common during the combustion of other nitrogen containing fuels. Implications for NO{sub x} control strategies are discussed. The behavior of inorganic components in energetic materials tested in this investigation could lead to boiler maintenance problems such as deposition, grate failure, and bed agglomeration. The root cause of the problem is the potentially extreme temperature generated during metal combustion. Implications for furnace selection and operation are discussed.

  18. Energetic materials standards – Chemical compatibility

    NARCIS (Netherlands)

    Tuukkanen, I.M.; Bouma, R.H.B.

    2014-01-01

    Subgroup A Energetic Materials Team, SG/A (EMT), develops and maintains standards that are relevant to all life-cycle phases of ammunition/weapon systems. STANAG 4147 is the standard regarding chemical compatibility of explosives with munition components, and is a document of prime importance.

  19. Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.

    Science.gov (United States)

    Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai

    2016-11-01

    In order to obtain high-performance energetic materials, in this work, carbonyl groups (C[double bond, length as m-dash]O) have been newly introduced as sole bridging groups in the field of energetic materials. To this end, two tailored green methods for the synthesis of carbonyl-bridged energetic compounds have been developed for the first time. One is a biomimetic synthesis, in which the conversion route of heme to biliverdin has been used to obtain metal-containing energetic compounds. The other one is an organocatalysis, in which guanidinium serves as an energetic catalyst to afford other energetic compounds. Experimental studies and theoretical calculations have shown that carbonyl-bridged energetic compounds exhibit excellent energetic properties, which is promising for the carbonyl group as a new important and effective linker in energetic materials.

  20. Sol-Gel Manufactured Energetic Materials

    Science.gov (United States)

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

    2005-05-17

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  1. Formation of energetic materials using supercritical fluids

    Energy Technology Data Exchange (ETDEWEB)

    Teipel, U.; Kroeber, H.; Krause, H.H. [Fraunhofer-Institut fuer Chemische Technologie (ICT), Pfinztal (Germany)

    2001-10-01

    A new field of applications of compressed gases is the formation of solid particles with well-defined properties, e.g. the particle size, the particle size distribution, the particle shape, the specific surface area and free of solvent inclusions. It is possible to process moderately solids like energetic materials which are difficult to comminute due to their sensitivity to mechanical or thermal stress. The characteristics of compressed gases allow to vary the morphology of solid particles in a wide range. A pilot plant is presented, which has been built to prepare fine particles by the rapid expansion of supercritical solutions (RESS process) and precipitation by a compressed fluid antisolvent (PCA process). In this contribution the micronization of different energetic materials by the RESS and PCA processes will be under investigation. (orig.)

  2. Energetic oxygen atom material degradation studies

    Science.gov (United States)

    Caledonia, George E.; Krech, Robert H.

    1987-01-01

    As part of a study designed to test potential Shuttle surface materials for the extents of degradation and mass loss expected to be suffered in space from the velocity impacts of ambient oxygen atoms, a novel technique was developed for generation of a high flux of energetic oxygen atoms. The generation technique involves laser-induced breakdown of molecular oxygen followed by a rapid expansion of energetic oxygen atoms. The high-velocity streams developed in an evacuated hypersonic nozzle have average O-atom velocities of about 5 to 13 km/s, with an estimated total production of 10 to the 18th atoms per pulse over pulse durations of several microseconds. Results on preliminary material degradation tests conducted with this test facility have been reported by Caledonia et al. (1987). Diagrams of the experimental setup are included.

  3. High Strain Rate Experiments of Energetic Material Binder

    OpenAIRE

    Rangel Mendoza, Roberto; Harr, Michael; Chen, Weinong

    2016-01-01

    Energetic materials, in particular HMX, is widely used in many applications as polymer bonded explosives (PBX) and rocket propellant. However, when damaged, HMX is known to be an unstable substance which renders it a hazardous material and in some cases unreliable. Finding critical mechanical conditions at high rates that render various forms of energetic materials as unreliable would be vital to understand the effects that vibrations and compression forces have on energetic materials. A bett...

  4. Nonlinear Electromagnetic Interactions in Energetic Materials

    CERN Document Server

    Wood, M A; Moore, D S

    2016-01-01

    We study the scattering of electromagnetic waves in anisotropic energetic materials. Nonlinear light-matter interactions in molecular crystals result in frequency-conversion and polarization changes. Applied electromagnetic fields of moderate intensity can induce these nonlinear effects without triggering chemical decomposition, offering a mechanism for non-ionizing identification of explosives. We use molecular dynamics simulations to compute such two-dimensional Raman spectra in the terahertz range for planar slabs made of PETN and ammonium nitrate. We discuss third-harmonic generation and polarization-conversion processes in such materials. These observed far-field spectral features of the reflected or transmitted light may serve as an alternative tool for stand-off explosive detection.

  5. Towards coherent control of energetic material initiation

    Energy Technology Data Exchange (ETDEWEB)

    Greenfield, Margo T [Los Alamos National Laboratory; Mcgrane, Shawn D [Los Alamos National Laboratory; Scharff, R Jason [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory

    2009-01-01

    Direct optical initiation (DOI) of energetic materials using coherent control of localized energy deposition requires depositing energy into the material to produce a critical size hot spot, which allows propagation of the reaction and thereby initiation, The hot spot characteristics needed for growth to initiation can be studied using quantum controlled initiation (QCI). Achieving direct quantum controlled initiation (QCI) in condensed phase systems requires optimally shaped ultrafast laser pulses to coherently guide the energy flow along the desired paths. As a test of our quantum control capabilities we have successfully demonstrated our ability to control the reaction pathway of the chemical system stilbene. An acousto-optical modulator based pulse shaper was used at 266 nm, in a shaped pump/supercontinuum probe technique, to enhance and suppress th relative yields of the cis- to trans-stilbene isomerization. The quantum control techniques tested in the stilbene experiments are currently being used to investigate QCI of the explosive hexanitroazobenzene (HNAB).

  6. Characterization of thermally degraded energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Renlund, A.M.; Miller, J.C.; Trott, W.M.; Erickson, K.L.; Hobbs, M.L.; Schmitt, R.G.; Wellman, G.W.; Baer, M.R.

    1997-12-31

    Characterization of the damage state of a thermally degraded energetic material (EM) is a critical first step in understanding and predicting cookoff behavior. Unfortunately, the chemical and mechanical responses of heated EMs are closely coupled, especially if the EM is confined. The authors have examined several EMs in small-scale experiments (typically 200 mg) heated in both constant-volume and constant-load configurations. Fixtures were designed to minimize free volume and to contain gas pressures to several thousand psi. The authors measured mechanical forces or displacements that correlated to thermal expansion, phase transitions, material creep and gas pressurization as functions of temperature and soak time. In addition to these real-time measurements, samples were recovered for postmortem examination, usually with scanning electron microscopy (SEM) and chemical analysis. The authors present results on EMs (HMX and TATB), with binders (e.g., PBX 9501, PBX 9502, LX-14) and propellants (Al/AP/HTPB).

  7. Environmentally compatible next generation green energetic materials (GEMs).

    Science.gov (United States)

    Talawar, M B; Sivabalan, R; Mukundan, T; Muthurajan, H; Sikder, A K; Gandhe, B R; Rao, A Subhananda

    2009-01-30

    This paper briefly reviews the literature work reported on the environmentally compatible green energetic materials (GEMs) for defence and space applications. Currently, great emphasis is laid in the field of high-energy materials (HEMs) to increase the environmental stewardship along with the deliverance of improved performance. This emphasis is especially strong in the areas of energetic materials, weapon development, processing, and disposal operations. Therefore, efforts are on to develop energetic materials systems under the broad concept of green energetic materials (GEMs) in different schools all over the globe. The GEMs program initiated globally by different schools addresses these challenges and establishes the framework for advances in energetic materials processing and production that promote compliance with environmental regulations. This review also briefs the principles of green chemistry pertaining to HEMs, followed by the work carried out globally on environmentally compatible green energetic materials and allied ingredients.

  8. Multidimensional DDT modeling of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Baer, M.R.; Hertel, E.S.; Bell, R.L.

    1995-07-01

    To model the shock-induced behavior of porous or damaged energetic materials, a nonequilibrium mixture theory has been developed and incorporated into the shock physics code, CTH. The foundation for this multiphase model is based on a continuum mixture formulation given by Baer and Nunziato. This multiphase mixture model provides a thermodynamic and mathematically-consistent description of the self-accelerated combustion processes associated with deflagration-to-detonation and delayed detonation behavior which are key modeling issues in safety assessment of energetic systems. An operator-splitting method is used in the implementation of this model, whereby phase diffusion effects are incorporated using a high resolution transport method. Internal state variables, forming the basis for phase interaction quantities, are resolved during the Lagrangian step requiring the use of a stiff matrix-free solver. Benchmark calculations are presented which simulate low-velocity piston impact on a propellant porous bed and experimentally-measured wave features are well replicated with this model. This mixture model introduces micromechanical models for the initiation and growth of reactive multicomponent flow that are key features to describe shock initiation and self-accelerated deflagration-to-detonation combustion behavior. To complement one-dimensional simulation, two-dimensional numerical calculations are presented which indicate wave curvature effects due to the loss of wall confinement. This study is pertinent for safety analysis of weapon systems.

  9. Biocidal Energetic Materials for the Destruction of Spore Forming Bacteria

    Science.gov (United States)

    2015-07-01

    L R E P O R T DTRA-TR-13-52 Biocidal Energetic Materials for the Destruction of Spore Forming Bacteria Distribution Statement A...Z39.18 00-07-2015 Technical N/A Biocidal Energetic Materials for the Destruction of Spore Forming Bacteria HDTRA1-10-1-0108 Emily M. Hunt, Ph.D. West...understand the interaction between spore forming bacteria and thermite reactions and products and to exploit energetic material reactions with

  10. Energetic materials destruction using molten salt

    Energy Technology Data Exchange (ETDEWEB)

    Upadhye, R.S.; Watkins, B.E.; Pruneda, C.O.; Brummond, W.A.

    1994-04-29

    The Lawrence Livermore National Laboratory in conjunction with the Energetic Materials Center is developing methods for the safe and environmentally sound destruction of explosives and propellants as a part of the Laboratory`s ancillary demilitarization mission. LLNL has built a small-scale unit to test the destruction of HE using the Molten Salt Destruction (MSD) Process. In addition to the high explosive HMX, destruction has been carried out on RDX, PETN, ammonium picrate, TNT, nitroguanadine, and TATB. Also destroyed was a liquid gun propellant comprising hydroxyammonium nitrate, triethanolammonium nitrate and water. In addition to these pure components, destruction has been carried out on a number of commonly used formulations, such as LX-10, LX-16, LX-17, and PBX-9404.

  11. Nanostructured energetic materials using sol-gel methodologies

    Energy Technology Data Exchange (ETDEWEB)

    Tillotson, T M; Simpson, R L; Hrubesh, L W; Gash, A E; Thomas, I M; Poco, J F

    2000-09-27

    The fundamental differences between energetic composites and energetic materials made from a monomolecular approach are the energy density attainable and the energy release rates. For the past 4 years, we have been exploiting sol-gel chemistry as a route to process energetic materials on a microstructural scale. At the last ISA conference, we described four specific sol-gel approaches to fabricating energetic materials and presented our early work and results on two methods - solution crystallization and powder addition. Here, we detail our work on a third approach, energetic nanocomposites. Synthesis of thermitic types of energetic nanocomposites are presented using transition and main group metal-oxide skeletons. Results on characterization of structure and performance will also be given.

  12. Energetic materials: crystallization, characterization and insensitive plastic bonded explosives

    NARCIS (Netherlands)

    Heijden, A.E.D.M. van der; Creyghton, Y.L.M.; Marino, E.; Bouma, R.H.B.; Scholtes, G.J.H.G.; Duvalois, W.; Roelands, C.P.M.

    2008-01-01

    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 contain

  13. Particle coating – a novel trend in energetic materials engineering

    NARCIS (Netherlands)

    Abadjieva, E.; Heijden, A.E.D.M. van der; Creyghton, Y.L.M.

    2010-01-01

    The development of new energetic materials with enhanced blast properties requires better understanding of factors as particle type, size and particle/matrix distribution. The ability of growing a coating on particles opens new possibilities in energetic materials engineering. Functionalities as

  14. Synthesis and Characterization of Mixed Metal Oxide Nanocomposite Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Gash, A; Pantoya, M; Jr., J S; Zhao, L; Shea, K; Simpson, R; Clapsaddle, B

    2003-11-18

    In the field of composite energetic materials, properties such as ingredient distribution, particle size, and morphology, affect both sensitivity and performance. Since the reaction kinetics of composite energetic materials are typically controlled by the mass transport rates between reactants, one would anticipate new and potentially exceptional performance from energetic nanocomposites. We have developed a new method of making nanostructured energetic materials, specifically explosives, propellants, and pyrotechnics, using sol-gel chemistry. A novel sol-gel approach has proven successful in preparing metal oxide/silicon oxide nanocomposites in which the metal oxide is the major component. Two of the metal oxides are tungsten trioxide and iron(III) oxide, both of which are of interest in the field of energetic materials. Furthermore, due to the large availability of organically functionalized silanes, the silicon oxide phase can be used as a unique way of introducing organic additives into the bulk metal oxide materials. As a result, the desired organic functionality is well dispersed throughout the composite material on the nanoscale. By introducing a fuel metal into the metal oxide/silicon oxide matrix, energetic materials based on thermite reactions can be fabricated. The resulting nanoscale distribution of all the ingredients displays energetic properties not seen in its microscale counterparts due to the expected increase of mass transport rates between the reactants. The synthesis and characterization of these metal oxide/silicon oxide nanocomposites and their performance as energetic materials will be discussed.

  15. Energetic materials: crystallization, characterization and insensitive plastic bonded explosives

    NARCIS (Netherlands)

    Heijden, A.E.D.M. van der; Creyghton, Y.L.M.; Marino, E.; Bouma, R.H.B.; Scholtes, G.J.H.G.; Duvalois, W.; Roelands, C.P.M.

    2008-01-01

    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

  16. Shear initiated reactions in energetic and reactive materials

    NARCIS (Netherlands)

    Meuken, B.; Martinez Pacheco, M.; Verbeek, H.J.; Bouma, R.H.B.; Katgerman, L.

    2006-01-01

    Deformation of energetic materials may cause undesired reactions and therefore hazardous situations. The deformation of an energetic material and in particular shear deformation is studied in this paper. Understanding of the phenomena leading to shear initiation is not only necessary to explain for

  17. Shear initiated reactions in energetic and reactive materials

    NARCIS (Netherlands)

    Meuken, B.; Martinez Pacheco, M.; Verbeek, H.J.; Bouma, R.H.B.; Katgerman, L.

    2006-01-01

    Deformation of energetic materials may cause undesired reactions and therefore hazardous situations. The deformation of an energetic material and in particular shear deformation is studied in this paper. Understanding of the phenomena leading to shear initiation is not only necessary to explain for

  18. Cutting tool materials for high speed machining

    Institute of Scientific and Technical Information of China (English)

    LIU Zhanqiang; AI Xing

    2005-01-01

    High speed machining (HSM) is one of the emerging cutting processes, which is machining at a speed significantlyhigher than the speed commonly in use on the shop floor. In the last twenty years, high speed machining has received great attentions as a technological solution for high productivity in manufacturing. This article reviews the developments of tool materials in high speed machining operations, and the properties, applications and prospective developments of tool materials in HSM are also presented.

  19. Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.

    Science.gov (United States)

    Zhang, Jiaheng; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2015-08-26

    Development of modern high-performance insensitive energetic materials is significant because of the increasing demands for both military and civilian applications. Here we propose a rapid and facile strategy called the "layer hydrogen bonding pairing approach" to organize energetic molecules via layer-by-layer stacking, which grants access to tunable energetic materials with targeted properties. Using this strategy, an unusual energetic salt, hydroxylammonium 4-amino-furazan-3-yl-tetrazol-1-olate, with good detonation performances and excellent sensitivities, was designed, synthesized, and fully characterized. In addition, the expected unique layer-by-layer structure with a high crystal packing coefficient was confirmed by single-crystal X-ray crystallography. Calculations indicate that the layer-stacking structure of this material can absorb the mechanical stimuli-induced kinetic energy by converting it to layer sliding, which results in low sensitivity.

  20. Chemical Conversion of Energetic Materials to Higher Value Products

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A R; Hsu, P C; Coburn, M D; Schmidt, R D; Pagoria, P F; Lee, G S

    2005-04-19

    The objective of this program is to develop new processes for the disposal of surplus energetic materials. Disposal through open burning/open detonation (OB/OD) is considered less attractive today due to environmental, cost and safety concerns. The use of energetic materials as chemical feedstocks for higher value products can provide environmentally sound and cost-effective alternatives to OB/OD. Our recent studies on the conversion of surplus energetic materials (Explosive D, TNT) to higher value products will be described.

  1. Synthesis and Characterization of Mixed Metal Oxide Nanocomposite Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Clapsaddle, B; Gash, A; Plantier, K; Pantoya, M; Jr., J S; Simpson, R

    2004-04-27

    In the field of composite energetic materials, properties such as ingredient distribution, particle size, and morphology affect both sensitivity and performance. Since the reaction kinetics of composite energetic materials are typically controlled by the mass transport rates between reactants, one would anticipate new and potentially exceptional performance from energetic nanocomposites. We have developed a new method of making nanostructured energetic materials, specifically explosives, propellants, and pyrotechnics, using sol-gel chemistry. A novel sol-gel approach has proven successful in preparing metal oxide/silicon oxide nanocomposites in which the metal oxide is the major component. By introducing a fuel metal, such as aluminum, into the metal oxide/silicon oxide matrix, energetic materials based on thermite reactions can be fabricated. Two of the metal oxides are tungsten trioxide and iron(III) oxide, both of which are of interest in the field of energetic materials. In addition, due to the large availability of organically functionalized silanes, the silicon oxide phase can be used as a unique way of introducing organic additives into the bulk metal oxide materials. These organic additives can cause the generation of gas upon ignition of the materials, therefore resulting in a composite material that can perform pressure/volume work. Furthermore, the desired organic functionality is well dispersed throughout the composite material on the nanoscale with the other components, and is therefore subject to the same increased reaction kinetics. The resulting nanoscale distribution of all the ingredients displays energetic properties not seen in its microscale counterparts due to the expected increase of mass transport rates between the reactants. The synthesis and characterization of iron(III) oxide/organosilicon oxide nanocomposites and their performance as energetic materials will be discussed.

  2. Investigations of Novel Energetic Materials to Stabilize Rocket Motors

    Science.gov (United States)

    2002-04-30

    and various additives were developed in the second half of the 20th Century. The earliest such propellants were asphalt -based developed at GALCIT with...Decomposition of Energetic Materials 74. Volatile Metal Isocyanates from Flash Pyrolysis of Metal-NTO and Metal-Picrate Salts and an Application Hypothesis...B. Brill, T. L. Zhang and B. C. Tappan, Thermal Decomposition of Energetic Materials 74. Volatile Metal Isocyanates from Flash Pyrolysis of Metal-NTO

  3. Energetic Materials Effects on Essential Soil Processes: Decomposition of Orchard Grass (Dactylis glomerata) Litter in Soil Contaminated with Energetic Materials

    Science.gov (United States)

    2014-02-01

    GRASS (DACTYLIS GLOMERATA) LITTER IN SOIL CONTAMINATED WITH ENERGETIC MATERIALS ECBC-TR-1199 Roman G. Kuperman Ronald T. Checkai Michael Simini...of Orchard Grass (Dactylis glomerata) Litter in Soil Contaminated with Energetic Materials 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...soils using the U.S. Environmental Protection Agency Method 8330A. The results showed that soil contamination with 2,4-DNT or NG can inhibit litter

  4. Environmentally Responsible Energetic Materials: Another Look at the Styphnates

    Science.gov (United States)

    Collins, Adam; Angliss, Timothy; Proud, William

    2009-06-01

    Lead Styphnate (lead 2,4,6-trinitroresorcinate) has many applications as a primary explosive, most notably in priming compositions. Its largest drawback, however, is the toxicity of lead. Heavy metals often feature in primary explosives, providing favourable density, bonding, and reaction products; but, the toxic nature of heavy metals makes these explosives of limited use. Current research efforts are being made to design new energetic materials (such as those based around the 5-nitrotetrazole molecule), but familiar energetics can still be of use. The styphnate anion provides many favourable energetic qualities (such as a ring structure and nitro groups), and while the lead salt has proven its usefulness, other metallic styphnates also provide a range of energetic qualities. This paper reports on ignition thresholds, energetic output, and thermal properties of the following salts of trinitroresorcinol: Barium, Bismuth, Calcium, Copper, Lithium, and Lead. Such information provides a list of characterized energetic materials, but also insight into how metal cations can control measurable energetic effects at the molecular and crystal level.

  5. Effect of pressure vents on the fast cookoff of energetic materials.

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, Marcia A.; Oliver, Michael S.; Erikson, William W

    2013-10-01

    The effect of vents on the fast cookoff of energetic materials is studied through experimental modifications to the confinement vessel of the Radiant Heat Fast Cookoff Apparatus. Two venting schemes were investigated: 1) machined grooves at the EM-cover plate interface; 2) radial distribution of holes in PEEK confiner. EM materials of PBXN-109 and PBX 9502 were tested. Challenges with the experimental apparatus and EM materials were identified such that studying the effect of vents as an independent parameter was not realized. The experimental methods, data and post-test observations are presented and discussed.

  6. Laser-assisted machining of difficult-to-machine materials

    Energy Technology Data Exchange (ETDEWEB)

    Incropera, F.P.; Rozzi, J.C.; Pfefferkorn, F.E.; Lei, S.; Shin, Y.C.

    1999-07-01

    Laser-assisted machining (LAM) is a hybrid process for which a difficult-to-machine material, such as a ceramic or super alloy, is irradiated by a laser source prior to material removal by a cutting tool. The process has the potential to significantly increase material removal rates, as well as to improve the geometry and properties of the finished work piece. Features and limitations of theoretical and experimental procedures for determining the transient thermal response of a work piece during LAM are described, and representative results are presented for laser-assisted turning of sintered silicon nitride. Significant physical trends are revealed by the calculations, as are guidelines for the selection of appropriate operating conditions.

  7. Chemical rocket propulsion a comprehensive survey of energetic materials

    CERN Document Server

    Shimada, Toru; Sinditskii, Valery; Calabro, Max

    2017-01-01

    Developed and expanded from the work presented at the New Energetic Materials and Propulsion Techniques for Space Exploration workshop in June 2014, this book contains new scientific results, up-to-date reviews, and inspiring perspectives in a number of areas related to the energetic aspects of chemical rocket propulsion. This collection covers the entire life of energetic materials from their conceptual formulation to practical manufacturing; it includes coverage of theoretical and experimental ballistics, performance properties, as well as laboratory-scale and full system-scale, handling, hazards, environment, ageing, and disposal. Chemical Rocket Propulsion is a unique work, where a selection of accomplished experts from the pioneering era of space propulsion and current technologists from the most advanced international laboratories discuss the future of chemical rocket propulsion for access to, and exploration of, space. It will be of interest to both postgraduate and final-year undergraduate students in...

  8. Cesium pentazolate: A new nitrogen-rich energetic material

    Science.gov (United States)

    Steele, Brad A.; Stavrous, Elissaios; Prakapenka, Vitali B.; Radousky, Harry; Zaug, Joseph; Crowhurst, Jonathan C.; Oleynik, Ivan I.

    2017-01-01

    We report theoretical and experimental evidence for a new class of high-nitrogen content energetic material compounds consisting of molecular pentazoles, which are stabilized in the crystal phase upon introduction of elemental cesium. First-principles structural predictions show that the material with composition CsN5 is thermodynamically stable above 15 GPa. Indexing of the measured X-ray diffraction spectra indicate the synthesis of this material at 60 GPa as well its stability upon decompression down to 24 GPa.

  9. Thermal Damage Characterization of Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, P C; DeHaven, M R; Springer, H K; Maienschein, J L

    2009-08-14

    We conducted thermal damage experiments at 180?C on PBXN-9 and characterized its material properties. Volume expansion at high temperatures was very significant which led to a reduction in material density. 2.6% of weight loss was observed, which was higher than other HMX-based formulations. Porosity of PBXN-9 increased to 16% after thermal exposure. Small-scale safety tests (impact, friction, and spark) showed no significant sensitization when the damaged samples were tested at room temperature. Gas permeation measurements showed that gas permeability in damaged materials was several orders of magnitude higher than that in pristine materials. In-situ measurements of gas permeability and density were proved to be possible at higher temperatures.

  10. Laser applications in machining slab materials

    Science.gov (United States)

    Zhang, Xiaoping

    1990-10-01

    Since the invention of the laser back in 1960, laser technology has been extensively applied in many fields of science and technology. These has been a history of nearly two decades of using lasers as an energy source in machining materials, such as cutting, welding, ruling and boring, among other operations. With the development of flexible automation in production, the advantages of laser machining have has grown more and more obvious. The combination of laser technology and computer science further promotes the enhancement and upgrading of laser machining and related equipment. At present, many countries are building high quality laser equipment for machining slab materials, such as the Coherent and Spectra Physics corporations in the United States, the Trumpf Corporation in West Germany, the Amada Corporation in Japan, and the Bystronic Corporation in Switzerland, among other companies.

  11. Cutting temperature measurement and material machinability

    Directory of Open Access Journals (Sweden)

    Nedić Bogdan P.

    2014-01-01

    Full Text Available Cutting temperature is very important parameter of cutting process. Around 90% of heat generated during cutting process is then away by sawdust, and the rest is transferred to the tool and workpiece. In this research cutting temperature was measured with artificial thermocouples and question of investigation of metal machinability from aspect of cutting temperature was analyzed. For investigation of material machinability during turning artificial thermocouple was placed just below the cutting top of insert, and for drilling thermocouples were placed through screw holes on the face surface. In this way was obtained simple, reliable, economic and accurate method for investigation of cutting machinability.

  12. New fluidized bed reactor for coating of energetic materials

    NARCIS (Netherlands)

    Abadjieva, E.; Huijser, T.; Creyghton, Y.L.M.; Heijden, A.E.D.M. van der

    2009-01-01

    The process of altering and changing the properties of the energetic materials by coating has been studied extensively by several scientific groups. According to the desired application different coating techniques have been developed and applied to achieve satisfactory results. Among the already de

  13. New fluidized bed reactor for coating of energetic materials

    NARCIS (Netherlands)

    Abadjieva, E.; Huijser, T.; Creyghton, Y.L.M.; Heijden, A.E.D.M. van der

    2009-01-01

    The process of altering and changing the properties of the energetic materials by coating has been studied extensively by several scientific groups. According to the desired application different coating techniques have been developed and applied to achieve satisfactory results. Among the already

  14. Propulsion and energetic materials research in the Netherlands

    NARCIS (Netherlands)

    Zevenbergen, J.F.; Pekalski, A.A.; Heijden, A.E.D.M. van der; Keizers, H.L.J.; Berg, R.P. van den; Maree, A.G.M.; Vliet, L.D. van; Welland, W.H.M.; Wierckx, F.J.M.

    2005-01-01

    Fundamental research on new and existing propellant formulations and energetic materials in the Netherlands is essentially carried out by the Delft University of Technology, Utrecht University, the Dutch Defense Laboratory ‘TNO Defense Security and Safety’ and the SME Aerospace Propulsion Products.

  15. Application of advanced materials to rotating machines

    Science.gov (United States)

    Triner, J. E.

    1983-01-01

    In discussing the application of advanced materials to rotating machinery, the following topics are covered: the torque speed characteristics of ac and dc machines, motor and transformer losses, the factors affecting core loss in motors, advanced magnetic materials and conductors, and design tradeoffs for samarium cobalt motors.

  16. Recent advances in the molten salt destruction of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Pruneda, C. O., LLNL

    1996-09-01

    We have demonstrated the use of the Molten Salt Destruction (MSD) Process for destroying explosives, liquid gun propellant, and explosives-contaminated materials on a 1.5 kg of explosive/hr bench- scale unit (1, 2, 3, 4, 5). In our recently constructed 5 kg/hr pilot- scale unit we have also demonstrated the destruction of a liquid gun propellant and simulated wastes containing HMX (octogen). MSD converts the organic constituents of the waste into non-hazardous substances such as carbon dioxide, nitrogen, and water. Any inorganic constituents of the waste, such as metallic particles, are retained in the molten salt. The destruction of energetic materials waste is accomplished by introducing it, together with air, into a vessel containing molten salt (a eutectic mixture of sodium, potassium, and lithium carbonates). The following pure explosives have been destroyed in our bench-scale experimental unit located at Lawrence Livermore National Laboratory`s (LLNL) High Explosives Applications Facility (HEAF): ammonium picrate, HMX, K- 6 (keto-RDX), NQ, NTO, PETN, RDX, TATB, and TNT. In addition, the following compositions were also destroyed: Comp B, LX- IO, LX- 1 6, LX- 17, PBX-9404, and XM46 (liquid gun propellant). In this 1.5 kg/hr bench-scale unit, the fractions of carbon converted to CO and of chemically bound nitrogen converted to NO{sub x} were found to be well below 1%. In addition to destroying explosive powders and compositions we have also destroyed materials that are typical of residues which result from explosives operations. These include shavings from machined pressed parts of plastic-bonded explosives and sump waste containing both explosives and non-explosive debris. Based on the process data obtained on the bench-scale unit we designed and constructed a next-generation 5 kg/hr pilot-scale unit, incorporating LLNL`s advanced chimney design. The pilot unit has completed process implementation operations and explosives safety reviews. To date, in this

  17. Nanostructured energetic materials derived from sol-gel chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, R L; Tillotson, T M; Hrubesh, L W; Gash, A E

    2000-03-15

    Initiation and detonation properties are dramatically affected by an energetic material's microstructural properties. Sol-gel chemistry allows intimacy of mixing to be controlled and dramatically improved over existing methodologies. One material goal is to create very high power energetic materials which also have high energy densities. Using sol-gel chemistry we have made a nanostructured composite energetic material. Here a solid skeleton of fuel, based on resorcinol-formaldehyde, has nanocrystalline ammonium perchlorate, the oxidizer, trapped within its pores. At optimum stoichiometry it has approximately the energy density of HMX. Transmission electron microscopy indicated no ammonium perchlorate crystallites larger than 20 nm while near-edge soft x-ray absorption microscopy showed that nitrogen was uniformly distributed, at least on the scale of less than 80 nm. Small-angle neutron scattering studies were conducted on the material. Those results were consistent with historical ones for this class of nanostructured materials. The average skeletal primary particle size was on the order of 2.7 nm, while the nanocomposite showed the growth of small 1 nm size crystals of ammonium perchlorate with some clustering to form particles greater than 10 nm.

  18. The Reactivity of Energetic Materials At Extreme Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Fried, L E

    2006-10-23

    Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Although the history of HE materials is long, their condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary for efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In modeling HE materials there is a need to better understand the physical, chemical, and mechanical behaviors from fundamental theoretical principles. Among the quantities of interest in plastic-bonded explosives (PBXs), for example, are thermodynamic stabilities, reaction kinetics, equilibrium transport coefficients, mechanical moduli, and interfacial properties between HE materials and the polymeric binders. These properties are needed (as functions of stress state and temperature) for the development of improved micro-mechanical models, which represent the composite at the level of grains and binder. Improved micro-mechanical models are needed to describe the responses of PBXs to dynamic stress or thermal loading, thus yielding information for use in developing continuum models. Detailed descriptions of the chemical reaction mechanisms of condensed energetic materials at high densities and temperatures are essential for understanding events that occur at the reactive front under combustion or detonation conditions. Under

  19. Modeling thermal/chemical/mechanical response of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Baer, M.R.; Hobbs, M.L.; Gross, R.J. [and others

    1995-07-01

    An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.

  20. Modeling the Reactions of Energetic Materials in the Condensed Phase

    Energy Technology Data Exchange (ETDEWEB)

    Fried, L E; Manaa, M R; Lewis, J P

    2003-12-03

    High explosive (HE) materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Although the history of HE materials is long, condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary in efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In addition, understanding the reaction mechanisms has important ramifications in disposing of such materials safely and cheaply, as there exist vast stockpiles of HE materials with corresponding contamination of earth and groundwater at these sites, as well as a military testing sites The ability to model chemical reaction processes in condensed phase energetic materials is rapidly progressing. Chemical equilibrium modeling is a mature technique with some limitations. Progress in this area continues, but is hampered by a lack of knowledge of condensed phase reaction mechanisms and rates. Atomistic modeling is much more computationally intensive, and is currently limited to very short time scales. Nonetheless, this methodology promises to yield the first reliable insights into the condensed phase processes responsible for high explosive detonation. Further work is necessary to extend the timescales involved in atomistic simulations. Recent work in implementing thermostat methods appropriate to shocks may promise to overcome some of these difficulties. Most current work on energetic material reactivity assumes that electronically adiabatic processes dominate. The role of excited states is becoming clearer, however. These states are not accessible in perfect

  1. Sensitivity and performance of azole-based energetic materials.

    Science.gov (United States)

    Yu, Zijun; Bernstein, Elliot R

    2013-10-24

    Imidazole, pyrazole, 1,2,3-triazole-, 1,2,4-triazole-, and tetrazole-based energetic materials are theoretically investigated by employing density functional theory (DFT). Heats of formation (ΔfH(0)'s) for the studied compounds (298 K) in the gas phase are determined at the B3P86/6-311G (d, p) theory level through isodesmic reactions. The bond dissociation energies (BDEs) corresponding to NO2, NH2, CH3, and Cl removal from carbon or nitrogen positions of the azole ring are also calculated at the B3P86/6-311G (d, p) theory level. The substituent effect of electron-withdrawing (NO2, Cl) and electron-donating (NH2, CH3) groups on the ΔfH(0)s and BDEs is discussed. Both electron-withdrawing groups and electron-donating groups (except the CH3 group) dramatically increase the ΔfH(0)s of these energetic materials when the substituent is at an N position on the azole ring. For substitution at a C atom on the azole ring, electron-withdrawing and electron-donating groups have different effects on the ΔfH(0)s for different azole compounds. A correlation is developed for this series of energetics between impact sensitivity h50% and the defined sensitivity index (SI): based on this empirical relationship and its extrapolation, the impact sensitivities of compounds for which experiments are not available are provided. The promising energetic compounds in each groups, which have potentially good energetic performance and low sensitivity, are 1-amino-2,4,5-trinitroimidazole, 1-amino-3,4,5-trinitropyrazole, 1,4-dinitro-1,2,3-triazole, 1,3-dinitro-1,2,4-triazole, and 1-nitrotetrazole.

  2. Evaluation of nanoparticles in the performance of energetic materials

    Directory of Open Access Journals (Sweden)

    José Atílio Fritz Fidel Rocco

    2010-04-01

    Full Text Available The addition of nanosized metal particles in propulsion systems such as solid and liquid propellants, hybrid propellant and ramjet motors has recently became a major focus of research. Significant increases in the burning velocity and in the specific impulse are some of the advantages of using nano-scale energetic materials in many different types of propulsion systems. Aluminum has been largely employed as a metallic additive in energetic materials, also in a recently new propulsion system (aluminum/ice propulsion, “Alice”, and some studies show that the advantages of using nanosized aluminum instead of microsized aluminum are facilitating the ignition of the systems and allowing better incorporation of the components in the formulations and improving its homogeneity. Some of the combustion processes that require high pressures and even higher temperatures can occur in moderate conditions due to the increase of the surface area of the reactants, in this case, the metallic additive.

  3. Ultrafast laser diagnostics to investigate initiation fundamentals in energetic materials.

    Energy Technology Data Exchange (ETDEWEB)

    Farrow, Darcie; Jilek, Brook Anton; Kohl, Ian Thomas; Kearney, Sean Patrick

    2013-08-01

    We present the results of a two year early career LDRD project, which has focused on the development of ultrafast diagnostics to measure temperature, pressure and chemical change during the shock initiation of energetic materials. We compare two single-shot versions of femtosecond rotational CARS to measure nitrogen temperature: chirped-probe-pulse and ps/fs hybrid CARS thermometry. The applicability of measurements to the combustion of energetic materials will be discussed. We have also demonstrated laser shock and particle velocity measurements in thin film explosives using stretched femtosecond laser pulses. We will discuss preliminary results from Al and PETN thin films. Agreement between our results and previous work will be discussed.

  4. Electronic State Decomposition of Energetic Materials and Model Systems

    Science.gov (United States)

    2010-11-17

    tetrazine1,4-dioxde ( DATO ), is investigated. Although these molecules are based on N -oxides of a tetrazine aromatic heterocyclic ring, their...nitramines, furazan, tetrazines, tetrazine-N oxides, terazoles, PETN, RDX,HMX,CL-20,DAATO,ACTO, DATO ,conical intersections Elliot R Bernstein Colorado State...Tetrazine-N-Oxide Based High Nitrogen Content Energetic Materials from Excited Electronic States," J. Chem. Phys. 131, 194304 (2009). A

  5. Preparation and reactivity of gasless nanostructured energetic materials.

    Science.gov (United States)

    Manukyan, Khachatur V; Shuck, Christopher E; Rogachev, Alexander S; Mukasyan, Alexander S

    2015-04-02

    High-Energy Ball Milling (HEBM) is a ball milling process where a powder mixture placed in the ball mill is subjected to high-energy collisions from the balls. Among other applications, it is a versatile technique that allows for effective preparation of gasless reactive nanostructured materials with high energy density per volume (Ni+Al, Ta+C, Ti+C). The structural transformations of reactive media, which take place during HEBM, define the reaction mechanism in the produced energetic composites. Varying the processing conditions permits fine tuning of the milling-induced microstructures of the fabricated composite particles. In turn, the reactivity, i.e., self-ignition temperature, ignition delay time, as well as reaction kinetics, of high energy density materials depends on its microstructure. Analysis of the milling-induced microstructures suggests that the formation of fresh oxygen-free intimate high surface area contacts between the reagents is responsible for the enhancement of their reactivity. This manifests itself in a reduction of ignition temperature and delay time, an increased rate of chemical reaction, and an overall decrease of the effective activation energy of the reaction. The protocol provides a detailed description for the preparation of reactive nanocomposites with tailored microstructure using short-term HEBM method. It also describes a high-speed thermal imaging technique to determine the ignition/combustion characteristics of the energetic materials. The protocol can be adapted to preparation and characterization of a variety of nanostructured energetic composites.

  6. Diagnostics for the Analysis of Surface Chemistry Effects on Composite Energetic Material Reactions

    Science.gov (United States)

    2015-10-30

    Distribution Unlimited Final Report: Diagnostics for the Analysis of Surface Chemistry Effects on Composite Energetic Material Reactions The views...peer-reviewed journals: Final Report: Diagnostics for the Analysis of Surface Chemistry Effects on Composite Energetic Material Reactions Report...2.00 4.00 Evan Vargas, Michelle L. Pantoya, Mohammed A Saed, Brandon L Weeks. Advanced Susceptors for Microwave Heating of Energetic Materials

  7. 77 FR 25932 - Revisions to the Export Administration Regulations (EAR): Control of Energetic Materials and...

    Science.gov (United States)

    2012-05-02

    ... Regulations (EAR): Control of Energetic Materials and Related Articles That the President Determines No Longer... this proposed rule describing how energetic materials and related articles that the President determines no longer warrant control under Category V (Explosives and Energetic Materials, Propellants...

  8. Machining, joining and modifications of advanced materials

    CERN Document Server

    Altenbach, Holm

    2016-01-01

    This book presents the latest advances in mechanical and materials engineering applied to the machining, joining and modification of modern engineering materials. The contributions cover the classical fields of casting, forming and injection moulding as representative manufacturing methods, whereas additive manufacturing methods (rapid prototyping and laser sintering) are treated as more innovative and recent technologies that are paving the way for the manufacturing of shapes and features that traditional methods are unable to deliver. The book also explores water jet cutting as an innovative cutting technology that avoids the heat build-up typical of classical mechanical cutting. It introduces readers to laser cutting as an alternative technology for the separation of materials, and to classical bonding and friction stir welding approaches in the context of joining technologies. In many cases, forming and machining technologies require additional post-treatment to achieve the required level of surface quali...

  9. Nanostructured Energetic Materials with Sol-Gel Methods

    Energy Technology Data Exchange (ETDEWEB)

    Gash, A; Satcher, J; Simpson, R; Clapsaddle, B

    2003-11-25

    The utilization of sol-gel chemical methodology to prepare nanostructured energetic materials as well as the concepts of nanoenergetics is described. The preparation and characterization of two totally different compositions is detailed. In one example, nanostructured aerogel and xerogel composites of sol-gel iron (III) oxide and ultra fine grained aluminum (UFG Al) are prepared, characterized, and compared to a conventional micron-sized Fe{sub 2}O{sub 3}/Al thermite. The exquisite degree of mixing and intimate nanostructuring of this material is illustrated using transmission and scanning electron microscopies (TEM and SEM). The nanocomposite material has markedly different energy release (burn rate) and thermal properties compared to the conventional composite, results of which will be discussed. Small-scale safety characterization was performed aerogels and xerogels of the nanostructured thermite. The second nanostructured energetic material consists of a nanostructured hydrocarbon resin fuel network with fine ammonium perchlorate (NH{sub 4}ClO{sub 4}) oxidizer present.

  10. Dynamic behavior of particulate/porous energetic materials

    Science.gov (United States)

    Nesterenko, Vitali F.; Chiu, Po-Hsun; Braithwaite, C. H.; Collins, Adam; Williamson, David Martin; Olney, Karl L.; Benson, David; McKenzie, Francesca

    2012-03-01

    Dynamic behavior of particulate/porous energetic materials in a broad range of dynamic conditions (low velocity impact and explosively driven expansion of rings) is discussed. Samples of these materials were fabricated using Cold Isostatic Pressing and Hot Isostatic Pressing with and without vacuum encapsulation. The current interest in these materials is due to the combination of their high strength and output of energy under critical conditions of mechanical deformation. They may exhibit high compressive and tensile strength with the ability to undergo bulk distributed fracture resulting in small size reactive fragments. The mechanical properties of these materials and the fragment sizes produced by fracturing are highly sensitive to mesostructure. For example, the dynamic strength of Al-W composites with fine W particles is significantly larger than the strength of composites with coarse W particles at the same porosity. The morphology of W inclusions had a strong effect on the dynamic strength and fracture pattern. Experimental results are compared with numerical data.

  11. Advances in science and technology of modern energetic materials: an overview.

    Science.gov (United States)

    Badgujar, D M; Talawar, M B; Asthana, S N; Mahulikar, P P

    2008-03-01

    Energetic materials such as explosives, propellants and pyrotechnics are widely used for both civilian and military explosives applications. The present review focuses briefly on the synthesis aspects and some of the physico-chemical properties of energetic materials of the class: (a) aminopyridine-N-oxides, (b) energetic azides, (c) high nitrogen content energetic materials, (d) imidazoles, (e) insensitive energetic materials, (f) oxidizers, (g) nitramines, (h) nitrate esters and (i) thermally stable explosives. A brief comment is also made on the emerging nitration concepts. This paper also reviews work done on primary explosives of current and futuristic interest based on energetic co-ordination compounds. Lead-free co-ordination compounds are the candidates of tomorrow's choice in view of their additional advantage of being eco-friendly. Another desirable attribute of lead free class of energetic compounds is the presence of almost equivalent quantity of fuel and oxidizer moieties. These compounds may find wide spectrum of futuristic applications in the area of energetic materials. The over all aim of the high energy materials research community is to develop the more powerful energetic materials/explosive formulations/propellant formulations in comparison to currently known benchmark materials/compositions. Therefore, an attempt is also made to highlight the important contributions made by the various researchers in the frontier areas energetic ballistic modifiers, energetic binders and energetic plasticizers.

  12. Machinability of CAD-CAM materials.

    Science.gov (United States)

    Chavali, Ramakiran; Nejat, Amir H; Lawson, Nathaniel C

    2017-08-01

    Although new materials are available for computer-aided design and computer-aided manufacturing (CAD-CAM) fabrication, limited information is available regarding their machinability. The depth of penetration of a milling tool into a material during a timed milling cycle may indicate its machinability. The purpose of this in vitro study was to compare the tool penetration rate for 2 polymer-containing CAD-CAM materials (Lava Ultimate and Enamic) and 2 ceramic-based CAD-CAM materials (e.max CAD and Celtra Duo). The materials were sectioned into 4-mm-thick specimens (n=5/material) and polished with 320-grit SiC paper. Each specimen was loaded into a custom milling apparatus. The apparatus pushed the specimens against a milling tool (E4D Tapered 2016000) rotating at 40 000 RPM with a constant force of 0.98 N. After a 6-minute timed milling cycle, the length of each milling cut was measured with image analysis software under a digital light microscope. Representative specimens and milling tools were examined with scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy. The penetration rate of Lava Ultimate (3.21 ±0.46 mm/min) and Enamic (2.53 ±0.57 mm/min) was significantly greater than that of e.max CAD (1.12 ±0.32 mm/min) or Celtra Duo (0.80 ±0.21 mm/min) materials. SEM observations showed little tool damage, regardless of material type. Residual material was found on the tools used with polymer-containing materials, and wear of the embedding medium was seen on the tools used with the ceramic-based materials. Edge chipping was noted on cuts made in the ceramic-based materials. Lava Ultimate and Enamic have greater machinability and less edge chipping than e.max CAD and Celtra Duo. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  13. Electrostatic Discharge Sensitivity and Electrical Conductivity of Composite Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Michael A. Daniels; Daniel J. Prentice; Chelsea Weir; Michelle L. Pantoya; Gautham Ramachandran; Tim Dallas

    2013-02-01

    Composite energetic material response to electrical stimuli was investigated and a correlation between electrical conductivity and ignition sensitivity was examined. The composites consisted of micrometer particle aluminum combined with another metal, metal oxide, or fluoropolymer. Of the nine tested mixtures, aluminum with copper oxide was the only mixture to ignite by electrostatic discharge with minimum ignition energy (MIE) of 25 mJ and an electrical conductivity of 1246.25 nS; two orders of magnitude higher than the next composite. This study showed a similar trend in MIE for ignition triggered by a discharged spark compared with a thermal hot wire source.

  14. Synthesis of New Energetic Materials and Ionic Liquids Derived from Metronidazole

    OpenAIRE

    Romero, Miguel A.

    2016-01-01

    Simple and efficient synthetic procedures were established for the preparation of new energetic covalent compounds, salts, and protonated ionic liquids based on the readily available antimicrobial agent metronidazole. Some of these materials exhibit the desirable properties of energetic materials and energetic ionic liquids, such as low vapor pressure, low melting point, good chemical and thermal stability, and high energetic content. For each of the relevant compounds prepared, thermal stabi...

  15. Theoretical studies on energetic materials bearing pentaflurosulphyl (SF5) groups

    Indian Academy of Sciences (India)

    Li Xiao-Hong; Cui Hong-Ling; Ju Wei-Wei; Li Tong-Wei; Zhang Rui-Zhou; Yong Yong-Liang

    2014-07-01

    Heats of formation (HOF) for a series of energetic materials containing SF5 group were studied by density functional theory. Results show that HOFs increase with the augmention of field effects of substituted groups. Addition of furazan or furoxan ring increases HOF of the energetic materials. All the SF5-containing compounds have densities which are ∼0.19 g/cm3 higher than those containing -NH2 group. S-F bond is the trigger bond for the thermolysis process in the title compounds and bond dissociation energies of the weakest bonds range from 351.1 to 388.3 kJ/mol. Detonation velocities (D) and pressures (P) are evaluated by Kamlet-Jacobs equations with the calculated densities and HOFs. Results show that increasing the amount of furazan rings results in a larger D and P. Considering the detonation performance and thermal stability, eight compounds may be considered as potential candidates for high-energy density materials.

  16. On the propagation of Voigt waves in energetically active materials

    Science.gov (United States)

    Mackay, Tom G.; Lakhtakia, Akhlesh

    2016-11-01

    If Voigt-wave propagation is possible in a dissipative anisotropic dielectric material characterised by the permittivity dyadic \\mathop{\\varepsilon }\\limits\\raise{2pt=}, then it is also possible in the analogous energetically active material characterised by the permittivity dyadic \\mathop{\\tilde{\\varepsilon }}\\limits\\raise{2pt=}, where \\mathop{\\tilde{\\varepsilon }}\\limits\\raise{2pt=} is the hermitian conjugate of \\mathop{\\varepsilon }\\limits\\raise{2pt=}. This symmetry follows directly from a theoretical analysis of the necessary and sufficient conditions for Voigt-wave propagation in anisotropic materials. As a consequence of this symmetry, a porous dissipative material that exhibits Voigt-wave propagation can be used to construct a material that allows the propagation of Voigt waves with attendant linear gain in amplitude with propagation distance, by means of infiltration with an electrically or optically activated dye, for example. This phenomenon is captured by the Bruggeman formalism for homogenised composite materials based on isotropic dielectric component materials that are randomly distributed as oriented spheroidal particles.

  17. Controlled nanopatterning & modifications of materials by energetic ions

    Science.gov (United States)

    Sinha, O. P.

    2016-05-01

    Compound semiconductors (InP, InAs and GaSb) has been exposed to energetic 3kev Ar+ ions for a varying fluence range of 1013 ions/cm2 to 1018 ions/cm2 at room temperature. Morphological modifications of the irradiated surfaces have been investigated by Scanning Tunneling Microscopy (STM) in UHV conditions. It is observed that InP and GaSb have fluence dependent nanopattering e.g. nanoneedle, aligned nanodots, superimposed nanodots ripple like structures while InAs has little fluence dependent behaviour indicating materials dependent growth of features on irradiated surfaces. Moreover, surface roughness and wavelength of the features are also depending on the materials and fluences. The RMS surface roughness has been found to be increased rapidly in the early stage of irradiation followed by slower escalate rate and later tends to saturate indicating influence of the nonlinear processes.

  18. Molten salt destruction of energetic material wastes as an alternative to open burning

    Energy Technology Data Exchange (ETDEWEB)

    Upadhye, R.S.; Pruneda, C.O.; Watkins, B.E.

    1995-09-26

    The Lawrence Livermore National Laboratory in conjunction with the Energetic Materials Center ( a partnership of Lawrence Livermore and Sandia National Laboratories), is developing methods for the safe and environmentally sound destruction of explosives and propellants as a part of the Laboratory`s ancillary demilitarization mission. As a result of the end of the Cold War and the shift in emphasis to a smaller stockpile, many munitions, both conventional and nuclear, are scheduled for retirement and rapid dismantlement and demilitarization. Major components of these munitions are the explosives and propellants, or energetic materials. The Department of Energy has thousands of pounds of energetic materials which result from dismantlement operations at the Pantex Plant. The Department of Defense has several hundred million pounds of energetic materials in its demilitarization inventory, with millions more added each year. In addition, there are vast energetic materials demilitarization inventories world-wide, including those in the former Soviet Union and eastern Bloc countries. Although recycling and reusing is the preferred method of dealing with these surplus materials, there will always be the necessity of destroying intractable or unusable energetic materials. Traditionally, open bum/open detonation (OB/OD) has been the method of choice for the destruction of energetic materials. Public concerns and increasingly stringent environmental regulations have made open burning and open detonation of energetic materials increasingly costly and nearly unacceptable. Thus, the impetus to develop environmentally sound alternatives to dispose of energetic materials is great.

  19. Shock induced chemical reactions in energetic structural materials

    Science.gov (United States)

    Reding, Derek J.

    Energetic structural materials (ESMs) constitute a new class of materials that provide dual functions of strength and energetic characteristics. ESMs are typically composed of micron-scale or nano-scale intermetallic mixtures or mixtures of metals and metal oxides, polymer binders, and structural reinforcements. Voids are included to produce a composite with favorable chemical reaction characteristics. In this thesis, a continuum approach is used to simulate gas-gun or explosive loading experiments where a strong shock is induced in the ESM by an impacting plate. Algorithms are developed to obtain equations of state of mixtures. It is usually assumed that the shock loading increases the energy of the ESM and causes the ESM to reach the transition state. It is also assumed that the activation energy needed to reach the transition state is a function of the temperature of the mixture. In this thesis, it is proposed that the activation energy is a function of temperature and the stress state of the mixture. The incorporation of such an activation energy is selected in this thesis. Then, a multi-scale chemical reaction model for a heterogeneous mixture is introduced. This model incorporates reaction initiation, propagation, and extent of completed reaction in spatially heterogeneous distributions of reactants. A new model is proposed for the pore collapse of mixtures. This model is formulated by modifying the Carol, Holt, and Nesterenko spherically symmetric model to include mixtures and compressibility effects. Uncertainties in the model result from assumptions in formulating the models for continuum relationships and chemical reactions in mixtures that are distributed heterogeneously in space and in numerical integration of the resulting equations. It is important to quantify these uncertainties. In this thesis, such an uncertainty quantification is investigated by systematically identifying the physical processes that occur during shock compression of ESMs which are

  20. Prospective Symbiosis of Green Chemistry and Energetic Materials.

    Science.gov (United States)

    Kuchurov, Ilya V; Zharkov, Mikhail N; Fershtat, Leonid L; Makhova, Nina N; Zlotin, Sergey G

    2017-07-06

    A global increase in environmental pollution demands the development of new "cleaner" chemical processes. Among urgent improvements, the replacement of traditional hydrocarbon-derived toxic organic solvents with neoteric solvents less harmful for the environment is one of the most vital issues. As a result of the favorable combination of their unique properties, ionic liquids (ILs), dense gases, and supercritical fluids (SCFs) have gained considerable attention as suitable green chemistry media for the preparation and modification of important chemical compounds and materials. In particular, they have a significant potential in a specific and very important area of research associated with the manufacture and processing of high-energy materials (HEMs). These large-scale manufacturing processes, in which hazardous chemicals and extreme conditions are used, produce a huge amount of hard-to-dispose-of waste. Furthermore, they are risky to staff, and any improvements that would reduce the fire and explosion risks of the corresponding processes are highly desirable. In this Review, useful applications of almost nonflammable ILs, dense gases, and SCFs (first of all, CO2 ) for nitration and other reactions used for manufacturing HEMs are considered. Recent advances in the field of energetic (oxygen-balanced and hypergolic) ILs are summarized. Significant attention is paid to the SCF-based micronization techniques, which improve the energetic performance of HEMs through an efficient control of the morphology and particle size distribution of the HEM fine particles, and to useful applications of SCFs in HEM processing that makes them less hazardous. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Energetic salts with π-stacking and hydrogen-bonding interactions lead the way to future energetic materials.

    Science.gov (United States)

    Zhang, Jiaheng; Zhang, Qinghua; Vo, Thao T; Parrish, Damon A; Shreeve, Jean'ne M

    2015-02-04

    Among energetic materials, there are two significant challenges facing researchers: 1) to develop ionic CHNO explosives with higher densities than their parent nonionic molecules and (2) to achieve a fine balance between high detonation performance and low sensitivity. We report a surprising energetic salt, hydroxylammonium 3-dinitromethanide-1,2,4-triazolone, that exhibits exceptional properties, viz., higher density, superior detonation performance, and improved thermal, impact, and friction stabilities, then those of its precursor, 3-dinitromethyl-1,2,4-triazolone. The solid-state structure features of the new energetic salt were investigated with X-ray diffraction which showed π-stacking and hydrogen-bonding interactions that contribute to closer packing and higher density. According to the experimental results and theoretical analysis, the newly designed energetic salt also gives rise to a workable compromise in high detonation properties and desirable stabilities. These findings will enhance the future prospects for rational energetic materials design and commence a new chapter in this field.

  2. Structure and Stability of Deflagrations in Porous Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    stephen B. Margolis; Forman A. Williams

    1999-03-01

    Theoretical two-phase-flow analyses have recently been developed to describe the structure and stability of multi-phase deflagrations in porous energetic materials, in both confined and unconfined geometries. The results of these studies are reviewed, with an emphasis on the fundamental differences that emerge with respect to the two types of geometries. In particular, pressure gradients are usually negligible in unconfined systems, whereas the confined problem is generally characterized by a significant gas-phase pressure difference, or overpressure, between the burned and unburned regions. The latter leads to a strong convective influence on the burning rate arising from the pressure-driven permeation of hot gases into the solid/gas region and the consequent preheating of the unburned material. It is also shown how asymptotic models that are suitable for analyzing stability may be derived based on the largeness of an overall activation-energy parameter. From an analysis of such models, it is shown that the effects of porosity and two-phase flow are generally destabilizing, suggesting that degraded propellants, which exhibit greater porosity than their pristine counterparts, may be more readily subject to combustion instability and nonsteady deflagration.

  3. Kinetic stability and propellant performance of green energetic materials.

    Science.gov (United States)

    Rahm, Martin; Brinck, Tore

    2010-06-11

    A thorough theoretical investigation of four promising green energetic materials is presented. The kinetic stability of the dinitramide, trinitrogen dioxide, pentazole, and oxopentazole anions has been evaluated in the gas phase and in solution by using high-level ab initio and DFT calculations. Theoretical UV spectra, solid-state heats of formation, density, as well as propellant performance for the corresponding ammonium salts are reported. All calculated properties for dinitramide are in excellent agreement with experimental data. The stability of the trinitrogen dioxide anion is deemed sufficient to enable synthesis at low temperature, with a barrier for decomposition of approximately 27.5 kcal mol(-1) in solution. Oxopentazolate is expected to be approximately 1200 times more stable than pentazolate in solution, with a barrier exceeding 30 kcal mol(-1), which should enable handling at room temperature. All compounds are predicted to provide high specific impulses when combined with aluminum fuel and a polymeric binder, and rival or surpass the performance of a corresponding ammonium perchlorate based propellant. The investigated substances are also excellent monopropellant candidates. Further study and attempted synthesis of these materials is merited.

  4. Strategies for Tuning the Reactivity of NanoEnergetic Materials

    Science.gov (United States)

    Prakash, Anand

    2005-07-01

    Nanostructured fuel/oxidizer composites are being looked upon as a possible approach to enhance energy release rates. Here we report on two approaches to moderate/tune reactivity. In the first example we accelerate reactivity. The method is based on electrostatically enhanced assembly to promote the preferential arrangement of aluminum (fuel) nanoparticles with iron oxide (oxidizer) nanoparticles in the aerosol phase. Two unipolar chargers are employed to generate oppositely charged aluminum and iron oxide particles, which enhance the formation of intimately interconnected nanocomposite energetic materials. The results of burning tests and thermal analysis using differential scanning calorimetry (DSC) showed that aluminum/iron oxide nanocomposite aerosol materials synthesized by bipolar assembly had burning rates that are a factor of 10 higher than those produced by random Brownian coagulation. In a second approach we employ a very reactive oxidizer (Potassium permanganate; ˜150 nm) and create a less reactive shell (Iron oxide). The measured reactivity for a nano-Al/composite oxidizer could be varied by more than a factor of 10 as measured by the pressurization rate in a closed vessel (Psi/microsecond), by changing the coating thickness of the iron oxide. The composite oxidizer nanoparticles were synthesized by a new aerosol approach, where the non-wetting interaction between iron oxide and molten potassium permanganate aids the phase segregation of a nanocomposite droplet into a core-shell structure.

  5. Friction, impact, and electrostatic discharge sensitivities of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Wang, P.S.; Hall, G.F.

    1985-05-31

    Impact, friction, and electrostatic discharge sensitivities of energetic materials (explosives and pyrotechnics) used or manufactured at Mound were tested by the ''one-shot'' method. The Bruceton statistical method was used to derive 50% initiation levels, and the results were compared. The materials tested include: PETN, HMX, Plastic Bonded Explosives (PBX), CP, TATB, RX26BB, RX26BH, barium styphnate, LX-15, LX-16, Ti/KClO/sub 4/, TiH/sub 0.65//KClO/sub 4/, TiH/sub 1.65//KClO/sub 4/, Fe/KClO/sub 4/, TiH/sub 1.75//B/CaCrO/sub 4/, Ti/B/CaCrO/sub 4/, B/CaCrO/sub 4/, TiH/sub 0.65//2B, TiH/sub 0.65//3B, 2Ti/B, TiH/sub 1.67//2B, Ti/2B, TiH/sub 1/67//3B, Ti/B, and Ti/3B. Some samples were investigated for aging effects, physical variables, and the effect of manufacturing paramters on sensitivities. The results show that in both friction and impact tests, CP and barium styphnate are the most sensitive; TiH/sub 1.65/KClO/sub 4/, LX-15, TATB and its related materials are the least sensitive; and other materials such as PETN and HMX are in the mid-range. In the electrostatic tests of Ti-based pyrotechnics, a decrease of sensitivity with increasing hydrogen concentration was observed. 20 refs., 12 figs., 7 tabs.

  6. The reapplication of energetic materials as boiler fuels

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, S.G.; Sclippa, G.C.; Ross, J.R. [and others

    1997-02-01

    Decommissioning of weapons stockpiles, off-specification production, and upgrading of weapons systems results in a large amount of energetic materials (EM) such as rocket propellant and primary explosives that need to be recycled or disposed of each year. Presently, large quantities of EM are disposed of in a process known as open-burn/open-detonation (OB/OD), which not only wastes their energy content, but may release large quantities of hazardous material into the environment. Here the authors investigate the combustion properties of several types of EM to determine the feasibility of reapplication of these materials as boiler fuels, a process that could salvage the energy content of the EM as well as mitigate any potential adverse environmental impact. Reapplication requires pretreatment of the fuels to make them safe to handle and to feed. Double-base nitrocellulose and nitroglycerin, trinitrotoluene (TNT), nitroguanidine, and a rocket propellant binder primarily composed of polybutidiene impregnated with aluminum flakes have been burned in a 100-kW downfired flow reactor. Most of these fuels have high levels of fuel-bound nitrogen, much of it bound in the form of nitrate groups, resulting in high NO{sub x} emissions during combustion. The authors have measured fuel-bound nitrate conversion efficiencies to NO{sub x} of up to 80%, suggesting that the nitrate groups do not follow the typical path of fuel nitrogen through HCN leading to NO{sub x}, but rather form NO{sub x} directly. They show that staged combustion is effective in reducing NO{sub x} concentrations in the postcombustion gases by nearly a factor of 3. In the rocket binder, measured aluminum particle temperatures in excess of 1700{degrees}C create high levels of thermal NO{sub x}, and also generate concern that molten aluminum particles could potentially damage boiler equipment. Judicious selection of the firing method is thus required for aluminum-containing materials.

  7. On the machinability of composite materials

    Energy Technology Data Exchange (ETDEWEB)

    Caprino, G.; De Iorio, I.; Santo, L.; Nele, L. [Univ. of Naples Federico II, Naples (Italy)

    1996-12-31

    Orthogonal cutting tests were carried out on a unidirectional Carbon Fibre Reinforced Plastic (CFRP), a unidirectional Glass Fibre Reinforced Plastic (GFRP), and a Sheet Moulding Compound (SMC) R50, using high speed steel tools. The force data were interpreted in the light of the usual force scheme adopted in metal cutting, disregarding the forces developing at the tool flank. It was found that, similarly to metals, the unit cutting force depends on the depth of cut t, decreasing with increasing the latter (size effect). The same trend was followed by the coefficient of friction. A new force scheme, previously proposed for composites, together with a different definition of {open_quotes}specific energy{close_quotes}, was then applied. Irrespective of the material considered, the new model results in a coefficient of friction independent of the cutting parameters, and in a specific energy X unaffected by the depth of cut. Nevertheless, X strongly decreases with increasing the rake angle, following different trends for CFRP and GFRP. Amongst the materials tested, the poorest machinability pertains to SMC.

  8. STUDY OF THERMAL SENSITIVITY AND THERMAL EXPLOSION VIOLENCE OF ENERGETIC MATERIALS IN THE LLNL ODTX SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    HSU, P C; Hust, G; May, C; Howard, M; Chidester, S K; Springer, H K; Maienschein, J L

    2011-08-03

    Some energetic materials may explode at fairly low temperatures and the violence from thermal explosion may cause a significant damage. Thus it is important to understand the response of energetic materials to thermal insults for safe handling and storage of energetic materials. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory can measure times to explosion, lowest explosion temperatures, and determine kinetic parameters of energetic materials. Samples of different configurations can be tested in the system. The ODTX testing can also generate useful data for determining thermal explosion violence of energetic materials. We also performed detonation experiments of LX-10 in aluminum anvils to determine the detonation violence and validated the Zerilli Armstrong aluminum model. Results of the detonation experiments agreed well with the model prediction.

  9. Synthesis of New Energetic Materials and Ionic Liquids Derived from Metronidazole

    Directory of Open Access Journals (Sweden)

    Miguel A. Romero

    2016-01-01

    Full Text Available Simple and efficient synthetic procedures were established for the preparation of new energetic covalent compounds, salts, and protonated ionic liquids based on the readily available antimicrobial agent metronidazole. Some of these materials exhibit the desirable properties of energetic materials and energetic ionic liquids, such as low vapor pressure, low melting point, good chemical and thermal stability, and high energetic content. For each of the relevant compounds prepared, thermal stability was determined by differential scanning calorimetry. Some of these compounds may be considered promising precursors of pharmaceuticals such as antimicrobial, antiparasitic, antifungal, antineoplastic agents, or enzyme inhibitors.

  10. Nano-scale spinning detonation in condensed phase energetic materials

    Science.gov (United States)

    Zhakhovsky, Vasily; Budzevich, Mikalai; Landerville, Aaron; White, Carter; Oleynik, Ivan

    2013-06-01

    Single- and multi-headed spinning detonation waves are observed in molecular dynamics simulations of a condensed phase detonation of an energetic material (EM) confined in round tubes of different radii. The EM is modeled using a modified AB Reactive Empirical Bond Order potential. The thermochemistry and reactive equation of state are varied by adjusting the barrier height for the exothermic reaction AB +B --> A +BB. This allows us to study the evolution of the detonation-wave structure as a function of physico-chemical properties of the AB explosive. The detonation wave is found to exhibit a pulsating planar front in a tube of 8 nm radius, which later collapses due to the development of longitudinal perturbations. Upon increase of the tube's radius to 16 nm, the detonation wave structure is stabilized through the development of a single-headed spinning detonation. The spinning detonation displays a four-wave configuration, including incident, oblique, transverse, and contact shock waves. The contact shock generated by a contact discontinuity is observed for the first time in our MD simulations. A multi-headed turbulent-like detonation structure develops within tubes of larger radii, and exhibit features similar to those observed in gases.

  11. Synthesis and Investigation of Advanced Energetic Materials Based on Bispyrazolylmethanes.

    Science.gov (United States)

    Fischer, Dennis; Gottfried, Jennifer L; Klapötke, Thomas M; Karaghiosoff, Konstantin; Stierstorfer, Jörg; Witkowski, Tomasz G

    2016-12-23

    Herein we present the preparation and characterization of three new bispyrazolyl-based energetic compounds with great potential as explosive materials. The reaction of sodium 4-amino-3,5-dinitropyrazolate (5) with dimethyl iodide yielded bis(4-amino-3,5-dinitropyrazolyl)methane (6), which is a secondary explosive with high heat resistance (Tdec =310 °C). The oxidation of this compound afforded bis(3,4,5-trinitropyrazolyl)methane (7), which is a combined nitrogen- and oxygen-rich secondary explosive with very high theoretical and estimated experimental detonation performance (Vdet (theor)=9304 m s(-1) versus Vdet (exp)=9910 m s(-1) ) in the range of that of CL-20. Also, the thermal stability (Tdec =205 °C) and sensitivities of 7 are auspicious. The reaction of 6 with in situ generated nitrous acid yielded the primary explosive bis(4-diazo-5-nitro-3-oxopyrazolyl)methane (8), which showed superior properties to those of currently used diazodinitrophenol (DDNP). © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Shock-Induced Chemical Reactions in Structural Energetic Materials

    Science.gov (United States)

    Narayanan, V.; Lu, X.; Hanagud, S.

    2006-07-01

    Various powder mixtures like intermetallic mixtures and mixtures of metals and metal oxides have potential applications as structural energetic materials (SEMs). Technologies of varying the compositions and the powder sizes and their synthesis are being investigated to provide multiple desirable characteristics, like high strength and high energy content. In this paper, we formulate a model for SEMs for their application in shock conditions, in the framework of nonequilibrium thermodynamics and continuum mechanics. A mixture of Al and KClO4 is selected as the example for SEMs. A mixture, pore collapse and chemical reaction model are included. By adapting energy barriers for reaction as a function of temperature, particle size and pressure and introducing a relaxation mechanism in the reaction model, a shock-induced chemical reaction model is developed. The variation of the relaxation mechanism is also modeled. The initiation and propagation of chemical reactions are studied. The time and spatial dependency of chemical reaction on the shock wave conditions are investigated.

  13. Bis(nitroamino-1,2,4-triazolates): N-bridging strategy toward insensitive energetic materials.

    Science.gov (United States)

    Yin, Ping; Parrish, Damon A; Shreeve, Jean'ne M

    2014-11-17

    Modern energetic motifs for military and civilian applications are most often evaluated using various criteria, for example, energetic properties, production costs, and safety issues. Given this background, the design of energetic materials requires a deep understanding of both detonation performance and molecular stability. Here a new family of energetic bis(nitroamino-1,2,4-triazolates), which exhibit good thermal stabilities, excellent detonation properties, and low sensitivities, has been designed. Furthermore, two hydroxylammonium bis(azolates) with pyrazole and tetrazole backbones were synthesized, and they exhibit energetic properties analogous to the triazoles. This work highlights the application potential of N-bridged bis(azolates) as promising energetic materials. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Analysis of ignition of a porous energetic material

    Energy Technology Data Exchange (ETDEWEB)

    Telengator, A.M.; Williams, F.A. [Univ. of California, San Diego, La Jolla, CA (United States). Dept. of Applied Mechanics and Engineering Sciences; Margolis, S.B. [Sandia National Labs., Livermore, CA (United States). Combustion Research Facility

    1998-04-01

    A theory of ignition is presented to analyze the effect of porosity on the time to ignition of a semi-infinite porous energetic solid subjected to a constant energy flux. An asymptotic perturbation analysis, based on the smallness of the gas-to-solid density ratio and the largeness of the activation energy, is utilized to describe the inert and transition stages leading to thermal runaway. As in the classical study of a nonporous solid, the transition stage consists of three spatial regions in the limit of large activation energy: a thin reactive-diffusive layer adjacent to the exposed surface of the material where chemical effects are first felt, a somewhat thicker transient-diffusive zone, and finally an inert region where the temperature field is still governed solely by conductive heat transfer. Solutions in each region are constructed at each order with respect to the density-ratio parameter and matched to one another using asymptotic matching principles. It is found that the effects of porosity provide a leading-order reduction in the time to ignition relative to that for the nonporous problem, arising from the reduced amount of solid material that must be heated and the difference in thermal conductivities of the solid and gaseous phases. A positive correction to the leading-order ignition-delay time, however, is provided by the convective flow of gas out of the solid, which stems from the effects of thermal expansion and removes energy from the system. The latter phenomenon is absent from the corresponding calculation for the nonporous problem and produces a number of modifications at the next order in the analysis arising from the relative transport effects associated with the gas flow.

  15. Recent advances in the molten salt technology for the destruction of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Upadhye, R.S.; Watkins, B.E.; Pruneda, C.O.

    1995-11-01

    The DOE has thousands of pounds of energetic materials which result from dismantlement operations at the Pantex Plant. The authors have demonstrated the Molten Salt Destruction (MSD) Process for the treatment of explosives and explosive-containing wastes on a 1.5 kilogram of explosive per hour scale and are currently building a 5 kilogram per hour unit. MSD converts the organic constituents of the waste into non-hazardous substances such as carbon dioxide, nitrogen and water. Any inorganic constituents of the waste, such as binders and metallic particles, are retained in the molten salt. The destruction of energetic material waste is accomplished by introducing it, together with air, into a crucible containing a molten salt, in this case a eutectic mixture of Na, K, and Li carbonates. The following pure component DOE and DoD explosives have been destroyed in LLNL`s experimental unit at their High Explosives Applications Facility (HEAF): ammonium picrate, HMX, K-6, NQ, NTO, PETN, RDX, TATB, and TNT. In addition, the following formulations were also destroyed: Comp B, LX-10, LX-16, LX-17, PBX-9404, and XM46, a US Army liquid gun propellant. In this 1.5 kg/hr unit, the fractions of carbon converted to CO and of chemically bound nitrogen converted to NOx were found to be well below 1T. In addition to destroying explosive powders and molding powders the authors have also destroyed materials that are typical of real world wastes. These include shavings from machined pressed parts of plastic bonded explosives and sump waste containing both explosives and non-explosive debris. Based on the information obtained on the smaller unit, the authors have constructed a 5 kg/hr MSD unit, incorporating LLNL`s advanced chimney design. This unit is currently under shakedown tests and evaluation.

  16. Characteristics of machined surface controlled by cutting tools and conditions in machining of brittle material

    Institute of Scientific and Technical Information of China (English)

    Yong-Woo KIM; Soo-Chang CHOI; Jeung-Woo PARK; Deug-Woo LEE

    2009-01-01

    One of the ultra-precision machining methods was adapted for brittle material as well as soft material by using multi-arrayed diamond tips and high speed spindle. Conventional machining method is too hard to control surface roughness and surface texture against brittle material because the particles of grinding tools are irregular size and material can be fragile. Therefore, we were able to design tool paths and machine controlled pattern on surface by multi-arrayed diamond tips with uniform size made in MEMS fabrication and high speed spindle, and the maximum speed was about 3×105 r/min. We defined several parameters that can affect the machining surface. Those were multi-array of diamond tips (n×n), speed of air spindle and feeding rate. The surface roughness and surface texture can be controlled by those parameters for micro machining.

  17. Defect evolution and pore collapse in crystalline energetic materials

    Science.gov (United States)

    Barton, Nathan R.; Winter, Nicholas W.; Reaugh, John E.

    2009-04-01

    This work examines the use of crystal based continuum mechanics in the context of dynamic loading. In particular, we examine model forms and simulations which are relevant to pore collapse in crystalline energetic materials. Strain localization and the associated generation of heat are important for the initiation of chemical reactions in this context. The crystal mechanics based model serves as a convenient testbed for the interactions among wave motion, slip kinetics, defect generation kinetics and physical length scale. After calibration to available molecular dynamics and single crystal gas gun data for HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), the model is used to predict behaviors for the collapse of pores under various conditions. Implications for experimental observations are discussed. This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes.

  18. Preparation and characterization of energetic materials coated superfine aluminum particles

    Science.gov (United States)

    Liu, Songsong; Ye, Mingquan; Han, Aijun; Chen, Xin

    2014-01-01

    This work is devoted to protect the activity of aluminum in solid rocket propellants by means of solvent/non-solvent method in which nitrocellulose (NC) and Double-11 (shortened form of double-base gun propellant, model 11) have been used as coating materials. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were employed to characterize the morphology of coated Al particles. Other characterization data of coated and uncoated Al particles, such as infrared absorption spectrum, laser particle size analysis and the active aluminum content were also studied. The thermal behavior of pure and coated aluminum samples have also been studied by simultaneous thermogravimetry-differential thermal analysis (TG-DTA) and differential scanning calorimetry (DSC). The results indicated that: superfine aluminum particles could be effectively coated with nitrocellulose and Double-11 through a solvent/non-solvent method. The energetic composite particles have core-shell structures and the thickness of the coating film is about 20-50 nm. The active aluminum content of different coated samples was measured by means of oxidation-reduction titration method. The results showed that after being stored in room temperature and under 50% humidity condition for about 4months the active aluminum content of coated Al particles decreased from 99.8 to 95.8% (NC coating) and 99.2% (Double-11 coating) respectively. Double-11 coating layer had a much better protective effect. The TG-DTA and DSC results showed that the energy amount and energy release rate of NC coated and Double-11 coated Al particles were larger than those of the raw Al particles. Double-11 coated Al particles have more significant catalytic effect on the thermal decomposition characters of AP than that of NC coated Al particles. These features accorded with the energy release characteristics of solid propellant.

  19. Preparation and characterization of energetic materials coated superfine aluminum particles

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Songsong; Ye, Mingquan, E-mail: liusong8366@gmail.com; Han, Aijun; Chen, Xin

    2014-01-01

    This work is devoted to protect the activity of aluminum in solid rocket propellants by means of solvent/non-solvent method in which nitrocellulose (NC) and Double-11 (shortened form of double-base gun propellant, model 11) have been used as coating materials. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were employed to characterize the morphology of coated Al particles. Other characterization data of coated and uncoated Al particles, such as infrared absorption spectrum, laser particle size analysis and the active aluminum content were also studied. The thermal behavior of pure and coated aluminum samples have also been studied by simultaneous thermogravimetry–differential thermal analysis (TG–DTA) and differential scanning calorimetry (DSC). The results indicated that: superfine aluminum particles could be effectively coated with nitrocellulose and Double-11 through a solvent/non-solvent method. The energetic composite particles have core-shell structures and the thickness of the coating film is about 20–50 nm. The active aluminum content of different coated samples was measured by means of oxidation–reduction titration method. The results showed that after being stored in room temperature and under 50% humidity condition for about 4months the active aluminum content of coated Al particles decreased from 99.8 to 95.8% (NC coating) and 99.2% (Double-11 coating) respectively. Double-11 coating layer had a much better protective effect. The TG–DTA and DSC results showed that the energy amount and energy release rate of NC coated and Double-11 coated Al particles were larger than those of the raw Al particles. Double-11 coated Al particles have more significant catalytic effect on the thermal decomposition characters of AP than that of NC coated Al particles. These features accorded with the energy release characteristics of solid propellant.

  20. Liquid Nitrogen and Water Jet Milling of Energetic Material Production Wastes

    Science.gov (United States)

    1996-05-01

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP017711 TITLE: Liquid Nitrogen and Water Jet Milling of Energetic...NITROGEN AND WATER JET MILLING OF ENERGETIC MATERIAL PRODUCTION WASTES Roger L. Schneider Rho Sigma Associates, Inc. Whitefish Bay, WI 53217-5968 USA 414

  1. Probing the Dynamics of Ultra-Fast Condensed State Reactions in Energetic Materials

    Science.gov (United States)

    Piekiel, Nicholas William

    2012-01-01

    Energetic materials (EMs) are substances with a high amount of stored energy and the ability to release that energy at a rapid rate. Nanothermites and green organic energetics are two classes of EMs which have gained significant interest as they each have desirable properties over traditional explosives. These systems also possess downfalls, which…

  2. Coupled thermal/chemical/mechanical modeling of energetic materials in ALE3D

    Science.gov (United States)

    Nichols, A. L.; Couch, R.; Maltby, J. D.; McCallen, R. C.; Otero, I.

    1996-01-01

    We must improve our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. We have developed and used a time step option to efficiently and accurately compute the hours that the energetic material can take to react. Since on these longer film scales, materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show an example cook-off problem to illustrate these capabilities.

  3. Surface Analysis of Metal Materials After Water Jet Abrasive Machining

    Directory of Open Access Journals (Sweden)

    Pavel Polák

    2015-01-01

    Full Text Available In this article, we deal with a progressive production technology using the water jet cutting technology with the addition of abrasives for material removal. This technology is widely used in cutting various shapes, but also for the technology of machining such as turning, milling, drilling and cutting of threads. The aim of this article was to analyse the surface of selected types of metallic materials after abrasive machining, i.e. by assessing the impact of selected machining parameters on the surface roughness of metallic materials.

  4. Ammonia Oxide as a Building Block for High-Performance and Insensitive Energetic Materials.

    Science.gov (United States)

    Tang, Yongxing; Mitchell, Lauren A; Imler, Gregory H; Parrish, Damon A; Shreeve, Jean'ne M

    2017-05-15

    3,5-Dinitrimino-1,2,4-triazole (2) with three protons has the potential of deprotonation to form energetic salts. Neutralization of 2 with 50 % hydroxylamine in varying molar ratios leads to the formation of the corresponding mono/dihydroxylammonium energetic salts. Additionally compound 5, an ammonia oxide adduct of dihydroxylammonium 3,5-dinitramino-1,2,4-triazolate, was prepared when excess hydroxylamine was used. The structures of 3-5 are supported by single-crystal X-ray diffraction. The energetic properties of the new materials are competitive. Utilization of ammonia oxide adducts in hydroxylammonium energetic salts could lead to future practical applications as energetic materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. High Metal Removal Rate Process for Machining Difficult Materials

    Energy Technology Data Exchange (ETDEWEB)

    Bates, Robert; McConnell, Elizabeth

    2016-06-29

    Machining methods across many industries generally require multiple operations to machine and process advanced materials, features with micron precision, and complex shapes. The resulting multiple machining platforms can significantly affect manufacturing cycle time and the precision of the final parts, with a resultant increase in cost and energy consumption. Ultrafast lasers represent a transformative and disruptive technology that removes material with micron precision and in a single step manufacturing process. Such precision results from athermal ablation without modification or damage to the remaining material which is the key differentiator between ultrafast laser technologies and traditional laser technologies or mechanical processes. Athermal ablation without modification or damage to the material eliminates post-processing or multiple manufacturing steps. Combined with the appropriate technology to control the motion of the work piece, ultrafast lasers are excellent candidates to provide breakthrough machining capability for difficult-to-machine materials. At the project onset in early 2012, the project team recognized that substantial effort was necessary to improve the application of ultrafast laser and precise motion control technologies (for micromachining difficult-to-machine materials) to further the aggregate throughput and yield improvements over conventional machining methods. The project described in this report advanced these leading-edge technologies thru the development and verification of two platforms: a hybrid enhanced laser chassis and a multi-application testbed.

  6. Furazans with Azo Linkages: Stable CHNO Energetic Materials with High Densities, Highly Energetic Performance, and Low Impact and Friction Sensitivities.

    Science.gov (United States)

    Qu, Yanyang; Zeng, Qun; Wang, Jun; Ma, Qing; Li, Hongzhen; Li, Haibo; Yang, Guangcheng

    2016-08-22

    Various highly energetic azofurazan derivatives were synthesized by simple and efficient chemical routes. These nitrogen-rich materials were fully characterized by FTIR spectroscopy, elemental analysis, multinuclear NMR spectroscopy, and high-resolution mass spectrometry. Four of them were further confirmed structurally by single-crystal X-ray diffraction. These compounds exhibit high densities, ranging from 1.62 g cm(-3) up to a remarkably high 2.12 g cm(-3) for nitramine-substituted azofurazan DDAzF (2), which is the highest yet reported for an azofurazan-based CHNO energetic compound and is a consequence of the formation of strong intermolecular hydrogen-bonding networks. From the heats of formation, calculated with Gaussian 09, and the experimentally determined densities, the energetic performances (detonation pressure and velocities) of the materials were ascertained with EXPLO5 v6.02. The results suggest that azofurazan derivatives exhibit excellent detonation properties (detonation pressures of 21.8-46.1 GPa and detonation velocities of 6602-10 114 m s(-1) ) and relatively low impact and friction sensitivities (6.0-80 J and 80-360 N, respectively). In particular, they have low electrostatic spark sensitivities (0.13-1.05 J). These properties, together with their high nitrogen contents, make them potential candidates as mechanically insensitive energetic materials with high-explosive performance. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Experimental characterization of energetic material dynamics for multiphase blast simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Beresh, Steven Jay; Wagner, Justin L.; Kearney, Sean Patrick; Wright, Elton K.; Baer, Melvin R.; Pruett, Brian Owen Matthew

    2011-09-01

    Currently there is a substantial lack of data for interactions of shock waves with particle fields having volume fractions residing between the dilute and granular regimes, which creates one of the largest sources of uncertainty in the simulation of energetic material detonation. To close this gap, a novel Multiphase Shock Tube has been constructed to drive a planar shock wave into a dense gas-solid field of particles. A nearly spatially isotropic field of particles is generated in the test section by a gravity-fed method that results in a spanwise curtain of spherical 100-micron particles having a volume fraction of about 19%. Interactions with incident shock Mach numbers of 1.66, 1.92, and 2.02 were achieved. High-speed schlieren imaging simultaneous with high-frequency wall pressure measurements are used to reveal the complex wave structure associated with the interaction. Following incident shock impingement, transmitted and reflected shocks are observed, which lead to differences in particle drag across the streamwise dimension of the curtain. Shortly thereafter, the particle field begins to propagate downstream and spread. For all three Mach numbers tested, the energy and momentum fluxes in the induced flow far downstream are reduced about 30-40% by the presence of the particle field. X-Ray diagnostics have been developed to penetrate the opacity of the flow, revealing the concentrations throughout the particle field as it expands and spreads downstream with time. Furthermore, an X-Ray particle tracking velocimetry diagnostic has been demonstrated to be feasible for this flow, which can be used to follow the trajectory of tracer particles seeded into the curtain. Additional experiments on single spherical particles accelerated behind an incident shock wave have shown that elevated particle drag coefficients can be attributed to increased compressibility rather than flow unsteadiness, clarifying confusing results from the historical database of shock tube

  8. Experimental characterization of energetic material dynamics for multiphase blast simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Beresh, Steven Jay; Wagner, Justin L.; Kearney, Sean Patrick; Wright, Elton K.; Baer, Melvin R.; Pruett, Brian Owen Matthew

    2011-09-01

    Currently there is a substantial lack of data for interactions of shock waves with particle fields having volume fractions residing between the dilute and granular regimes, which creates one of the largest sources of uncertainty in the simulation of energetic material detonation. To close this gap, a novel Multiphase Shock Tube has been constructed to drive a planar shock wave into a dense gas-solid field of particles. A nearly spatially isotropic field of particles is generated in the test section by a gravity-fed method that results in a spanwise curtain of spherical 100-micron particles having a volume fraction of about 19%. Interactions with incident shock Mach numbers of 1.66, 1.92, and 2.02 were achieved. High-speed schlieren imaging simultaneous with high-frequency wall pressure measurements are used to reveal the complex wave structure associated with the interaction. Following incident shock impingement, transmitted and reflected shocks are observed, which lead to differences in particle drag across the streamwise dimension of the curtain. Shortly thereafter, the particle field begins to propagate downstream and spread. For all three Mach numbers tested, the energy and momentum fluxes in the induced flow far downstream are reduced about 30-40% by the presence of the particle field. X-Ray diagnostics have been developed to penetrate the opacity of the flow, revealing the concentrations throughout the particle field as it expands and spreads downstream with time. Furthermore, an X-Ray particle tracking velocimetry diagnostic has been demonstrated to be feasible for this flow, which can be used to follow the trajectory of tracer particles seeded into the curtain. Additional experiments on single spherical particles accelerated behind an incident shock wave have shown that elevated particle drag coefficients can be attributed to increased compressibility rather than flow unsteadiness, clarifying confusing results from the historical database of shock tube

  9. Molten salt destruction of energetic material wastes as an alternative to open burning

    Energy Technology Data Exchange (ETDEWEB)

    Upadhye, R.S.; Brummond, W.A.; Pruneda, C.O.; Watkins, B.E.

    1994-09-08

    The Lawrence Livermore National Laboratory in conjunction with the Energetic Materials Center (a partnership of Lawrence Livermore and Sandia National Laboratories), is developing methods for the safe and environmentally sound destruction of explosives and propellants as a part of the Laboratory`s ancillary demilitarization mission. As a result of the end of the Cold War and the shift in emphasis to a smaller stockpile, many munitions, both conventional and nuclear, are scheduled for retirement and rapid dismantlement and demilitarization. major components of these munitions are the explosives and propellants, or energetic materials. The Department of Energy has thousands of pounds of energetic materials which result from dismantlement operations at the Pantex Plant. The Department of Defense has several hundred million pounds of energetic materials in its demilitarization inventory, with millions more added each year.

  10. Indirect ignition of energetic materials with laser-driven flyer plates.

    Science.gov (United States)

    Dean, Steven W; De Lucia, Frank C; Gottfried, Jennifer L

    2017-01-20

    The impact of laser-driven flyer plates on energetic materials CL-20, PETN, and TATB has been investigated. Flyer plates composed of 25 μm thick Al were impacted into the energetic materials at velocities up to 1.3 km/s. The flyer plates were accelerated by means of an Nd:YAG laser pulse. The laser pulse generates rapidly expanding plasma between the flyer plate foil and the substrate to which it is adhered. As the plasma grows, a section of the metal foil is ejected at high speed, forming the flyer plate. The velocity of the flyer plate was determined using VISAR, time of flight, and high-speed video. The response of the energetic material to impact was determined by light emission recorded by an infrared-sensitive photodiode. Following post-impact analysis of the impacted energetic material, it was hypothesized that the light emitted by the material after impact is not due to the impact of the flyer itself but rather is caused by the decomposition of energetic material ejected (via the shock of flyer plate impact) into a cloud of hot products generated during the launch of the flyer plate. This hypothesis was confirmed through schlieren imaging of a flyer plate launch, clearly showing the ejection of hot gases and particles from the region surrounding the flyer plate launch and the burning of the ejected energetic material particles.

  11. Compatibility Study of DNTF with Some Insensitive Energetic Materials and Inert Materials

    Science.gov (United States)

    Li, Xi; Wang, Bo-Liang; Lin, Qiu-Han; Chen, Li-Ping

    2016-10-01

    The compatibility of 3,4-dinitrofurazanfuroxan (DNTF) with insensitive energetic materials and inert materials was studied in detail using differential scanning calorimetry (DSC). 2,4,6-Trinitrotoluene (TNT), 2,4,6-triamino-1,3,5-trinitrobenzene (TATB), 3-nitro-1,2,4-triazol-5-one (NTO), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), 2,6-diamino-3,5-dinitropyridine-1-oxide (ANPyO), and 5-amino-1H-tetrazole nitrate (5-ATEZN) are used as insensitive energetic materials, and polymer(vinyl acetate) (PVAC), hydroxyl-terminated polybutadiene (HTPB), dinoctylsebacate (DOS), 2,4-dinitrotoluene (DNT), and wax are used as inert materials. The results show that DNTF/TNT and DNTF/5-ATEZN possess good compatibility, DNTF/NTO and DNTF/TATB have moderate compatibility, and the compatibility of DNTF/LLM-105 and DNTF/PVAC is poor; in addition, DNTF/ANPyO, DNTF/HTPB, DNTF/DNT, DNTF/DOS, and DNTF/wax have bad compatibility.

  12. An Investigation of Different Material on Abrasive Water jet Machine

    Directory of Open Access Journals (Sweden)

    Vaibhav.j.limbachiya

    2011-07-01

    Full Text Available Abrasive water jet machine (AWJM is a nontraditional machining process. Abrasive water jet machining is a process of removal of material by impact erosion of high pressure (1500-4000 bar, high velocity of water and entrained high velocity of grit abrasives on a work piece. It’s a non-conventional machining process. At herefirst works on theoretical work after it make some experimental work and then analyses both results. Theoretical MRR found equal to the experimental MRR. In this paper investigation for three different materials like en8,acrylic and aluminum is carried out using Taguchi design of experiment method. Experiments are carried out using L25 Orthogonal array by varying Material traverse speed and abrasive mass flow rate for each material respectively. Anova carried out for identifies significant parameters.

  13. Stabilized super-thermite colloids: A new generation of advanced highly energetic materials

    Science.gov (United States)

    Elbasuney, Sherif; Gaber Zaky, M.; Radwan, Mostafa; Mostafa, Sherif F.

    2017-10-01

    One of the great impetus of nanotechnology on energetic materials is the achievement of nanothermites (metal-oxide/metal) which are characterized by massive heat output. Yet, full exploitation of super-thermites in highly energetic systems has not been achieved. This manuscript reports on the sustainable fabrication of colloidal Fe2O3 and CuO nanoparticles for thermite applications. TEM micrographs demonstrated mono-dispersed Fe2O3 and CuO with an average particle size of 3 and 15 nm respectively. XRD diffractograms demonstrated highly crystalline materials. SEM micrographs demonstrated a great tendency of the developed oxides to aggregate over drying process. The effective integration and dispersion of mono-dispersed colloidal thermite particles into energetic systems are vital for enhanced performance. Aluminum is of interest as highly energetic metal fuel. In this paper, synthesized Fe2O3 and CuO nanoparticles were re-dispersed in isopropyl alcohol (IPA) with aluminum nanoparticles using ultrasonic prope homogenizer. The colloidal thermite peraticles can be intgegrated into highly energetic system for subsequent nanocomposite development. Thanks to stabilization of colloidal CuO nanoparticles in IPA which could offer intimate mixing between oxidizer and metal fuel. The stabilization mechanism of CuO in IPA was correlated to steric stabilization with solvent molecules. This approach eliminated nanoparticle drying and the re-dispersion of dry aggregates into energetic materials. This manuscript shaded the light on the real development of colloidal thermite mixtures and their integration into highly energetic systems.

  14. Three-dimensional machining of insulating ceramics materials with electrical discharge machining

    Institute of Scientific and Technical Information of China (English)

    Yasushi FUKUZAWA; Naotake MOHRI; Hiromitsu GOTOH; Takayuki TANI

    2009-01-01

    The insulating ceramics were processed with sinking and wire cut electrical discharge machining(EDM). The new technology was named as the assisting electrode method. In the machining, the electrical conductive material was adhered on the surface of insulating workpiece as the starting point of electrical discharge. As the processing operated in oil, the electrical conductive product composed of decomposition carbon element from working oil adhered on the workpiece during discharge. The discharges generated continuously with the formation of the electrical conductive layer. So, the insulating ceramics turn to the machinable material by EDM. We introduced the mechanism and the application of the machining of insulating ceramics such as Si3N4 and ZrO2.

  15. Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

    Science.gov (United States)

    2013-04-01

    Kolesnikov NIST: Liu New Discoveries, Inventions, or Patent Disclosures K. O. Christe and G. Drake, “Energetic Ionic Liquids ,” US Patent 7,771,549, Aug...DTRA-TR-13-23 Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen -Based Energetic Materials for Agent Defeat Approved for...second foot foot-pound-force gallon (U.S. liquid ) inch jerk joule/kilogram (J/kg) radiation dose absorbed kilotons kip (1000 lbf) kip/inch 2

  16. Near-Resonant Thermomechanics of Energetic and Mock Energetic Composite Materials

    Science.gov (United States)

    2016-11-01

    the inelastic behavior of many materials like metals [12,13], concrete [14], soils [15], metal matrix composites [16], filled rubber [17], Asphalt...endochronic constitutive equations in 3D. The scheme has been modified to include rate-dependent (viscoplastic) effects. In addition, an efficient...histories. Strength of Materials. 1993. 25(5): p. 315–322. 14. Z. P. Bazant and P. D. Bath. Endochronic theory of inelasticity and failure of concrete

  17. Fracture mechanics applied to the machining of brittle materials

    Energy Technology Data Exchange (ETDEWEB)

    Hiatt, G.D.; Strenkowski, J.S.

    1988-12-01

    Research has begun on incorporating fracture mechanics into a model of the orthogonal cutting of brittle materials. Residual stresses are calculated for the machined material by a combination of Eulerian and Lagrangian finite element models and then used in the calculation of stress intensity factors by the Green`s Function Method.

  18. Pentazadiene: a high-nitrogen linkage in energetic materials.

    Science.gov (United States)

    Wang, Qi; Pang, Fuqing; Wang, Guilong; Huang, Jinglun; Nie, Fude; Chen, Fu-Xue

    2017-02-16

    A novel N5-linear energetic moiety of pentazadiene has been constructed for the first time from a triazene precursor. Thus, a series of 1,3,5-tri(tetrazol-5-yl)pentaza-1,4-dienes have been synthesized in moderate to high yields by treatment of 1,3-bis(tetr-azol-5-yl)triazenes with 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDCI) under mild conditions. All compounds were fully characterized using IR spectroscopy, (1)H and (13)C NMR spectroscopy, HRMS, and differential scanning calorimetry (DSC), and, in the case of 1,3,5-tri(2-methyltetrazol-5-yl)pentaza-1,4-diene (2a) together with single crystal X-ray structuring and (15)N NMR spectroscopy. Calculations predict that 2a has a heat of formation of 1699.2 kJ mol(-1).

  19. Compatibility testing of energetic materials at TNO-PML and MIAT

    NARCIS (Netherlands)

    Krabbendam-La Haye, E.L.M.; Klerk, W.P.C. de; Miszczak, M.; Szymanowski, J.

    2003-01-01

    Compatibility is an important property for energetic materials and their additives such as a casing material or a binder. If these substances are incompatible an extra risk is introduced in handling and storage of ammunition and explosives. As part of a co-operation program between the Dutch TNO-PML

  20. On the decomposition mechanisms of new imidazole-based energetic materials.

    Science.gov (United States)

    Yu, Zijun; Bernstein, Elliot R

    2013-02-28

    New imidazole-based energetic molecules (1,4-dinitroimidazole, 2,4-dinitroimidazole, 1-methyl-2,4-dinitroimidazole, and 1-methyl-2,4,5-trinitroimidazole) are studied both experimentally and theoretically. The NO molecule is observed as a main decomposition product from the above nitroimidazole energetic molecules excited at three UV wavelengths (226, 236, and 248 nm). Resolved rotational spectra related to three vibronic bands (0-0), (0-1), and (0-2) of the NO (A (2)Σ(+) ← X (2)Π) electronic transition have been obtained. A unique excitation wavelength independent dissociation channel is characterized for these four nitroimidazole energetic molecules: this pathway generates the NO product with a rotationally cold (10-60 K) and vibrationally hot (1300-1600 K) internal energy distribution. The predicted reaction mechanism for the nitroimidazole energetic molecule decomposition subsequent to electronic excitation is the following: electronically excited nitroimidazole energetic molecules descend to their ground electronic states through a series of conical intersections, dissociate on their ground electronic states subsequent to a nitro-nitrite isomerization, and produce NO molecules. Different from PETN, HMX, and RDX, the thermal dissociation process (ground electronic state decomposition from the Franck-Condon equilibrium point) of multinitroimidazoles is predicted to be a competition between NO(2) elimination and nitro-nitrite isomerization followed by NO elimination for all multinitroimidazoles except 1,4-dinitroimidazole. In this latter instance, N-NO(2) homolysisis becomes the dominant decomposition channel on the ground electronic state, as found for HMX and RDX. Comparison of the stability of nitro-containing energetic materials with R-NO(2) (R = C, N, O) moieties is also discussed. Energetic materials with C-NO(2) are usually more thermally stable and impact/shock insensitive than are other energetic materials with N-NO(2) and O-NO(2) moieties. The

  1. Diamond tool machining of materials which react with diamond

    Science.gov (United States)

    Lundin, Ralph L.; Stewart, Delbert D.; Evans, Christopher J.

    1992-01-01

    Apparatus for the diamond machining of materials which detrimentally react with diamond cutting tools in which the cutting tool and the workpiece are chilled to very low temperatures. This chilling halts or retards the chemical reaction between the workpiece and the diamond cutting tool so that wear rates of the diamond tool on previously detrimental materials are comparable with the diamond turning of materials which do not react with diamond.

  2. Azole energetic materials: initial mechanisms for the energy release from electronical excited nitropyrazoles.

    Science.gov (United States)

    Yuan, Bing; Yu, Zijun; Bernstein, Elliot R

    2014-01-21

    Decomposition of energetic material 3,4-dinitropyrazole (DNP) and two model molecules 4-nitropyrazole and 1-nitropyrazole is investigated both theoretically and experimentally. The initial decomposition mechanisms for these three nitropyrazoles are explored with complete active space self-consistent field (CASSCF) level. The NO molecule is observed as an initial decomposition product from all three materials subsequent to UV excitation. Observed NO products are rotationally cold (energetic material DNP, NO is produced on the ground state surface, as the S1 decomposition pathway is energetically unavailable. The theoretically predicted mechanism is consistent with the experimental results, as DNP decomposes in a lower electronic state than do the model systems and thus the vibrational energy in the NO product from DNP should be hotter than from the model systems. The observed rotational energy distributions for NO are consistent with the final structures of the respective transition states for each molecule.

  3. Computational Nanotechnology Molecular Electronics, Materials and Machines

    Science.gov (United States)

    Srivastava, Deepak; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    This presentation covers research being performed on computational nanotechnology, carbon nanotubes and fullerenes at the NASA Ames Research Center. Topics cover include: nanomechanics of nanomaterials, nanotubes and composite materials, molecular electronics with nanotube junctions, kinky chemistry, and nanotechnology for solid-state quantum computers using fullerenes.

  4. Hierarchical machining materials and their performance

    DEFF Research Database (Denmark)

    Sidorenko, Daria; Loginov, Pavel; Levashov, Evgeny

    2016-01-01

    as nanoparticles in the binder, or polycrystalline, aggregate-like reinforcements, also at several scale levels). Such materials can ensure better productivity, efficiency, and lower costs of drilling, cutting, grinding, and other technological processes. This article reviews the main groups of hierarchical...

  5. Combustion aspects of the reapplication of energetic materials as fuels as a viable demil technology

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, L.; Davis, K.; Sinquefield, S.; Huey, S.; Lipkin, J.; Shah, D.; Ross, J.; Sclippa, G. [Sandia National Labs., Livermore, CA (United States). Combustion Research Facility

    1996-05-01

    This investigation addresses the combustion-related aspects of the reapplication of energetic materials as fuels in boilers as an economically viable and environmentally acceptable use of excess energetic materials. The economics of this approach indicate that the revenues from power generation and chemical recovery approximately equal the costs of boiler modification and changes in operation. The primary tradeoff is the cost of desensitizing the fuels against the cost of open burn/open detonation (OB/OD) or other disposal techniques. Two principal combustion-related obstacles to the use of energetic-material-derived fuels are NO{sub x} generation and the behavior of metals. NO{sub x} measurements obtained in this investigation indicate that the nitrated components (nitrocellulose, nitroglycerin, etc.) of energetic materials decompose with NO{sub x} as the primary product. This can lead to high uncontrolled NO{sub x} levels (as high as 2,600 ppm on a 3% O{sub 2} basis for a 5% blend of energetic material in the fuel). NO{sub x} levels are sensitive to local stoichiometry and temperature. The observed trends resemble those common during the combustion of other nitrogen-containing fuels. Implications for NO{sub x} control strategies are discussed. The behavior of inorganic components in energetic materials tested in this investigation could lead to boiler maintenance problems such as deposition, grate failure, and bed agglomeration. The root cause of the problem is the potentially extreme temperature generated during metal combustion. Implications for furnace selection and operation are discussed.

  6. Theoretical Studies of Small-System Thermodynamics in Energetic Materials

    Science.gov (United States)

    2016-01-06

    3D hard - sphere and Lennard-Jones fluids for which the surroundings are modelled as reflecting hard walls that confine the system along one direction...Molecular Materials under Static and Dynamic Compression " 2013 Fall ACS COMP Symposium: "Chemical Mechanisms in Advanced Materials" in the Materials...Jiang: 19th Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SCCM-2015) Tampa, Florida, 2015; “Molecular

  7. An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials.

    Science.gov (United States)

    Hoss, Darby J; Knepper, Robert; Hotchkiss, Peter J; Tappan, Alexander S; Boudouris, Bryan W; Beaudoin, Stephen P

    2016-07-01

    Cohesive Hamaker constants of solid materials are measured via optical and dielectric properties (i.e., Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. To date, however, a comparison across these measurement techniques for common energetic materials has not been reported. This has been due to the inability of the community to produce samples of energetic materials that are readily compatible with contact angle measurements. Here we overcome this limitation by using physical vapor deposition to produce thin films of five common energetic materials, and the contact angle measurement approach is applied to estimate the cohesive Hamaker constants and surface energy components of the materials. The cohesive Hamaker constants range from 85zJ to 135zJ across the different films. When these Hamaker constants are compared to prior work using Lifshitz theory and nonpolar probe IGC, the relative magnitudes can be ordered as follows: contact angle>Lifshitz>IGC. Furthermore, the dispersive surface energy components estimated here are in good agreement with those estimated by IGC. Due to these results, researchers and technologists will now have access to a comprehensive database of adhesion constants which describe the behavior of these energetic materials over a range of settings. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Computational studies on energetic properties of nitrogen-rich energetic materials with ditetrazoles

    Indian Academy of Sciences (India)

    Li Xiao-Hong; Zhang Rui-Zhou

    2014-11-01

    Based on the full optimized molecular geometric structures at B3LYP/6-311++G**level, the densities (), heats of formation (HOFs), detonation velocities (D) and pressures (P) for a series of ditetrazoles derivatives, were investigated to look for high energy density materials (HEDMs). The results show that the influence of different substituted groups on HOFs has the order of -N3>-CN>-NH2>-NO2>-NF2>-ONO2>-H>-CH3>-CF3. The introduction of -CF3 groups is more favourable for increasing the density and the introduction of -CH3 groups is not favourable for increasing the density. In addition, all the series combined with -NF2 group except B-NF2 all have higher densities, larger D and P. F-NF2 may be regarded as the potential candidates of HEDMs because of the largest detonation velocity and pressure among these derivatives.The energy gaps between the HOMO and LUMO of the studied compounds are also investigated.

  9. Computational studies on 1,2,4-Triazolium-based salts as energetic materials

    Indian Academy of Sciences (India)

    Rakhi Singh; Hari Ji Singh; S K Sengupta

    2015-06-01

    The results of the computational studies performed on 1,2,4-triazolium cation-based salts designed by pairing it with energetic nitro-substituted 5- membered N-heterocyclic anions such as 5-nitrotetrazolate, 3,5-dinitrotriazolate, and 2,4,5 trinitroimidazolate are reported. Condensed phase heats of formation of the designed ionic salts and their thermodynamic and energetic properties have also been calculated. The results show that these salts are potential energetic materials and possess high positive heats of formation. The detonation velocity, D, and detonation pressure, P, have been calculated using the Kamlet-Jacobs equation and found to be 7–8 km/s and 25–29 GPa, respectively. These values fall in the range of the criteria to designate them as high-energy-density materials. Nucleus independent chemical shift (NICS) studies performed on the designed molecules show that these salts are stable in nature.

  10. Hydrogen Transfer in Energetic Materials from ReaxFF and DFT Calculations.

    Science.gov (United States)

    Sergeev, Oleg V; Yanilkin, Alexey V

    2017-04-27

    Energetic materials are characterized by fast and complex chemical reactions. It makes them hardly available for kinetic experiments in relevant conditions and a good target for reactive molecular dynamics simulations. In this work, unimolecular and condensed-phase thermal decomposition of pentaerythritol tetranitrate (PETN) are investigated by ReaxFF molecular dynamics. It is shown that the decomposition kinetics in condensed phase may be described with the activation barrier lower by a factor of 2 than that for isolated molecules. The effect of the intermolecular hydrogen transfer is revealed in condensed phase. Energetic barriers for hydrogen transfer in two energetic materials (methyl nitrate, which is a nitroester as well as PETN, and o-nitrotoluene) are studied with ReaxFF and DFT using nudged elastic band technique. The results indicate that ReaxFF gives significantly lower activation energy for intermolecular hydrogen transfer in nitroesters than different DFT approximations, which explains the molecular dynamics results for PETN.

  11. Thermal Energetic Reactor with High Reproduction of Fission Materials

    Directory of Open Access Journals (Sweden)

    Vladimir M. Kotov

    2012-01-01

    On the base of thermal reactors with high fission materials reproduction world atomic power engineering development supplying higher power and requiring smaller speed of raw uranium mining, than in the variant with fast reactors, is possible.

  12. Studies on compatibility of energetic materials by thermal methods

    Directory of Open Access Journals (Sweden)

    Maria Alice Carvalho Mazzeu

    2010-04-01

    Full Text Available The chemical compatibility of explosives, pyrotechnics and propellants with those materials is studied to evaluate potential hazards when in contact with other materials during production, storage and handling. Compatibility can be studied by several thermal methods as DSC (differential scanning calorimetry, TG (Thermogravimetry, VST (Vacuum stability test and others. The test methods and well defined criteria are the most important elements when a compatibility study is being accomplished. In this paper, the compatibility of two very important high explosives used in ammunition, RDX (Cyclo-1,3,5-trimethylene-2,4,6-trinitramine and HMX (Cyclotetramethylene tetranitramine was studied with the materials: fluoroelastomer (Viton and powdered aluminum (Al, using DSC and VST methods. The criteria to judge the compatibility between materials is based on a standardization agreement (STANAG 4147, 2001, and the final conclusion is that explosives and this materials are compatible, but in DSC it was observed that the peak of decomposition temperature of the admixture of RDX with Al decreased in 3º C and another peak appeared after the decomposition peak.

  13. Energetic optimization of a piezo-based touch-operated button for man–machine interfaces

    NARCIS (Netherlands)

    Sun, Hao; Vries, de Theo J.A.; Vries, de Rene; Dalen, van Harry

    2012-01-01

    This paper discusses the optimization of a touch-operated button for man–machine interfaces based on piezoelectric energy harvesting techniques. In the mechanical button, a common piezoelectric diaphragm, is assembled to harvest the ambient energy from the source, i.e. the operator’s touch. Under to

  14. Energetic optimization of a piezo-based touch-operated button for man–machine interfaces

    NARCIS (Netherlands)

    de Vries, Theodorus J.A.; Sun, H.; de Vries, T.J.A.; de Vries, Rene; van Dalen, Harry

    2012-01-01

    This paper discusses the optimization of a touch-operated button for man–machine interfaces based on piezoelectric energy harvesting techniques. In the mechanical button, a common piezoelectric diaphragm, is assembled to harvest the ambient energy from the source, i.e. the operator’s touch. Under

  15. Encapsulation of energetic materials by cooling and electrospray crystallization

    NARCIS (Netherlands)

    Reus, M.A.; Horst, J.H. ter; Stankiewicz, A.I.; Heijden, A.E.D.M. van der

    2012-01-01

    In this work cooling and electrospray crystallization have been used to create encapsulated (sub-)micron sized particles of different crystalline materials. Encapsulation experiments have been conducted, creating the core particle in situ from solution, with the model systems isonicotinamide (INA) –

  16. Encapsulation of energetic materials by cooling and electrospray crystallization

    NARCIS (Netherlands)

    Reus, M.A.; Horst, J.H. ter; Stankiewicz, A.I.; Heijden, A.E.D.M. van der

    2012-01-01

    In this work cooling and electrospray crystallization have been used to create encapsulated (sub-)micron sized particles of different crystalline materials. Encapsulation experiments have been conducted, creating the core particle in situ from solution, with the model systems isonicotinamide (INA) –

  17. Chemical conversion of energetic materials to higher value products

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A.R.; Sanner, R.D.; Pagoria, P.F.

    1996-05-01

    The objective of this program is to develop novel, innovative solutions for the disposal of surplus explosives resulting from the demilitarization of nuclear and conventional munitions. Studies related to the conversion of TNT and Explosive D to potentially useful materials are described.

  18. Self-Channeling of Femtosecond Laser Pulses for Rapid and Efficient Standoff Detection of Energetic Materials

    Science.gov (United States)

    2009-01-01

    Laser Pulses for Rapid and Efficient Standoff Detection of Energetic Materials Matthieu Baudelet, Martin Richardson, Townes laser Institute, CREOL...2007 [3] D.A. Cremers and L.J. Radziemski, Handbook of laser-induced breakdown spectroscopy, Wiley, 2006 [4] A.W. Miziolek, V. Palleschi and I

  19. High-Energy-Density LCA-Coupled Structural Energetic Materials for Counter WMD Applications

    Science.gov (United States)

    2014-04-01

    morphology , etc.) of reactants. In the case of the equivolumetric Ta+Fe2O3 powder mixtures, pre-densification results in generating Fe2O3 as the more...published in the following papers. • N.N. Thadhani and J.K. Cochran, "Energetic Materials", DTRA Basic and Applied Research Program Newsletter , V2, N3, p

  20. Growth and energetics in Spisula subtruncata (Da Costa) and the effect of suspended bottom material

    DEFF Research Database (Denmark)

    Møhlenberg, F.; Kiørboe, Thomas

    1981-01-01

    The influence of suspended bottom material (0-25 mg/l) and algal cells (Phaeodactylum tricornutum) (0-500 .mu.g dry org wt[organic weight]/l) on clearance, growth and energetics in S. subtruncata (da Costa) was studied. Clearance and respiration rate were independent of concentrations of algae...

  1. Spallation products induced by energetic neutrons in plastic detector material

    CERN Document Server

    Grabisch, K; Enge, W; Scherzer, R

    1977-01-01

    Cellulose nitrate plastic detector sheets were irradiated with secondary neutrons of the 22 GeV/c proton beam at the CERN accelerator. He, Li and Be particles which are produced in nuclear interactions of the neutrons with the target elements C, N and O of the plastic detector material are measured. Preliminary angle and range distributions and isotropic abundances of the secondary particles are discussed. (6 refs).

  2. Numerically Simulated Impact of Gas Prandtl Number and Flow Model on Efficiency of the Machine-less Energetic Separation Device

    Directory of Open Access Journals (Sweden)

    K. S. Egorov

    2015-01-01

    Full Text Available The presented paper regards the influence of one of similarity criteria – the Prandtl number of gas (Pr - on the efficiency of the machine-less energetic separation device (Leontiev pipe, using numerical modeling in ANSYS software. This device, equally as Rank-Hilsch and Hartman-Schprenger pipes, is designed to separate one gas flow into two flows with different temperatures. One flow (supersonic streams out of the pipe with a temperature higher than initial and the other (subsonic flows out with a temperature lower than initial. This direction of energetic separation is true if the Prandtl number is less than 1 that corresponds to gases.The Prandtl number affects the efficiency of running Leontiev pipe indirectly both through a temperature difference on which a temperature recovery factor has an impact and through a thermal conductivity coefficient that shows the impact of heat transfer intensity between gas and solid wall.The Prandtl number range in the course of research was from 0.1 to 0.7. The Prandtl number value equal to 0.7 corresponds to the air or pure gases (for example, inert argon gas. The Prandtl number equal to 0.2 corresponds to the mixtures of inert gases such as helium-xenon.The numerical modeling completed for the supersonic flow with Mach number 2.0 shows that efficiency of the machine-less energetic separation device has been increased approximately 2 times with the Prandtl number decreasing from 0.7 to 0.2. Moreover, for the counter-flow scheme this effect is a little higher due to its larger heat efficiency in comparison with the straight-flow one.Also, the research shows that the main problem for the further increase of the Leontiev pipe efficiency is a small value of thermal conductivity coefficient, which requires an intensification of the heat exchange, especially in the supersonic flow. It can be obtained, for example, by using a system of oblique shock waves in the supersonic channel.

  3. DMSO/base hydrolysis method for the disposal of high explosives and related energetic materials

    Science.gov (United States)

    Desmare, Gabriel W.; Cates, Dillard M.

    2002-05-14

    High explosives and related energetic materials are treated via a DMSO/base hydrolysis method which renders them non-explosive and/or non-energetic. For example, high explosives such as 1,3,5,7-tetraaza-1,3,5,7-tetranitrocyclooctane (HMX), 1,3,5-triaza-1,3,5-trinitrocyclohexane (RDX), 2,4,6-trinitrotoluene (TNT), or mixtures thereof, may be dissolved in a polar, aprotic solvent and subsequently hydrolyzed by adding the explosive-containing solution to concentrated aqueous base. Major hydrolysis products typically include nitrite, formate, and nitrous oxide.

  4. N-Nitrosarcosine: An Economic Precursor for the Synthesis of New Energetic Materials.

    Science.gov (United States)

    Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina

    2016-11-07

    New energetic compounds have been synthesized starting from the readily available N-(cyanomethyl)-N-methylamine. From this, N-nitrosarcosine was prepared in few steps, which serves as a starting material for the synthesis of oxygen-rich compounds. The compounds were thoroughly characterized including multinuclear NMR and vibrational spectroscopy and also molecular structures by single X-ray diffraction were obtained. Their energetic properties were determined including the sensitivities towards impact and friction, their heat of formations were calculated and the detonation and combustion parameters were predicted using EXPLO5 V6.02. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Method for producing fabrication material for constructing micrometer-scaled machines, fabrication material for micrometer-scaled machines

    Energy Technology Data Exchange (ETDEWEB)

    Stevens, F.J.

    1995-12-31

    A method for producing fabrication material for use in the construction of nanometer-scaled machines is provided whereby similar protein molecules are isolated and manipulated at predetermined residue positions so as to facilitate noncovalent interaction, but without compromising the folding configuration or native structure of the original protein biomodules. A fabrication material is also provided consisting of biomodules systematically constructed and arranged at specific solution parameters.

  6. Energetic N-Nitramino/N-Oxyl-Functionalized Pyrazoles with Versatile π-π Stacking: Structure-Property Relationships of High-Performance Energetic Materials.

    Science.gov (United States)

    Yin, Ping; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-11-07

    N-Nitramino/N-oxyl functionalization strategies were employed to investigate structure-property relationships of energetic materials. Based on single-crystal diffraction data, π-π stacking of pyrazole backbones can be tailored effectively by energetic functionalities, thereby resulting in diversified energetic compounds. Among them, hydroxylammonium 4-amino-3,5-dinitro-1H-pyrazol-1-olate and dipotassium N,N'-(3,5-dinitro-1H-pyrazol-1,4-diyl)dinitramidate, with unique face-to-face π-π stacking, can be potentially used as a high-performance explosive and an energetic oxidizer, respectively. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Millisecond laser machining of transparent materials assisted by nanosecond laser.

    Science.gov (United States)

    Pan, Yunxiang; Zhang, Hongchao; Chen, Jun; Han, Bing; Shen, Zhonghua; Lu, Jian; Ni, Xiaowu

    2015-01-26

    A new form of double pulse composed of a nanosecond laser and a millisecond laser is proposed for laser machining transparent materials. To evaluate its advantages and disadvantages, experimental investigations are carried out and the corresponding results are compared with those of single millisecond laser. The mechanism is discussed from two aspects: material defects and effects of modifications induced by nanosecond laser on thermal stress field during millisecond laser irradiation. It is shown that the modifications of the sample generated by nanosecond laser improves the processing efficiency of subsequent millisecond laser, while limits the eventual size of modified region.

  8. Development of numerical framework to study microstructural effects on shock initiation in heterogeneous energetic materials

    Science.gov (United States)

    Schmidt, Martin; Rai, Nirmal; Udaykumar, H. S.

    2015-06-01

    Heterogeneous energetic materials like plastic bonded explosives (PBX) have very detailed and non-uniform microstructure. The heterogeneity is mainly because of presence of HMX crystals embedded in a polymer binder matrix. Also, manufacturing defects often creates pores and cracks in the material. Shock interaction with these heterogeneities leads to local heated regions known as hot spots. It is widely accepted that these hot spots are predominantly the cause of triggering reaction and eventually ignition in these energetic materials. There are various physical phenomenon through which hot spot can be created such as pore collapse, inter-granular friction in HMX crystals, shock heating of HMX crystals and binder etc. Hence, microstructural heterogeneity can play a vital role for shock initiation in PBX. In the current work, a general framework has been established for performing mesoscale simulations on heterogeneous energetic material. In order to get an accurate representation of the microstructure, image processing algorithms have been employed on XCMT images of PBX microstructure. The image processing framework has been built up with massively parallel Eulerian code, SCIMITAR3D. Shock simulation on PBX microstructures has been performed and the effect of microstructure geometry has been studied for different shock strengths case. The simulation results have been shown to resolve hot spots created due to various heterogeneities present in the microstructure.

  9. Computational survey of representative energetic materials as propellants for microthruster applications

    Science.gov (United States)

    Fuchs, Brian; Stec, Daniel, III

    2007-04-01

    Microthrusters are critical for the development of terrestrial micromissiles and nano air vehicles for reconnaissance, surveillance, and sensor emplacement. With the maturation of MEMS manufacturing technology, the physical components of the thrusters can be readily fabricated. The thruster type that is the most straightforward is chemical combustion of a propellant that is ignited by a heating element giving a single shot thrust. Arrays of MEMS manufactured thrusters can be ganged to give multiple firings. The basic model for such a system is a solid rocket motor. The desired elements for the propellant of a chemical thruster are high specific impulse (I sp), high temperature and pressure, and low molecular weight combustion gases. Since the combustion chamber of a microthruster is extremely small, the propellant material must be able to ignite, sustain and complete its burn inside the chamber. The propellant can be either a solid or a liquid. There are a large number of energetic materials available as candidates for a propellant for microthrusters. There has been no systematic evaluation of the available energetic materials as propellant candidates for microthrusters. This report summarizes computations done on a series of energetic materials to address their suitabilities as microthruster propellants.

  10. Machine-learning-assisted materials discovery using failed experiments

    Science.gov (United States)

    Raccuglia, Paul; Elbert, Katherine C.; Adler, Philip D. F.; Falk, Casey; Wenny, Malia B.; Mollo, Aurelio; Zeller, Matthias; Friedler, Sorelle A.; Schrier, Joshua; Norquist, Alexander J.

    2016-05-01

    Inorganic-organic hybrid materials such as organically templated metal oxides, metal-organic frameworks (MOFs) and organohalide perovskites have been studied for decades, and hydrothermal and (non-aqueous) solvothermal syntheses have produced thousands of new materials that collectively contain nearly all the metals in the periodic table. Nevertheless, the formation of these compounds is not fully understood, and development of new compounds relies primarily on exploratory syntheses. Simulation- and data-driven approaches (promoted by efforts such as the Materials Genome Initiative) provide an alternative to experimental trial-and-error. Three major strategies are: simulation-based predictions of physical properties (for example, charge mobility, photovoltaic properties, gas adsorption capacity or lithium-ion intercalation) to identify promising target candidates for synthetic efforts; determination of the structure-property relationship from large bodies of experimental data, enabled by integration with high-throughput synthesis and measurement tools; and clustering on the basis of similar crystallographic structure (for example, zeolite structure classification or gas adsorption properties). Here we demonstrate an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites. We used information on ‘dark’ reactions—failed or unsuccessful hydrothermal syntheses—collected from archived laboratory notebooks from our laboratory, and added physicochemical property descriptions to the raw notebook information using cheminformatics techniques. We used the resulting data to train a machine-learning model to predict reaction success. When carrying out hydrothermal synthesis experiments using previously untested, commercially available organic building blocks, our machine-learning model outperformed traditional human strategies, and successfully predicted

  11. Machine-learning-assisted materials discovery using failed experiments.

    Science.gov (United States)

    Raccuglia, Paul; Elbert, Katherine C; Adler, Philip D F; Falk, Casey; Wenny, Malia B; Mollo, Aurelio; Zeller, Matthias; Friedler, Sorelle A; Schrier, Joshua; Norquist, Alexander J

    2016-05-05

    Inorganic-organic hybrid materials such as organically templated metal oxides, metal-organic frameworks (MOFs) and organohalide perovskites have been studied for decades, and hydrothermal and (non-aqueous) solvothermal syntheses have produced thousands of new materials that collectively contain nearly all the metals in the periodic table. Nevertheless, the formation of these compounds is not fully understood, and development of new compounds relies primarily on exploratory syntheses. Simulation- and data-driven approaches (promoted by efforts such as the Materials Genome Initiative) provide an alternative to experimental trial-and-error. Three major strategies are: simulation-based predictions of physical properties (for example, charge mobility, photovoltaic properties, gas adsorption capacity or lithium-ion intercalation) to identify promising target candidates for synthetic efforts; determination of the structure-property relationship from large bodies of experimental data, enabled by integration with high-throughput synthesis and measurement tools; and clustering on the basis of similar crystallographic structure (for example, zeolite structure classification or gas adsorption properties). Here we demonstrate an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites. We used information on 'dark' reactions--failed or unsuccessful hydrothermal syntheses--collected from archived laboratory notebooks from our laboratory, and added physicochemical property descriptions to the raw notebook information using cheminformatics techniques. We used the resulting data to train a machine-learning model to predict reaction success. When carrying out hydrothermal synthesis experiments using previously untested, commercially available organic building blocks, our machine-learning model outperformed traditional human strategies, and successfully predicted conditions

  12. Emissions from energetic material waste during the Molten Salt Destruction process

    Energy Technology Data Exchange (ETDEWEB)

    Watkins, B.E.; Upadhye, R.S.; Pruneda, C.O.; Brummond, W.A.

    1994-07-05

    The Molten Salt Destruction (MSD) process is an alternative to open burn/open detonation for destroying energetic materials; MSD has inherently low gaseous emissions, and the salt bath can scrub both acidic gases and particulates. It was demonstrated that high explosives and a liquid propellant can be safely and completely destroyed using MSD. Gaseous emissions of NOx and CO are very low. Nitrate builds up in the salt bath when nitrate-rich materials are destroyed, but addition fuel reduces the nitrate to NO. A program has been begun to add catalytic materials to the bed to further reduce emissions; a small molten salt bath has been constructed for chemical kinetic studies.

  13. Unreacted equation of states of typical energetic materials under static compression: A review

    Science.gov (United States)

    Zhaoyang, Zheng; Jijun, Zhao

    2016-07-01

    The unreacted equation of state (EOS) of energetic materials is an important thermodynamic relationship to characterize their high pressure behaviors and has practical importance. The previous experimental and theoretical works on the equation of state of several energetic materials including nitromethane, 1,3,5-trinitrohexahydro-1,3,5-triazine (RDX), 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX), hexanitrostilbene (HNS), hexanitrohexaazaisowurtzitane (HNIW or CL-20), pentaerythritol tetranitrate (PETN), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), triamino-trinitrobenzene (TATB), 1,1-diamino-2,2-dinitroethene (DADNE or FOX-7), and trinitrotoluene (TNT) are reviewed in this paper. The EOS determined from hydrostatic and non-hydrostatic compressions are discussed and compared. The theoretical results based on ab initio calculations are summarized and compared with the experimental data. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174045 and 11404050).

  14. Potential space debris shield structure using impact-initiated energetic materials composed of polytetrafluoroethylene and aluminum

    Science.gov (United States)

    Wu, Qiang; Zhang, Qingming; Long, Renrong; Zhang, Kai; Guo, Jun

    2016-03-01

    A whipple shield using Al/PTFE (polytetrafluoroethylene) energetic material to protect against space debris is presented. The hypervelocity impact characteristics were investigated experimentally using a two-stage light gas gun at velocities between 3 and 6 km/s. A good protection of the shield was obtained through comparative experiments which used the same bumper areal density. The results showed that the critical projectile diameter can be improved by 28% by contrast with the Christiansen ballistic limit equations. The Al/PTFE energetic material bumper can break up the projectile into smaller, less massive, and slower projectiles due to the combined effect of impact and explosion, thereby producing a sharp rise in the spacecraft protection ability.

  15. Damaging impacts of energetic charge particles on materials in plasma energy explosive events

    Institute of Scientific and Technical Information of China (English)

    Deng Bai-Quan; Peng Li-Lin; Yan Jian-Cheng; Luo Zheng-Ming; Chen Zhi

    2006-01-01

    To provide some reference data for estimation of the erosion rates and lifetimes of some candidate plasma facing component (PF3 materials in the plasma stored energy explosive events (PSEEE), this paper calculates the sputtering yields of Mo, W and deuterium saturated Li surface bombarded by energetic charged particles by a new sputtering physics description method based on bipartition model of charge particle transport theory. The comparisons with Monte Carlo data of TRIM code and experimental results are made. The dependences of maximum energy deposition,particle and energy reflection coefficients on the incident energy of energetic runaway electrons impinging on the different material surfaces are also calculated. Results may be useful for estimating the lifetime of PFC and analysing the impurity contamination extent, especially in the PSEEE for high power density and with high plasma current fusion reactor.

  16. Structural and vibrational properties of nitrogen-rich energetic material guanidinium 2-methyl-5-nitraminotetrazolate

    OpenAIRE

    Babu, K Ramesh; Vaitheeswaran, G.

    2014-01-01

    We present density functional theory calculations on the crystal structure, equation of state, vibrational properties and electronic structure of nitrogen-rich solid energetic material guanidinium 2-methyl-5-nitraminotetrazolate (G-MNAT). The ground state structural properties calculated with dispersion corrected density functionals are in good agreement with experiment. The computed equilibrium crystal structure is further used to calculate the equation of state and zone-center vibrational f...

  17. Explosive Chemistry: Simulating the Chemistry of Energetic Materials at Extreme Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Reed, E J; Manaa, M R; Fried, L E

    2003-11-18

    In the brief instant of a high-explosive detonation, the shock wave produces a pressure 500,000 times that of the Earth's atmosphere, the detonation wave travels as fast as 10 kilometers per second, and internal temperatures soar up to 5,500 Kelvin. As the shock propagates through the energetic material, the rapid heating coupled with compression that results in almost 30% volume reduction, initiate complex chemical reactions. A dense, highly reactive supercritical fluid is established behind the propagating detonation front. Energy release from the exothermic chemical reactions serve in turn to drive and sustain the detonation process until complete reactivity is reached. Several experimental results suggest the existence of strong correlations between the applied mechanical stress and shocks, the local heterogeneity and defects (dislocations, vacancies, cracks, impurities, etc.), and the onset of chemical reactions. The reaction chemistry of energetic materials at high pressure and temperature is, therefore, of considerable importance in understanding processes that these materials experience under impact and detonation conditions. Chemical decomposition models are critical ingredients in order to predict, among other things, the measured times to explosion and the conditions for ignition of hot spots, localized regions of highly concentrated energy associated with defects. To date, chemical kinetic rates of condense-phase energetic materials at detonation conditions are virtually non-existent, and basic questions such as: (a) which bond in a given energetic molecule breaks first, and (b) what type of chemical reactions (unimolecular versus bimolecular, etc.) that dominate early in the decomposition process, are still largely unknown.

  18. Microscale electromagnetic heating in heterogeneous energetic materials based on X-ray CT imaging

    CERN Document Server

    Kort-Kamp, W J M; Ionita, A; Glover, B B; Duque, A L Higginbotham; Perry, W L; Patterson, B M; Dalvit, D A R; Moore, D S

    2015-01-01

    Electromagnetic stimulation of energetic materials provides a noninvasive and nondestructive tool for detecting and identifying explosives. We combine structural information based on X-ray computed tomography, experimental dielectric data, and electromagnetic full-wave simulations, to study microscale electromagnetic heating of realistic three-dimensional heterogeneous explosives. We analyze the formation of electromagnetic hot spots and thermal gradients in the explosive-binder meso-structures, and compare the heating rate for various binder systems.

  19. Isotope abundances of solar coronal material derived from solar energetic particle measurements

    Science.gov (United States)

    Mewaldt, R. A.; Stone, E. C.

    1989-01-01

    Coronal isotopic abundances for the elements He, C, N, O, Ne, and Mg are derived from previously published measurements of the isotopic composition of solar energetic particles by first measuring, and then correcting for, the charge-to-mass-dependent fractionation due to solar flare acceleration and propagation processes. The resulting coronal composition generally agrees with that of other samples of solar system material, but the previously noted difference between the solar flare and solar wind Ne-22/Ne-20 ratios remains unresolved.

  20. Energetic materials research and development activities at Sandia National Laboratories supported under DP-10 programs

    Energy Technology Data Exchange (ETDEWEB)

    Ratzel, A.C. III

    1998-09-01

    This report provides summary descriptions of Energetic Materials (EM) Research and Development activities performed at Sandia National Laboratories and funded through the Department of Energy DP-10 Program Office in FY97 and FY98. The work falls under three major focus areas: EM Chemistry, EM Characterization, and EM Phenomenological Model Development. The research supports the Sandia component mission and also Sandia's overall role as safety steward for the DOE Nuclear Weapons Complex.

  1. Experimental Investigation of the Role of Defects in Detonation Sensitivity of Energetic Materials: Development of Techniques for Characterization

    Science.gov (United States)

    2008-03-04

    Chein . B 2007, 111, 3430-3437 Computer Simulations and Analysis of Structural and Energetic Features of Some Crystalline Energetic Materials Craig J...B, Vol. I H, No. 13, 2007 3437 Brand, H. V. Combust. Flame 2002. 130, 185-203. (c) Taylor, J. W.; (11) (a) Gavezzotti, A. J1 Phys. Chein . B 2002, 106

  2. MATERIAL PROCESSING FOR SELF-ASSEMBLING MACHINE SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    K. LACKNER; D. BUTT; C. WENDT

    1999-06-01

    We are developing an important aspect of a new technology based on self-reproducing machine systems. Such systems could overcome resource limitations and control the deleterious side effects of human activities on the environment. Machine systems capable of building themselves promise an increase in industrial productivity as dramatic as that of the industrial revolution. To operate successfully, such systems must procure necessary raw materials from their surroundings. Therefore, next to automation, most critical for this new technology is the ability to extract important chemicals from readily available soils. In contrast to conventional metallurgical practice, these extraction processes cannot make substantial use of rare elements. We have designed a thermodynamically viable process and experimentally demonstrated most steps that differ from common practice. To this end we had to develop a small, disposable vacuum furnace system. Our work points to a viable extraction process.

  3. Meeting the challenge of characterizing emissions produced by burning chlorinated energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Wilcox, J.L. [Army West Desert Test Center, Dugway, UT (United States); Bacon, D.P. [ECO, L.C., Salt Lake City, UT (United States)

    1996-12-01

    As the US Environmental Protection Agency (USEPA) and state regulators increase the stringency and enforcement of regulations concerning emissions produced by open-air detonation of energetic materials, research must provide the means of obtaining emissions data. The BangBox emissions testing program established the technical foundations for emissions characterization which have been accepted by the USEPA and other regulatory agencies; the technical issues remaining are nettlesome and require new approaches in test procedures. Characterizing emissions produced by the open burning (OB) or open detonation (OD) of chlorine-containing energetics is an excellent example. Highly reactive, chlorine combines with a number of materials found in most testing environments, e.g., metal in sampling devices and moisture in the air, thus greatly complicating the testing situation. This paper describes the materials tested, special considerations in preparing the test facility, the means used to account for chlorine, and preliminary results of a developmental test on solid rocket-motor propellants conducted in July and August 1995 at the BangBox test facility at the US Army West Desert Test Center in Utah. The paper also projects how the creative processes used in developing the means for testing chlorine-containing energetics can be applied in resolving other emissions-data needs of the explosives industry such as supporting OB/OD permit applications and responding to notices of deficiency and notices of violation.

  4. Searching for new energetic materials: Computational design of novel nitro-substituted heterocyclic explosives

    Science.gov (United States)

    Tsyshevsky, Roman V.; Pagoria, Philip; Kuklja, Maija M.

    2017-01-01

    The continuous search for safe and powerful energetic materials is an exciting research challenge that attracts experts in material science, chemistry, physics, and engineering. Elucidation of meaningful relationships between sensitivity and structures of explosives is a fundamental problem, which needs to be addressed to ensure successful design of new materials and improvements of existing energetics. In this paper, quantum-chemical DFT study of thermal decomposition of a series of recently synthesized oxadiazole-based explosives, BNFF (3,4-bis(4-Nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-N-oxide), BNFF-1 (3,4-bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole) and ANFF-1 (3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole) is presented. We also show how the knowledge of discovered interplay between the structures and thermal stability of these compounds is used to design several novel candidate heterocyclic energetic molecules, including DNBTT (2,7-dinitro-4H,9H-bis([1,2,4]triazolo)[1,5-b:1',5'-e][1,2,4,5]tetrazine), the compound with high thermal stability, which is on predicted to be par or better than that of TATB.

  5. Experimental Study on Reaction Characteristics of PTFE/Ti/W Energetic Materials under Explosive Loading

    Directory of Open Access Journals (Sweden)

    Yan Li

    2016-11-01

    Full Text Available Metal/fluoropolymer composites represent a new category of energetic structural materials that release energy through exothermic chemical reactions initiated under shock loading conditions. This paper describes an experiment designed to study the reaction characteristics of energetic materials with low porosity under explosive loading. Three PTFE (polytetrafluoroethylene/Ti/W mixtures with different W contents are processed through pressing and sintering. An inert PTFE/W mixture without reactive Ti particles is also prepared to serve as a reference. Shock-induced chemical reactions are recorded by high-speed video through a narrow observation window. Related shock parameters are calculated based on experimental data, and differences in energy release are discussed. The results show that the reaction propagation of PTFE/Ti/W energetic materials with low porosity under explosive loading is not self-sustained. As propagation distance increases, the energy release gradually decreases. In addition, reaction failure distance in PTFE/Ti/W composites is inversely proportional to the W content. Porosity increased the failure distance due to higher shock temperature.

  6. Experimental Study on Reaction Characteristics of PTFE/Ti/W Energetic Materials under Explosive Loading.

    Science.gov (United States)

    Li, Yan; Jiang, Chunlan; Wang, Zaicheng; Luo, Puguang

    2016-11-18

    Metal/fluoropolymer composites represent a new category of energetic structural materials that release energy through exothermic chemical reactions initiated under shock loading conditions. This paper describes an experiment designed to study the reaction characteristics of energetic materials with low porosity under explosive loading. Three PTFE (polytetrafluoroethylene)/Ti/W mixtures with different W contents are processed through pressing and sintering. An inert PTFE/W mixture without reactive Ti particles is also prepared to serve as a reference. Shock-induced chemical reactions are recorded by high-speed video through a narrow observation window. Related shock parameters are calculated based on experimental data, and differences in energy release are discussed. The results show that the reaction propagation of PTFE/Ti/W energetic materials with low porosity under explosive loading is not self-sustained. As propagation distance increases, the energy release gradually decreases. In addition, reaction failure distance in PTFE/Ti/W composites is inversely proportional to the W content. Porosity increased the failure distance due to higher shock temperature.

  7. Sensitivity Characterization of Pressed Energetic Materials using Flyer Plate Mesoscale Simulations

    Science.gov (United States)

    Rai, Nirmal; Udaykumar, H. S.

    Heterogeneous energetic materials like pressed explosives have complicated microstructure and contain various forms of heterogeneities such as pores, micro-cracks, energetic crystals etc. It is widely accepted that the presence of these heterogeneities can affect the sensitivity of these materials under shock load. The interaction of shock load with the microstructural heterogeneities may leads to the formation of local heated regions known as ``hot spots''. Chemical reaction may trigger at the hot spot regions depending on the hot spot temperature and the duration over which the temperature can be maintained before phenomenon like heat conduction, rarefaction waves withdraws energy from it. There are different mechanisms which can lead to the formation of hot spots including void collapse. The current work is focused towards the sensitivity characterization of two HMX based pressed energetic materials using flyer plate mesoscale simulations. The aim of the current work is to develop mesoscale numerical framework which can perform simulations by replicating the laboratory based flyer plate experiments. The current numerical framework uses an image processing approach to represent the microstructural heterogeneities incorporated in a massively parallel Eulerian code SCIMITAR3D. The chemical decomposition of HMX is modeled using Henson-Smilowitz reaction mechanism. The sensitivity characterization is aimed towards obtaining James initiation threshold curve and comparing it with the experimental results.

  8. Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study.

    Science.gov (United States)

    Sifain, Andrew E; Tadesse, Loza F; Bjorgaard, Josiah A; Chavez, David E; Prezhdo, Oleg V; Scharff, R Jason; Tretiak, Sergei

    2017-03-21

    Conjugated energetic molecules (CEMs) are a class of explosives with high nitrogen content that posses both enhanced safety and energetic performance properties and are ideal for direct optical initiation. As isolated molecules, they absorb within the range of conventional lasers. Crystalline CEMs are used in practice, however, and their properties can differ due to intermolecular interaction. Herein, time-dependent density functional theory was used to investigate one-photon absorption (OPA) and two-photon absorption (TPA) of monomers and dimers obtained from experimentally determined crystal structures of CEMs. OPA scales linearly with the number of chromophore units, while TPA scales nonlinearly, where a more than 3-fold enhancement in peak intensity, per chromophore unit, is calculated. Cooperative enhancement depends on electronic delocalization spanning both chromophore units. An increase in sensitivity to nonlinear laser initiation makes these materials suitable for practical use. This is the first study predicting a cooperative enhancement of the nonlinear optical response in energetic materials composed of relatively small molecules. The proposed model quantum chemistry is validated by comparison to crystal structure geometries and the optical absorption of these materials dissolved in solution.

  9. Development of quantitative structure property relationships for predicting the melting point of energetic materials.

    Science.gov (United States)

    Morrill, Jason A; Byrd, Edward F C

    2015-11-01

    The accurate prediction of the melting temperature of organic compounds is a significant problem that has eluded researchers for many years. The most common approach used to develop predictive models entails the derivation of quantitative structure-property relationships (QSPRs), which are multivariate linear relationships between calculated quantities that are descriptors of molecular or electronic features and a property of interest. In this report the derivation of QSPRs to predict melting temperatures of energetic materials based on descriptors calculated using the AM1 semiempirical quantum mechanical method are described. In total, the melting points and experimental crystal structures of 148 energetic materials were analyzed. Principal components analysis was performed in order to assess the relative importance and roles of the descriptors in our QSPR models. Also described are the results of k means cluster analysis, performed in order to identify natural groupings within our study set of structures. The QSPR models resulting from these analyses gave training set R(2) values of 0.6085 (RMSE = ± 15.7 °C) and 0.7468 (RMSE = ± 13.2 °C). The test sets for these clusters had R(2) values of 0.9428 (RMSE = ± 7.0 °C) and 0.8974 (RMSE = ± 8.8 °C), respectively. These models are among the best melting point QSPRs yet published for energetic materials. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. Conditioning ad energetic utilization of wooden materials for landscape conservation; Aufbereitung und Energetische Nutzung von holzigem Landschaftspflegematerial

    Energy Technology Data Exchange (ETDEWEB)

    Letalik, Christian [C.A.R.M.E.N. e.V., Straubing (Germany). Abt. Festbrennstoffe

    2013-10-01

    It has become common practice to energetically recover ligneous materials from landscape conservation activities in heat (and power) generation plants. The treatment of green cuttings along roads, railways or power supply lines is state of the art. Such landscaping materials are ligneous green residues e.g. from tree lopping in orchard meadows or shrub hedges - there are about 45,000 kilometers of hedgerows in Schleswig-Holstein, Germany, alone. Shredder machines disintegrate the materials into any required size. By means of adjustable perforated baskets on the disintegrating engine and subsequent sieving steps, homogenous fuels of defined dimensions and low shares of fines can be provided, whichever required. Depending on the water content, such wood chips contain about 20% less energy (calorific value) than comparable forest wood chips. It is important, however, that mineral fine particles like sand, soil or small stones are being sieved out before the combustion because they do not only decrease the calorific value and hence the boiler performance but also cause problems in the combustion areas resulting in higher costs for maintenance, cleaning and ash utilization. Composting plants are regularly well-equipped. They use well-proven management concepts for the material flow to merely condition as much landscape cuttings into fuels, enable the aerobe composting process with less ligneous and more humid materials to continue. For both compost and wood fuels there is sufficient demand resulting in increasing revenues. The EEG amendment 2012 classifies landscape conservation materials as raw materials of remuneration class II (= 8 ct/kWhel on top of the basic remuneration). This is likely to further increment the demand for ligneous fuel from landscape conservation. According to the EEG 2012 there will no longer be power plants without reasonable heat concepts. (orig.)

  11. Growth and energetics in Spisula subtruncata (Da Costa) and the effect of suspended bottom material

    DEFF Research Database (Denmark)

    Møhlenberg, F.; Kiørboe, Thomas

    1981-01-01

    The influence of suspended bottom material (0-25 mg/l) and algal cells (Phaeodactylum tricornutum) (0-500 .mu.g dry org wt[organic weight]/l) on clearance, growth and energetics in S. subtruncata (da Costa) was studied. Clearance and respiration rate were independent of concentrations of algae...... and suspended bottom material. Algal ingestion rate was proportional to algal concentration and independent of the concentration of suspended bottom material. Growth rate increased with algal concentration and was further increased by 10-110% by adding suspended bottom material. The positive effect of suspended...... bottom material on growth is due to a higher efficiency of assimilation of the ingested algae and/or the utilization of organic matter in the suspended bottom material. The efficiency of algal assimilation decreased from 76% at a low (150 .mu.g dry org wt/l) to 33% at a high (500 .mu.g) algal...

  12. Energetic multifunctionalized nitraminopyrazoles and their ionic derivatives: ternary hydrogen-bond induced high energy density materials.

    Science.gov (United States)

    Yin, Ping; Parrish, Damon A; Shreeve, Jean'ne M

    2015-04-15

    Diverse functionalization was introduced into the pyrazole framework giving rise to a new family of ternary hydrogen-bond induced high energy density materials. By incorporating extended cationic interactions, nitramine-based ionic derivatives exhibit good energetic performance and enhanced molecular stability. Performance parameters including heats of formation and detonation properties were calculated by using Gaussian 03 and EXPLO5 v6.01 programs, respectively. It is noteworthy to find that 5-nitramino-3,4-dinitropyrazole, 4, has a remarkable measured density of 1.97 g cm(-3) at 298 K, which is consistent with its crystal density (2.032 g cm(-3), 150 K), and ranks highest among azole-based CHNO compounds. Energetic evaluation indicates that, in addition to the molecular compound 4, some ionic derivatives, 9, 11, 12, 17, 19, and 22, also have high densities (1.83-1.97 g cm(-3)), excellent detonation pressures and velocities (P, 35.6-41.6 GPa; vD, 8880-9430 m s(-1)), as well as acceptable impact and friction sensitivities (IS, 4-30 J; FS, 40-240 N). These attractive features highlight the application potential of nitramino hydrogen-bonded interactions in the design of advanced energetic materials.

  13. Photoelectron spectroscopy and density functional theory studies of N-rich energetic materials.

    Science.gov (United States)

    Zeng, Zhen; Bernstein, Elliot R

    2016-10-28

    The geometric and electronic structures of molecular anionic energetic materials (EMs) DAAF (3,3'-diamino-4,4'-azoxyfurazan), FOX-7 (1,1-diamino-2,2-dinitroethene), 5,5'-BT (5,5'-bistetrazole), and 1,5'-BT (1,5'-bistetrazole) are explored employing anionic photoelectron spectroscopy and density functional theory calculations. The electron binding energies of the observed anionic, energetic material related species are determined and their corresponding anionic structures are assigned. Decomposition reactions for negatively charged EMs can proceed with different energy barriers, and thus mechanisms, from those for their related neutral EMs. Reactivity based on the anionic initial fragments of these EM species further reinforces their respective highly reactive and explosive nature. Fragment ions of the form EM(-)-H-X (X = N2, N2+NH, …) are additionally observed. Detection of such species suggests that EM(-)-H could serve as promising new candidates for EMs, assuming that such species are synthetically available, perhaps as energetic salts. Vertical detachment energies for transitions to the ground and first triplet electronic excited states of neutral matrix dye anion DCM(-) are additionally determined.

  14. Photoelectron spectroscopy and density functional theory studies of N-rich energetic materials

    Science.gov (United States)

    Zeng, Zhen; Bernstein, Elliot R.

    2016-10-01

    The geometric and electronic structures of molecular anionic energetic materials (EMs) DAAF (3,3'-diamino-4,4'-azoxyfurazan), FOX-7 (1,1-diamino-2,2-dinitroethene), 5,5'-BT (5,5'-bistetrazole), and 1,5'-BT (1,5'-bistetrazole) are explored employing anionic photoelectron spectroscopy and density functional theory calculations. The electron binding energies of the observed anionic, energetic material related species are determined and their corresponding anionic structures are assigned. Decomposition reactions for negatively charged EMs can proceed with different energy barriers, and thus mechanisms, from those for their related neutral EMs. Reactivity based on the anionic initial fragments of these EM species further reinforces their respective highly reactive and explosive nature. Fragment ions of the form EM--H-X (X = N2, N2+NH, …) are additionally observed. Detection of such species suggests that EM--H could serve as promising new candidates for EMs, assuming that such species are synthetically available, perhaps as energetic salts. Vertical detachment energies for transitions to the ground and first triplet electronic excited states of neutral matrix dye anion DCM- are additionally determined.

  15. New high-nitrogen energetic materials for gas generators in space ordnance

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, M.S.; Lee, Kien-Yin; Hiskey, M.A.

    1995-08-01

    High-nitrogen nitroheterocyclic energetic compounds are used as explosives, propellants, and gas generants when safe, thermally stable, cool-burning energetic materials are desired. A series of compounds are compared for sensitivity properties and calculated burn performance. Thermodynamic equilibrium calculations by NASA/Lewis rocket propellant and Blake gun propellant codes gave flame temperatures, average molecular weight, and identity of the equilibrium burn products for ambient, rocket, and gun pressure environments. These compounds were subjected to calculations both as monopropellants and as 50/50 weight ratio mixtures with ammonium nitrate (AN). Special attention was paid to calculated toxic products such as carbon monoxide and hydrogen cyanide, and how these were affected by the addition of an oxidizer AN. Several compounds were noted for further calculations of a formulation ad experimental evaluation.

  16. Improved detection of highly energetic materials traces on surfaces by standoff laser-induced thermal emission incorporating neural networks

    Science.gov (United States)

    Figueroa-Navedo, Amanda; Galán-Freyle, Nataly Y.; Pacheco-Londoño, Leonardo C.; Hernández-Rivera, Samuel P.

    2013-05-01

    Terrorists conceal highly energetic materials (HEM) as Improvised Explosive Devices (IED) in various types of materials such as PVC, wood, Teflon, aluminum, acrylic, carton and rubber to disguise them from detection equipment used by military and security agency personnel. Infrared emissions (IREs) of substrates, with and without HEM, were measured to generate models for detection and discrimination. Multivariable analysis techniques such as principal component analysis (PCA), soft independent modeling by class analogy (SIMCA), partial least squares-discriminant analysis (PLS-DA), support vector machine (SVM) and neural networks (NN) were employed to generate models, in which the emission of IR light from heated samples was stimulated using a CO2 laser giving rise to laser induced thermal emission (LITE) of HEMs. Traces of a specific target threat chemical explosive: PETN in surface concentrations of 10 to 300 ug/cm2 were studied on the surfaces mentioned. Custom built experimental setup used a CO2 laser as a heating source positioned with a telescope, where a minimal loss in reflective optics was reported, for the Mid-IR at a distance of 4 m and 32 scans at 10 s. SVM-DA resulted in the best statistical technique for a discrimination performance of 97%. PLS-DA accurately predicted over 94% and NN 88%.

  17. Laser-shocked energetic materials with metal additives: evaluation of detonation performance

    Science.gov (United States)

    Gottfried, Jennifer; Bukowski, Eric

    A focused, nanosecond-pulsed laser with sufficient energy to exceed the breakdown threshold of a material generates a laser-induced plasma with high peak temperatures, pressures, and shock velocities. Depending on the laser parameters and material properties, nanograms to micrograms of material is ablated, atomized, ionized and excited in the laser-induced plasma. The subsequent shock wave expansion into the air above the sample has been monitored using high-speed schlieren imaging in a recently developed technique, laser-induced air shock from energetic materials (LASEM). The estimated detonation velocities using LASEM agree well with published experimental values. A comparison of the measured shock velocities for various energetic materials including RDX, DNTF, and LLM-172 doped with Al or B to the detonation velocities predicted by CHEETAH for inert or active metal participation demonstrates that LASEM has potential for predicting the early time participation of metal additives in detonation events. The LASEM results show that reducing the amount of hydrogen present in B formulations increases the resulting detonation velocities

  18. Comparative Study of Various Pyrazole-based Anions: A Promising Family of Ionic Derivatives as Insensitive Energetic Materials.

    Science.gov (United States)

    Yin, Ping; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2017-02-01

    In the design of advanced energetic materials, high-density explosophores play a pivotal role because of their remarkable enhancement of both density and molecular stability. Using diversified functionalization strategies, a comparative study involving various nitropyrazole anions shows that these are crucially important in determining performance and stability. A promising family of pyrazole-based energetic ionic derivatives were synthesized and characterized by NMR and IR spectroscopies, and elemental analysis. Among them, 7, 8, 11-13 exhibit favorable overall performance as energetic materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. A micro-macro coupling approach of MD-SPH method for reactive energetic materials

    Science.gov (United States)

    Liu, Gui Rong; Wang, Guang Yu; Peng, Qing; De, Suvranu

    2017-01-01

    The simulation of reactive energetic materials has long been the interest of researchers because of the extensive applications of explosives. Much research has been done on the subject at macro scale in the past and research at micro scale has been initiated recently. Equation of state (EoS) is the relation between physical quantities (pressure, temperature, energy and volume) describing thermodynamic states of materials under a given set of conditions. It plays a significant role in determining the characteristics of energetic materials, including Chapman-Jouguet point and detonation velocity. Furthermore, EoS is the key to connect microscopic and macroscopic phenomenon when simulating the macro effects of an explosion. For instance, an ignition and growth model for high explosives uses two JWL EoSs, one for solid explosive and the other for gaseous products, which are often obtained from experiments that can be quite expensive and hazardous. Therefore, it is ideal to calculate the EoS of energetic materials through computational means. In this paper, the EoSs for both solid and gaseous products of β-HMX are calculated using molecular dynamics simulation with ReaxFF-d3, a reactive force field obtained from quantum mechanics. The microscopic simulation results are then compared with experiments and the continuum ignition and growth model. Good agreement is observed. Then, the EoSs obtained through micro-scale simulation is applied in a smoothed particle hydrodynamics (SPH) code to simulate the macro effects of explosions. Simulation results are compared with experiments.

  20. The quest for greater chemical energy storage in energetic materials: Grounding expectations

    Science.gov (United States)

    Lindsay, C. Michael; Fajardo, Mario E.

    2017-01-01

    It is well known that the performance of modern energetic materials based on organic chemistry has plateaued, with only ˜ 40% improvements realized over the past half century. This fact has stimulated research on alternative chemical energy storage schemes in various U.S. government funded "High Energy Density Materials" (HEDM) programs since the 1950's. These efforts have examined a wide range of phenomena such as free radical stabilization, metallic hydrogen, metastable helium, polynitrogens, extended molecular solids, nanothermites, and others. In spite of the substantial research investments, significant improvements in energetic material performance have not been forthcoming. This paper discusses the lessons learned in the various HEDM programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved. The discussion focuses almost exclusively on the topic of energy density and only mentions in passing other equally important properties of explosives and propellants such as gas generation and reaction rate.

  1. Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

    Science.gov (United States)

    Ali, A. N.; Son, S. F.; Asay, B. W.; Sander, R. K.

    2005-03-01

    Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6mm±0.4mm exists below which ignition by CO2 laser is not possible at the tested irradiances of 29W /cm2 and 38W/cm2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials.

  2. Calculated Lattice Energies of Energetic Materials in a Prediction of their Heats of Fusion and Sublimation

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The paper specifies an unambiguous basic relationship between the published results of ab initio calculations of lattice energies,EL,and heats of sublimation,ΔHs,of individual energetic materials. In this relationship,the ΔHs value has been replaced by heats of fusion,ΔHm,tr. Thereby its unambiguity has been lost,and the similarity of details of molecular structure begins to be of decisive importance. The resulting partial relationships,together with the basic relationship,have been used for prediction of ΔHs,and ΔHm,tr values of technically attractive polynitro compounds.

  3. Isentropic Compression Experiments Performed By LLNL On Energetic Material Samples Using The Z Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Vandersall, K S; Reisman, D B; Forbes, J W; Hare, D E; Garcia, F; Uphaus, T M; Elsholz, A J; Tarver, C M; Eggert, J H

    2007-10-25

    Several experiments have been conducted by LLNL researchers using isentropic compression experiments (ICE) on energetic materials as samples from Fiscal Year 2001 (FY01) to Fiscal Year 2005 (FY05). Over this span of time, advancements of the experimental techniques and modeling of the results have evolved to produce improved results. This report documents the experiments that have been performed, provides details of the results generated, and modeling and analysis advances to fully understand the results. Publications on the topics by the various principal investigators (PI's) are detailed in the Appendices for quick reference for the work as it progressed.

  4. Isotope-specific detection of low density materials with mono-energetic (gamma)-rays

    Energy Technology Data Exchange (ETDEWEB)

    Albert, F; Anderson, S G; Gibson, D J; Hagmann, C A; Johnson, M S; Messerly, M J; Semenov, V A; Shverdin, M Y; Tremaine, A M; Hartemann, F V; Siders, C W; McNabb, D P; Barty, C J

    2009-03-16

    The first demonstration of isotope-specific detection of a low-Z, low density object, shielded by a high-Z and high density material using mono-energetic gamma-rays is reported. Isotope-specific detection of LiH shielded by Pb and Al is accomplished using the nuclear resonance fluorescence line of {sup 7}Li at 0.478 MeV. Resonant photons are produced via laser-based Compton scattering. The detection techniques are general and the confidence level obtained is shown to be superior to that yielded by conventional x-ray/{gamma}-ray techniques in these situations.

  5. Eye-safe infrared laser-induced breakdown spectroscopy (LIBS) emissions from energetic materials

    Science.gov (United States)

    Brown, Ei E.; Hömmerich, Uwe; Yang, Clayton C.; Jin, Feng; Trivedi, Sudhir B.; Samuels, Alan C.

    2016-05-01

    Laser-induced breakdown spectroscopy is a powerful diagnostic tool for detection of trace elements by monitoring the atomic and ionic emission from laser-induced plasmas. Besides elemental emissions from conventional UV-Vis LIBS, molecular LIBS emission signatures of the target compounds were observed in the long-wave infrared (LWIR) region in recent studies. Most current LIBS studies employ the fundamental Nd:YAG laser output at 1.064 μm, which has extremely low eye-damage threshold. In this work, comparative LWIR-LIBS emissions studies using traditional 1.064 μm pumping and eye-safe laser wavelength at 1.574 μm were performed on several energetic materials for applications in chemical, biological, and explosive (CBE) sensing. A Q-switched Nd: YAG laser operating at 1.064 μm and the 1.574 μm output of a pulsed Nd:YAG pumped Optical Parametric Oscillator were employed as the excitation sources. The investigated energetic materials were studied for the appearance of LWIR-LIBS emissions (4-12 μm) that are directly indicative of oxygenated breakdown products as well as partially dissociated and recombination molecular species. The observed molecular IR LIBS emission bands showed strong correlation with FTIR absorption spectra of the studied materials for 1.064 μm and 1.574 μm pump wavelengths.

  6. Insensitive high-energy energetic structural material of tungsten-polytetrafluoroethylene-aluminum composites

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Liu; Liu, Jinxu, E-mail: liujinxu@bit.edu.cn; Zhang, Xinbo [School of Material Science and Engineering, Beijing Institute of Technology, No.5 yard, Zhong Guan Cun South Street, Beijing, 100081 (China); Li, Shukui [School of Material Science and Engineering, Beijing Institute of Technology, No.5 yard, Zhong Guan Cun South Street, Beijing, 100081 (China); State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, No. 5 yard, Zhong Guan Cun South Street, Beijing 100081 (China)

    2015-11-15

    Energetic structural material is a kind of materials that are inert under normal conditions but could produce exothermic chemical reaction when subjected to impact. This report shows a kind of energetic structural material of tungsten (W)-polytetrafluoroethylene (PTFE)-aluminum (Al) with density of 4.12 g/cm{sup 3}, excellent ductility and dynamic compressive strength of 96 MPa. Moreover, 50W-35PTFE-15Al (wt%) can exhibit a high reaction energy value of more than 2 times of TNT per unit mass and 5 times of TNT per unit volume, respectively, but with excellent insensitivity compared with traditional explosives. Under thermal conditions, the W-PTFE-Al composite can keep stable at 773 K. Under impact loading, when the strain rate up to ∼4820 s{sup −1} coupled with the absorbed energy per unit volume of 120 J/cm{sup 3}, deflagration occurs and combustion lasts for 500 μs. During impact compressive deformation, the PTFE matrix is elongated into nano-fibers, thus significantly increases the reaction activity of W-PTFE-Al composites. The nano-fiber structure is necessary for the reaction of W-PTFE-Al composites. The formation of PTFE nano-fibers must undergo severe plastic deformation, and therefore the W-PTFE-Al composites exhibit excellent insensitivity and safety. Furthermore, the reaction mechanisms of W-PTFE-Al composites in argon and in air are revealed.

  7. Insensitive high-energy energetic structural material of tungsten-polytetrafluoroethylene-aluminum composites

    Directory of Open Access Journals (Sweden)

    Liu Wang

    2015-11-01

    Full Text Available Energetic structural material is a kind of materials that are inert under normal conditions but could produce exothermic chemical reaction when subjected to impact. This report shows a kind of energetic structural material of tungsten (W-polytetrafluoroethylene (PTFE-aluminum (Al with density of 4.12 g/cm3, excellent ductility and dynamic compressive strength of 96 MPa. Moreover, 50W-35PTFE-15Al (wt% can exhibit a high reaction energy value of more than 2 times of TNT per unit mass and 5 times of TNT per unit volume, respectively, but with excellent insensitivity compared with traditional explosives. Under thermal conditions, the W-PTFE-Al composite can keep stable at 773 K. Under impact loading, when the strain rate up to ∼4820 s−1 coupled with the absorbed energy per unit volume of 120 J/cm3, deflagration occurs and combustion lasts for 500 μs. During impact compressive deformation, the PTFE matrix is elongated into nano-fibers, thus significantly increases the reaction activity of W-PTFE-Al composites. The nano-fiber structure is necessary for the reaction of W-PTFE-Al composites. The formation of PTFE nano-fibers must undergo severe plastic deformation, and therefore the W-PTFE-Al composites exhibit excellent insensitivity and safety. Furthermore, the reaction mechanisms of W-PTFE-Al composites in argon and in air are revealed.

  8. Hazards Response of Energetic Materials - Initiation Mechanisms, Experimental Characterization, and Development of Predictive Capability

    Energy Technology Data Exchange (ETDEWEB)

    Maienschein, J; Nichols III, A; Reaugh, J; McClelland, M; Hsu, P C

    2005-04-15

    We present our approach to develop a predictive capability for hazards -- thermal and non-shock impact -- response of energetic material systems based on: (A) identification of relevant processes; (B) characterization of the relevant properties; (C) application of property data to predictive models; and (D) application of the models into predictive simulation. This paper focuses on the first two elements above, while a companion paper by Nichols et al focuses on the final two elements. We outline the underlying mechanisms of hazards response and their interactions, and present our experimental work to characterize the necessary material parameters, including thermal ignition, thermal and mechanical properties, fracture/fragmentation behavior, deflagration rates, and the effect of material damage. We also describe our validation test, the Scaled Thermal Explosion Experiment. Finally, we integrate the entire collection of data into a qualitative understanding that is useful until such time as the predictive models become available.

  9. MATEO: a software package for the molecular design of energetic materials.

    Science.gov (United States)

    Mathieu, Didier

    2010-04-15

    To satisfy the need of energetic materials chemists for reliable and efficient predictive tools in order to select the most promising candidates for synthesis, a custom software package is developed. Making extensive use of publicly available software, it integrates a wide range of models and can be used for a variety of tasks, from the calculation of molecular properties to the prediction of the performance of heterogeneous materials, such as propellant compositions based on ammonium perchlorate/aluminium mixtures. The package is very easy to use through a graphical desktop environment. According to the material provided as input, suitable models and parameters are automatically selected. Therefore, chemists can apply advanced predictive models without having to learn how to use complex computer codes. To make the package more versatile, a command-line interface is also provided. It facilitates the assessment of various procedures by model developers.

  10. Enzymes for Degradation of Energetic Materials and Demilitarization of Explosives Stockpiles - SERDP Annual (Interim) Report, 12/98

    Energy Technology Data Exchange (ETDEWEB)

    Shah, M.M.

    1999-01-18

    The current stockpile of energetic materials requiring disposal contains about half a million tons. Through 2001, over 2.1 million tons are expected to pass through the stockpile for disposal. Safe and environmentally acceptable methods for disposing of these materials are needed. This project is developing safe, economical, and environmentally sound processes using biocatalyst (enzymes) to degrade energetic materials and to convert them into economically valuable products. Alternative methods for destroying these materials are hazardous, environmentally unacceptable, and expensive. These methods include burning, detonation, land and sea burial, treatment at high temperature and pressure, and treatment with harsh chemicals. Enzyme treatment operates at room temperature and atmospheric pressure in a water solution.

  11. Application of new tool material for electrical discharge machining (EDM)

    Indian Academy of Sciences (India)

    A K Khanra; L C Pathak; M M Godkhindi

    2009-08-01

    In EDM, Cu and graphite are commonly used as tool materials. The poor wear resistance is the drawback of these tools. In the current study, an attempt has been made to develop a ZrB2–Cu composite as an EDM tool material to overcome this problem. Initially, the ZrB2 powder is prepared by self-propagating high-temperature synthesis (SHS) technique and synthesized powder is mixed with different amounts of Cu powder. Dense composite is developed by a pressureless sintering at 1250°C. The composites are tested as tool material at different EDM process parameters during machining of mild steel. The ZrB2–40 wt% Cu composite shows highest metal removal rate (MRR) with significant tool removal rate (TRR) than other composites. The performance of ZrB2–40 wt% Cu composite is compared to conventional Cu tool. The composite shows higher MRR with less TRR than Cu tool but it shows more average surface roughness and diameteral overcut than Cu tool.

  12. Threshold Studies of Heated HMX-Based Energetic Material Targets Using the Steven Impact Test

    Energy Technology Data Exchange (ETDEWEB)

    Switzer, L L; Vandersall, K S; Chidester, S K; Greenwood, D W; Tarver, C M

    2003-07-01

    Impact tests performed at low velocity on heated energetic material samples are of interest when considering the situation of energetic materials involved in a fire. To determine heated reaction thresholds, Steven Test targets containing PBX 9404 or LX-04 samples heated to the range of 150-170 C were impacted at velocities up to 150 m/s by two different projectile head geometries. Comparing these measured thresholds to ambient temperature thresholds revealed that the heated LX-04 thresholds were considerably higher than ambient, whereas the heated PBX 9404 thresholds were only slightly higher than the ambient temperature thresholds. The violence of reaction level of the PBX 9404 was considerably higher than that of the LX-04 as measured with four overpressure gauges. The varying results in these samples with different HMX/binder configurations indicate that friction plays a dominant role in reaction ignition during impact. This work outlines the experimental details, compares the thresholds and violence levels of the heated and ambient temperature experiments, and discusses the dominant mechanisms of the measured thresholds.

  13. Laser-shocked energetic materials with metal additives: evaluation of chemistry and detonation performance.

    Science.gov (United States)

    Gottfried, Jennifer L; Bukowski, Eric J

    2017-01-20

    A focused, nanosecond-pulsed laser has been used to ablate, atomize, ionize, and excite milligram quantities of metal-doped energetic materials that undergo exothermic reactions in the laser-induced plasma. The subsequent shock wave expansion in the air above the sample has been monitored using high-speed schlieren imaging in a recently developed technique, laser-induced air shock from energetic materials (LASEM). The method enables the estimation of detonation velocities based on the measured laser-induced air-shock velocities and has previously been demonstrated for organic military explosives. Here, the LASEM technique has been extended to explosive formulations with metal additives. A comparison of the measured laser-induced air-shock velocities for TNT, RDX, DNTF, and LLM-172 doped with Al or B to the detonation velocities predicted by the thermochemical code CHEETAH for inert or active metal participation demonstrates that LASEM has potential for predicting the early time (<10  μs) participation of metal additives in detonation events. The LASEM results show that while Al is mostly inert at early times in the detonation event (confirmed from large-scale detonation testing), B is active-and reducing the amount of hydrogen present during the early chemical reactions increases the resulting estimated detonation velocities.

  14. Molecular design and performance prediction of poly-dinitroamino pyrrole compounds as energetic materials

    Indian Academy of Sciences (India)

    MEI LI; FENG-MIN WU; HANG XU

    2017-01-01

    To identify superior and safe energetic materials, eighteen poly-dinitroamino pyrrole derivatives were studied at the B3LYP/6-311G** level of density functional theory (DFT). The isodesmic reactions were employed to calculate the heats of formation (HOFs) for these compounds. The detonation velocity (D) and pressure (P) were evaluated using the Kamlet-Jacobs equations. Results indicate that –N(NO₂)₂ group is an effective substituent for enhancing the detonation performance since most of the molecules have larger energy density than RDX (1,3,5-trinitro-1,3,5-triazinane), and a few molecules, C1(N-R) - D3(N-R), with D ranging from 8.55 to 9.04 km s−1 and P ranging from 35.53 to 40.36 GPa outperform RDX (D = 8.75 km s⁻¹ and P = 34.00 GPa). The calculated bond dissociation energy (BDE) revealed that the new compounds exhibit good thermal stability and meet the requirements of energetic materials. Besides, the N-NO₂ bond on the side chain was found to be the trigger bond during decomposition. The characteristic height (h₅₀) of the compound was calculated, and thirteen compounds exhibited lower sensitivity than CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane).

  15. A Market-Basket Approach to Predict the Acute Aquatic Toxicity of Munitions and Energetic Materials.

    Science.gov (United States)

    Burgoon, Lyle D

    2016-06-01

    An ongoing challenge in chemical production, including the production of insensitive munitions and energetics, is the ability to make predictions about potential environmental hazards early in the process. To address this challenge, a quantitative structure activity relationship model was developed to predict acute fathead minnow toxicity of insensitive munitions and energetic materials. Computational predictive toxicology models like this one may be used to identify and prioritize environmentally safer materials early in their development. The developed model is based on the Apriori market-basket/frequent itemset mining approach to identify probabilistic prediction rules using chemical atom-pairs and the lethality data for 57 compounds from a fathead minnow acute toxicity assay. Lethality data were discretized into four categories based on the Globally Harmonized System of Classification and Labelling of Chemicals. Apriori identified toxicophores for categories two and three. The model classified 32 of the 57 compounds correctly, with a fivefold cross-validation classification rate of 74 %. A structure-based surrogate approach classified the remaining 25 chemicals correctly at 48 %. This result is unsurprising as these 25 chemicals were fairly unique within the larger set.

  16. Excited electronic state decomposition mechanisms and dynamics of nitramine energetic materials and model systems

    Science.gov (United States)

    Greenfield, Margo

    Energetic materials play an important role in aeronautics, the weapon industry, and the propellant industry due to their broad applications as explosives and fuels. RDX (1,3,5-trinitrohexahydro-s-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) are compounds which contain high energy density. Although RDX and HMX have been studied extensively over the past several decades a complete understanding of their decomposition mechanisms and dynamics is unknown. Time of flight mass spectroscopy (TOFMS) UV photodissociation (ns) experiments of gas phase RDX, HMX, and CL-20 generate the NO molecule as the initial decomposition product. Four different vibronic transitions of the initial decomposition product, the NO molecule, are observed: A2Sigma(upsilon'=0)←X 2pi(upsilon"=0,1,2,3). Simulations of the rovibronic intensities for the A←X transitions demonstrate that NO dissociated from RDX, HMX, and CL-20 is rotationally cold (˜20 K) and vibrationally hot (˜1800 K). Conversely, experiments on the five model systems (nitromethane, dimethylnitramine (DMNA), nitropyrrolidine, nitropiperidine and dinitropiperazine) produce rotationally hot and vibrationally cold spectra. Laser induced fluorescence (LIF) experiments are performed to rule out the possible decomposition product OH, generated along with NO, perhaps from the suggested HONO elimination mechanism. The OH radical is not observed in the fluorescence experiments, indicating the HONO decomposition intermediate is not an important pathway for the excited electronic state decomposition of cyclic nitramines. The NO molecule is also employed to measure the dynamics of the excited state decomposition. A 226 nm, 180 fs light pulse is utilized to photodissociate the gas phase systems. Stable ion states of DMNA and nitropyrrolidine are observed while the energetic materials and remaining model systems present the NO molecule as the only

  17. Effect of energetic materials wettability on their outdoor effective elution rate.

    Science.gov (United States)

    Lapointe, Marie-Claude; Martel, Richard; Lange, Sébastien F; Coté, Sébastien

    2016-07-05

    Energetic materials (EM) contained in military ammunitions have been found in the surface soil and water of training areas and may potentially represent a threat to human health and the environment. EM wettability is an essential physical parameter to characterize because it controls EM dissolution rate. This paper was conducted to determine the wettability of conventional and new EM formulations used in military ammunition. Wettability was estimated in the laboratory via contact angle measurements of water droplets on different EM surfaces. Results show that 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX), Octol and energetic thermoplastic elastomer (ETPE) 1000 are hydrophilic while Composition B, XRT, GIM, CX-85, ETPE 2000, and C4 are hydrophobic whereas HELOVA gun propellant has a mixed wettability oscillating between hydrophilic and hydrophobic. The present study demonstrates that wettability of EM formulation is generally controlled by their matrix constituents. Results indicate that hydrophobic formulations have a much slower outdoor environmental effective elution rate than hydrophilic ones, with the exception of the hydrophobic C4 formulation whose elution rate is extremely high. The addition of hydrophobic components into EM formulations is recommended to diminish the environmental impact on water, as it has already been done with XRT, GIM and CX-85 formulations. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. From FOX-7 to H-FOX to insensitive energetic materials with hypergolic properties.

    Science.gov (United States)

    Srinivas, Dharavath; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-06-08

    Nitrogen/halogen rich derivatives, , , , and of FOX-7 (1,1-diamino-2,2-dinitroethene), and H-FOX (1-hydrazinyl-2,2-dinitroethenamine) have been synthesized, characterized and found to exhibit good energetic properties. Compound displays hypergolic properties with commonly utilized fuels such as monomethyl hydrazine (MMH), and hydrazine hydrate (HH), as well as with ethylenediamine (EN), and 1,3-diaminopropane (DAP) showing ignition delay times between 2.5 to 10 ms. Additionally, the hypergolic properties of 4 and 8 were further studied by using ammonia borane as a fuel solubilized in a green ionic liquid, 1-allyl-3-methyl imidazolium dicyanamide, (1 : 1 molar ratio). This is a new role for a derivative of H-FOX. The energetic and physical properties of all the molecules were either measured or calculated. All of materials were characterized by NMR, and infrared spectra, elemental analyses, and differential scanning calorimetry. Single crystal X-ray structural measurements for and were helpful in their confirmation.

  19. N-oxide 1,2,4,5-tetrazine-based high-performance energetic materials.

    Science.gov (United States)

    Wei, Hao; Gao, Haixiang; Shreeve, Jean'ne M

    2014-12-15

    One route to high density and high performance energetic materials based on 1,2,4,5-tetrazine is the introduction of 2,4-di-N-oxide functionalities. Based on several examples and through theoretical analysis, the strategy of regioselective introduction of these moieties into 1,2,4,5-tetrazines has been developed. Using this methodology, various new tetrazine structures containing the N-oxide functionality were synthesized and fully characterized using IR, NMR, and mass spectroscopy, elemental analysis, and single-crystal X-ray analysis. Hydrogen peroxide (50 %) was used very effectively in lieu of the usual 90 % peroxide in this system to generate N-oxide tetrazine compounds successfully. Comparison of the experimental densities of N-oxide 1,2,4,5-tetrazine compounds with their 1,2,4,5-tetrazine precursors shows that introducing the N-oxide functionality is a highly effective and feasible method to enhance the density of these materials. The heats of formation for all compounds were calculated with Gaussian 03 (revision D.01) and these values were combined with measured densities to calculate detonation pressures (P) and velocities (νD ) of these energetic materials (Explo 5.0 v. 6.01). The new oxygen-containing tetrazines exhibit high density, good thermal stability, acceptable oxygen balance, positive heat of formation, and excellent detonation properties, which, in some cases, are superior to those of 1,3,5-tritnitrotoluene (TNT), 1,3,5-trinitrotriazacyclohexane (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Large-Scale Reactive Atomistic Simulation of Shock-induced Initiation Processes in Energetic Materials

    Science.gov (United States)

    Thompson, Aidan

    2013-06-01

    Initiation in energetic materials is fundamentally dependent on the interaction between a host of complex chemical and mechanical processes, occurring on scales ranging from intramolecular vibrations through molecular crystal plasticity up to hydrodynamic phenomena at the mesoscale. A variety of methods (e.g. quantum electronic structure methods (QM), non-reactive classical molecular dynamics (MD), mesoscopic continuum mechanics) exist to study processes occurring on each of these scales in isolation, but cannot describe how these processes interact with each other. In contrast, the ReaxFF reactive force field, implemented in the LAMMPS parallel MD code, allows us to routinely perform multimillion-atom reactive MD simulations of shock-induced initiation in a variety of energetic materials. This is done either by explicitly driving a shock-wave through the structure (NEMD) or by imposing thermodynamic constraints on the collective dynamics of the simulation cell e.g. using the Multiscale Shock Technique (MSST). These MD simulations allow us to directly observe how energy is transferred from the shockwave into other processes, including intramolecular vibrational modes, plastic deformation of the crystal, and hydrodynamic jetting at interfaces. These processes in turn cause thermal excitation of chemical bonds leading to initial chemical reactions, and ultimately to exothermic formation of product species. Results will be presented on the application of this approach to several important energetic materials, including pentaerythritol tetranitrate (PETN) and ammonium nitrate/fuel oil (ANFO). In both cases, we validate the ReaxFF parameterizations against QM and experimental data. For PETN, we observe initiation occurring via different chemical pathways, depending on the shock direction. For PETN containing spherical voids, we observe enhanced sensitivity due to jetting, void collapse, and hotspot formation, with sensitivity increasing with void size. For ANFO, we

  1. Research progress on ultra-precision machining technologies for soft-brittle crystal materials

    Science.gov (United States)

    Gao, Hang; Wang, Xu; Guo, Dongming; Chen, Yuchuan

    2016-12-01

    Soft-brittle crystal materials are widely used in many fields, especially optics and microelectronics. However, these materials are difficult to machine through traditional machining methods because of their brittle, soft, and anisotropic nature. In this article, the characteristics and machining difficulties of soft-brittle and crystals are presented. Moreover, the latest research progress of novel machining technologies and their applications for softbrittle crystals are introduced by using some representative materials (e.g., potassium dihydrogen phosphate (KDP), cadmium zinc telluride (CZT)) as examples. This article reviews the research progress of soft-brittle crystals processing.

  2. Combustion of porous energetic materials in the merged-flame regime

    Energy Technology Data Exchange (ETDEWEB)

    Margolis, S.B. [Sandia National Labs., Livermore, CA (United States). Combustion Research Facility; Williams, F.A.; Telengator, A.M. [Univ. of California, San Diego, La Jolla, CA (United States). Dept. of Applied Mechanics and Engineering Sciences

    1996-02-01

    The structure and burning rate of an unconfined deflagration propagating through a porous energetic material is analyzed in the limit of merged condensed and gas-phase reaction zones. A global two-step reaction mechanism, applicable to certain types of degraded nitramine propellants and consisting of sequential condensed and gaseous steps, is postulated. Taking into account important effects due to multiphase flow and exploiting the limit of large activation energies, a theoretical analysis based on activation energy asymptotics leads to explicit formulas for the deflagration velocity in a specifically identified regime that is consistent with the merged-flame assumption. The results clearly indicate the influences of two-phase flow and the multiphase, multi-step chemistry on the deflagration structure and the burning rate, and define conditions that support the intrusion of the primary gas flame into the two-phase condensed decomposition region at the propellant surface.

  3. The thermochemistry and reaction mechanisms in the decomposition of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Melius, C.F.

    1994-05-01

    The chemical processes involved in the decomposition of energetic materials have been investigated theoretically using quantum chemical methods to determine the thermochemistry and reaction pathways. The Bond-Additivity-Corrected Moller-Plesset 4th order perturbation theory method (BAC-MP4) has been used to determine heats of formation and free energies of reaction intermediates of decomposition. In addition, the BAC-MP4 method has been used to determine action pathways involving these intermediates. A theoretical method for calculating solvation energies has been developed to treat the non-idealities of high pressure and the condensed phase. The resulting chemical processes involving decomposition and ignition are presented for nitrate compounds, nitramines, and nitromethane.

  4. Efficient Synthesis of Primary Nitrocarbamates of Sugar Alcohols: From Food to Energetic Materials.

    Science.gov (United States)

    Axthammer, Quirin J; Klapötke, Thomas M; Krumm, Burkhard

    2016-02-18

    The synthesis of various new polyvalent nitrocarbamates derived from sugar alcohols was accomplished by an economically benign two-step synthesis. The precursor carbamates were synthesized with the reagent chlorosulfonyl isocyanate (CSI) and further nitrated using mixed acid. The starting materials, sugar alcohols, are renewable biomass, mainly used in food and cosmetic industry. The structures of one carbamate and one nitrocarbamate were exemplary described by single-crystal X-ray-analysis. The heat of formation is calculated by the use of isodesmic reactions and the energetic performance data were estimated. All compounds were fully characterized by elemental analysis, vibrational spectroscopy, (1)H, (13)C, and (14/15)N NMR spectroscopy and thermal analysis (DSC). The nitrocarbamates exhibit good detonation performance and have significantly lower sensitivities compared to the commonly used nitrate ester explosive PETN.

  5. Propagation of combustion waves in the shell-core energetic materials with external heat losses.

    Science.gov (United States)

    Gubernov, V V; Kudryumov, V N; Kolobov, A V; Polezhaev, A A

    2017-03-01

    In this paper, the properties and stability of combustion waves propagating in the composite solid energetic material of the shell-core type are numerically investigated within the one-dimensional diffusive-thermal model with heat losses to the surroundings. The flame speed is calculated as a function of the parameters of the model. The boundaries of stability are determined in the space of parameters by solving the linear stability problem and direct integration of the governing non-stationary equations. The results are compared with the characteristics of the combustion waves in pure solid fuel. It is demonstrated that a stable travelling combustion wave solution can exist for the parameters of the model for which the flame front propagation is unstable in pure solid fuel and it can propagate several times faster even in the presence of significant heat losses.

  6. Investigations on deflagration to detonation transition in porous energetic materials. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, D.S. [Univ. of Illinois, Urbana, IL (United States)

    1999-07-01

    The research carried out by this contract was part of a larger effort funded by LANL in the areas of deflagration to detonation in porous energetic materials (DDT) and detonation shock dynamics in high explosives (DSD). In the first three years of the contract the major focus was on DDT. However, some researchers were carried out on DSD theory and numerical implementation. In the last two years the principal focus of the contract was on DSD theory and numerical implementation. However, during the second period some work was also carried out on DDT. The paper discusses DDT modeling and DSD modeling. Abstracts are included on the following topics: modeling deflagration to detonation; DSD theory; DSD wave front tracking; and DSD program burn implementation.

  7. Application of simultaneous thermogravimetric modulated beam mass spectrometry to the study of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Behrens, R. Jr. [Sandia National Labs., Livermore, CA (United States)

    1995-03-01

    Simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and time-of-flight velocity (TOF) spectra have been developed to study reactions that occur during the thermal decomposition of liquids and solids. The data obtained with these techniques are the identity of the reaction products and their rates of gas formation as a function of time. Over the past several years, these techniques have been applied to the study of energetic materials that are used in propellants and explosives. In this presentation, the details of the STMBMS and TOF velocity spectra techniques will be reviewed, the advantages of the techniques over more conventional thermal analysis and mass spectrometry measurements will be discussed, and the use of the techniques will be illustrated with results on the thermal decomposition of hexahydro-1,3,5-s-triazine (RDX).

  8. Pressure Dependent Decomposition Kinetics of the Energetic Material HMX up to 3.6 GPa

    Energy Technology Data Exchange (ETDEWEB)

    Glascoe, E A; Zaug, J M; Burnham, A K

    2009-05-29

    The effect of pressure on the thermal decomposition rate of the energetic material HMX was studied. HMX was precompressed in a diamond anvil cell (DAC) and heated at various rates. The parent species population was monitored as a function of time and temperature using Fourier transform infrared (FTIR) spectroscopy. Decomposition rates were determined by fitting the fraction reacted to the extended-Prout-Tompkins nucleation-growth model and the Friedman isoconversional method. The results of these experiments and analysis indicate that pressure accelerates the decomposition at low to moderate pressures (i.e. between ambient pressure and 1 GPa) and decelerates the decomposition at higher pressures. The decomposition acceleration is attributed to pressure enhanced autocatalysis whereas the deceleration at high pressures is attributed pressure inhibiting bond homolysis step(s), which would result in an increase in volume. These results indicate that both {beta} and {delta} phase HMX are sensitive to pressure in the thermally induced decomposition kinetics.

  9. Tungsten bridge for the low energy ignition of explosive and energetic materials

    Science.gov (United States)

    Benson, David A.; Bickes, Jr., Robert W.; Blewer, Robert S.

    1990-01-01

    A tungsten bridge device for the low energy ignition of explosive and energetic materials is disclosed. The device is fabricated on a silicon-on-sapphire substrate which has an insulating bridge element defined therein using standard integrated circuit fabrication techniques. Then, a thin layer of tungsten is selectively deposited on the silicon bridge layer using chemical vapor deposition techniques. Finally, conductive lands are deposited on each end of the tungsten bridge layer to form the device. It has been found that this device exhibits substantially shorter ignition times than standard metal bridges and foil igniting devices. In addition, substantially less energy is required to cause ignition of the tungsten bridge device of the present invention than is required for common metal bridges and foil devices used for the same purpose.

  10. Computational investigation of the properties of double furazan-based and furoxan-based energetic materials.

    Science.gov (United States)

    Xia, Mingzhu; Chu, Yuting; Wang, Tianyi; Lei, Wu; Wang, Fengyun

    2016-11-01

    As a kind of promising energetic materials, the double furazan-based and furoxan-based compounds have raised concerns of many researchers in recent years. In this paper, the optimized structures, energetic properties, heat of formation (HOF), detonation properties, and bond dissociation energies of these compounds were calculated by density functional theory (DFT) method. The results show that the N-O bond, which is close to the adjacent coordinated oxygen atom in furoxan ring, is more fragile than the other N-O bonds in the ring. The double furazan-based derivatives are more stable than the double furoxan-based derivatives. All the titled compounds are divided into five groups because of the different substitute groups on both ends. The HOFs of the substances offer the order of 4 group (the both ends are 1,2,3,4-tetrazine ) ≈ 5 group (1,2,4,5-tetrazine) > 3 group (tetrazole) ≈ 1 group (1,2,3-triazole) > 2 group (1,2,4-triazole). All the title compounds also can be divided into three types with the different linkages, -N=N-, -N=N(O)-, and -NH-NH-. The results show that the HOFs of the compounds with different linkages obey the order -N=N- type > -N=N(O)- type> -NH-NH- type. For all titled compounds, bis(4-(1,2,4,5-tetrazin-3-yl)-1,2,5-oxadiazol-3-yl) diazene (E5) has the best gas-phase and solid-phase HOFs. The heat of detonation(Q) of bis(3-(1,2,3,4-tetrazin-5-yl)-1,2,5-oxidiazole-2 -oxide)diazene-1,2-diyl (B4) is the best of all titled compounds. The density of bis((3-2H-tetrazol-5-yl)-1,2,5-oxidiazole -2-oxide)oxidodiazene-1,2-diyl (A3) is the best and the second best is bis((4-2H-tetrazol-5-yl)-1,2,5-oxidiazol-3-yl) diazene (E3). The detonation velocities and detonation pressure of A3 and E3 are better than other titled compounds. 1,2-bis((4-2H-tetrazol-5-yl)-1,2,5 -oxidiazol-3-yl) diazene-1-oxide (D3) and 1,2-bis((4-2H-tetrazol-5-yl)-1,2,5-oxidiazol-3-yl) hydrazine (F3) have superior D and P with low sensitivity. The tetrazole ring plays a vital role in

  11. Micro- and Nanoscale Energetic Materials as Effective Heat Energy Sources for Enhanced Gas Generators.

    Science.gov (United States)

    Kim, Sang Beom; Kim, Kyung Ju; Cho, Myung Hoon; Kim, Ji Hoon; Kim, Kyung Tae; Kim, Soo Hyung

    2016-04-13

    In this study, we systematically investigated the effect of micro- and nanoscale energetic materials in formulations of aluminum microparticles (Al MPs; heat source)/aluminum nanoparticles (Al NPs; heat source)/copper oxide nanoparticles (CuO NPs; oxidizer) on the combustion and gas-generating properties of sodium azide microparticles (NaN3 MPs; gas-generating agent) for potential applications in gas generators. The burn rate of the NaN3 MP/CuO NP composite powder was only ∼0.3 m/s. However, the addition of Al MPs and Al NPs to the NaN3 MP/CuO NP matrix caused the rates to reach ∼1.5 and ∼5.3 m/s, respectively. In addition, the N2 gas volume flow rate generated by the ignition of the NaN3 MP/CuO NP composite powder was only ∼0.6 L/s, which was significantly increased to ∼1.4 and ∼3.9 L/s by adding Al MPs and Al NPs, respectively, to the NaN3 MP/CuO NP composite powder. This suggested that the highly reactive Al MPs and NPs, with the assistance of CuO NPs, were effective heat-generating sources enabling the complete thermal decomposition of NaN3 MPs upon ignition. Al NPs were more effective than Al MPs in the gas generators because of the increased reactivity induced by the reduced particle size. Finally, we successfully demonstrated that a homemade airbag with a specific volume of ∼140 mL could be rapidly and fully inflated by the thermal activation of nanoscale energetic material-added gas-generating agents (i.e., NaN3 MP/Al NP/CuO NP composites) within the standard time of ∼50 ms for airbag inflation.

  12. INVESTIGATION OF MACHINABILITY IN Co AND Cr CONTAINING HARD MATERIALS HEATED BY PLASMA ARC

    Directory of Open Access Journals (Sweden)

    Halis Çelik

    1996-02-01

    Full Text Available Turning soft materials is not a problem in these days. But machinability of hard materials have been necessary. A lot of research has been done on machinability of difficult-to-cut materials. The aim of the present study is toinvestigate the machinability of three of hard materials after heating and softening. In this study for machining difficult-to-cut materials, different heating processes were applied and for heating, lately developed plasma heating method was used. To cut the hard material heated by plasma arc, tungsten carbide cutting tool was used. In the study, three different hard materials have been used. These were ferritic steel with 14 % Cr, Ti added cast iron, 8.5 % Cr cast steel and Co-Cr-W alloyed steel which is called stellite 6 and used in the textile industry andat power stations. In this study cutting forces, wear of cutting tool and surface roughness were investigated.

  13. EOS determination through microscopy- interferometry measurements: A low symmetry energetic materials case study

    Science.gov (United States)

    Stavrou, Elissaios; Zaug, Joseph; Crowhurst, Jonathan; Bastea, Sorin; Armstrong, Mike

    2015-03-01

    Measuring equation of state (EOS) of solid specimens under pressure usually involves the determination of the primitive cell volume using x-ray diffraction (XRD) measurements. However, in the case of low symmetry (e.g. triclinic) materials with twining features and large primitive cells, this can be problematic and ambiguous. In order to address this issue we examine the possibility of a direct approach which is based on measuring the surface area and thickness with microscopy and optical interferometry respectively. To test the validity of this approach applied to a crystalline material, we first compared our results from Triamino-Trinitrobenzene (TATB, SG P-1) with the published EOS, as determined with XRD measurements, by Stevens et al. [1]. A near perfect match between the two sets of data has been observed. We also present the results of our study on the energetic material 5-nitro-2,4-dihydro-1,2,4,-triazol-3-one (a-NTO) which crystallizes as a four-component twin [2] with triclinic symmetry. No high-pressure XRD data have been published on a-NTO, probably due to its highly complex crystal structure, making this technique a viable way to probe the cold compression EOS of such compounds. Work performed by the U.S. Department of Energy jointly by Lawrence Livermore National Laboratory; Contract DE-AC52-07NA27344.

  14. Experimental and Numerical Investigations of Thermal Ignition of a Phase Changing Energetic Material

    Directory of Open Access Journals (Sweden)

    Priyanka Shukla

    2016-04-01

    Full Text Available Fortuitous exposure to high temperatures initiates reaction in energetic materials and possibilities of such event are of great concern in terms of the safe and controlled usage of explosive devices. Experimental and numerical investigations on time to explosion and location of ignition of a phase changing polymer bonded explosive material (80 per cent RDX and 20 per cent binder, contained in a metallic confinement subjected to controlled temperature build-up on its surface, are presented. An experimental setup was developed in which the polymer bonded explosive material filled in a cylindrical confinement was provided with a precise control of surface heating rate. Temperature at various radial locations was monitored till ignition. A computational model for solving two dimensional unsteady heat transfer with phase change and heat generation due to multi-step chemical reaction was developed. This model was implemented using a custom field function in the framework of a finite volume method based standard commercial solver. Numerical study could simulate the transient heat conduction, the melting pattern of the explosive within the charge and also the thermal runaway. Computed values of temperature evolution at various radial locations and the time to ignition were closely agreeing with those measured in experiment. Results are helpful both in predicting the possibility of thermal ignition during accidents as well as for the design of safety systems.

  15. Ultrafast Laser Diagnostics for Energetic-Material Ignition Mechanisms: Tools for Physics-Based Model Development.

    Energy Technology Data Exchange (ETDEWEB)

    Kearney, Sean Patrick; Jilek, Brook Anton; Kohl, Ian Thomas; Farrow, Darcie; Urayama, Junji

    2014-11-01

    We present the results of an LDRD project to develop diagnostics to perform fundamental measurements of material properties during shock compression of condensed phase materials at micron spatial scales and picosecond time scales. The report is structured into three main chapters, which each focus on a different diagnostic devel opment effort. Direct picosecond laser drive is used to introduce shock waves into thin films of energetic and inert materials. The resulting laser - driven shock properties are probed via Ultrafast Time Domain Interferometry (UTDI), which can additionally be used to generate shock Hugoniot data in tabletop experiments. Stimulated Raman scattering (SRS) is developed as a temperature diagnostic. A transient absorption spectroscopy setup has been developed to probe shock - induced changes during shock compressio n. UTDI results are presented under dynamic, direct - laser - drive conditions and shock Hugoniots are estimated for inert polystyrene samples and for the explosive hexanitroazobenzene, with results from both Sandia and Lawrence Livermore presented here. SRS a nd transient absorption diagnostics are demonstrated on static thin - film samples, and paths forward to dynamic experiments are presented.

  16. Design of new frictional testing machine for shallow fault materials

    Science.gov (United States)

    Tadai, O.; Tanikawa, W.; Hirose, T.; Sakaguchi, M.; Lin, W.

    2009-12-01

    Subduction thrust faults at shallow depth mainly consist of granular and clay-rich materials which strengths are influenced by the presence of pore water. Dilatation and pore pressure generation of fault zones by the dynamic friction will increase the volumetric water content in fault zone, which can assist the fault weakening by acoustic fluidization or hydrodynamic lubrication mechanism. Therefore the evaluation of rheology for clay minerals rich in pore water is critical for understanding of seismic behaviors at shallow depth. Here, we introduce a new testing apparatus for the purpose of accurate evaluation of friction behavior for incohesive fault rock materials. Our machine can shear granular materials up to 80 mm of outer diameter and maximum thickness of 40 mm. The capacities of axial load, torque, and motor are 100kN, 500Nm and 30kW, respectively, and pore pressure is increased up to 50 MPa. Maximum rotation speed is 660 rpm, which is equivalent to 1 m/s of the average slip velocity when sample diameter is 60 mm. We can monitor the dynamic changes of pore pressure and temperature at sliding surface during the friction tests. We can also control the pore pressure, axial load, pore pressure and temperature independently. All parameters can be held at targeted values and be generated at constant incremental velocity. We can control the rotation more sensitively to program the complicated rotation history that slip velocity and acceleration change during the rotation. We used powdered smectite and illite in our friction tests. We measured normal stress dependence on shear stress at normal stress up to 25 MPa with a constant rotation speed from 0.01 to 1 rpm. Normal stress is proportional to shear stress for dry clay minerals, and the friction coefficients are from 0.3 to 0.5. On the other hand, very low friction is observed in clay minerals saturated by water, and shear strength is nearly constant at various normal stresses. Our results suggest that clay

  17. Asymmetrically substituted 5,5 `-bistriazoles - nitrogen-rich materials with various energetic functionalities

    OpenAIRE

    Dippold, Alexander A.; Klapötke, Thomas M.; Oswald, Michaela

    2013-01-01

    In this contribution the synthesis and full structural and spectroscopic characterization of three asymmetrically substituted bis-1,2,4-triazoles, along with different energetic moieties like amino, nitro, nitrimino and azido moieties, is presented. Additionally, selected nitrogen-rich ionic derivatives have been prepared and characterized. This comparative study on the influence of these energetic moieties on structural and energetic properties constitutes a complete characterization includi...

  18. Materiality of a simulation: Scratch reading machine, 1931

    Directory of Open Access Journals (Sweden)

    Craig Saper

    2009-12-01

    Full Text Available Using Bob Brown's reading machine and the prepared texts for his machine, called readies, both designed in 1930, as an example of scratch turntablist techniques, suggests an alternative to narrow definitions of literacy and new ways to appreciate the history of scratch techniques. Brown's machine resembles the turntablist’s ability to rapidly shift reading (its direction, speed, and repetition rather than slowly flipping the pages of a book. Punctuation marks, in the readies, become visual analogies. For movement we see em-dashes (— that also, by definition, indicate that the sentence was interrupted or cut short. The old uses of punctuation, such as employment of periods to mark the end of a sentence, disappear. The result looks like a script for a turntablist’s performance, and dj Herc starts to sound like a reading teacher. An online simulation of Brown's machine, http://www.readies.org, reproduce, or approximate, the motion, scratch, jerking, flickering, and visual effects produced or illuminated with the machine. Those supplemental aspects of reading are always already part of reading. The supplement (movement, visuality, mechanicity to traditional notions of literacy usually remain part of an implicate process. The reading machine and scratch techniques are not simply a new conduit for the same supposedly natural process. The scratch reading highlights what Jacques Derrida calls the "virtual multimedia" (of reading print on paper. The increasing prevalence, even omnipresent and [to some critics] epidemic, use of text(ing machines, something outside or beside traditional literacy, the scratch-meaning becomes foregrounded. Brown's machine puts the natural process of reading under erasure or scratch (simply by adjusting the speed, direction, and layout. dj Herc did the same for music.

  19. Artificial Molecular Machine Immobilized Surfaces: A New Platform To Construct Functional Materials.

    Science.gov (United States)

    Zhang, Qi; Qu, Da-Hui

    2016-06-17

    Artificial molecular machines have received significant attention from chemists because of their unique ability to mimic the behaviors of biological systems. Artificial molecular machines can be easily modified with functional groups to construct new types of functional molecular switches. However, practical applications of artificial molecular machines are still challenging, because the working platform of artificial molecular machines is mostly in solution. Artificial molecular machine immobilized surfaces (AMMISs) are considered a promising platform to construct functional materials. Herein, we provide a minireview of some recent advances of functional AMMISs. The functions of AMMISs are highlighted and strategies for their construction are also discussed. Furthermore, a brief perspective of the development of artificial molecular machines towards functional materials is given.

  20. Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.

    Science.gov (United States)

    Ye, Chengfeng; Gard, Gary L; Winter, Rolf W; Syvret, Robert G; Twamley, Brendan; Shreeve, Jean'ne M

    2007-09-13

    1-Pentafluorosulfanyl acetylene and its derivatives react with azide or diazomethane giving rise to an SF5-substituted 1,2,3-triazole or pyrazole. The SF5 group increases density remarkably and as a result enhances the detonation performance of the energetic materials relative to the CF3 group.

  1. Hot spots in energetic materials generated by infrared and ultrasound, detected by thermal imaging microscopy.

    Science.gov (United States)

    Chen, Ming-Wei; You, Sizhu; Suslick, Kenneth S; Dlott, Dana D

    2014-02-01

    We have observed and characterized hot spot formation and hot-spot ignition of energetic materials (EM), where hot spots were created by ultrasonic or long-wavelength infrared (LWIR) exposure, and were detected by high-speed thermal microscopy. The microscope had 15-20 μm spatial resolution and 8.3 ms temporal resolution. LWIR was generated by a CO2 laser (tunable near 10.6 μm or 28.3 THz) and ultrasound by a 20 kHz acoustic horn. Both methods of energy input created spatially homogeneous energy fields, allowing hot spots to develop spontaneously due to the microstructure of the sample materials. We observed formation of hot spots which grew and caused the EM to ignite. The EM studied here consisted of composite solids with 1,3,5-trinitroperhydro-1,3,5-triazine crystals and polymer binders. EM simulants based on sucrose crystals in binders were also examined. The mechanisms of hot spot generation were different with LWIR and ultrasound. With LWIR, hot spots were most efficiently generated within the EM crystals at LWIR wavelengths having longer absorption depths of ∼25 μm, suggesting that hot spot generation mechanisms involved localized absorbing defects within the crystals, LWIR focusing in the crystals or LWIR interference in the crystals. With ultrasound, hot spots were primarily generated in regions of the polymer binder immediately adjacent to crystal surfaces, rather than inside the EM crystals.

  2. Ignition analysis of a porous energetic material. 2. Ignition at a closed heated end

    Energy Technology Data Exchange (ETDEWEB)

    Alexander M. Telegentor; Stephen B. Margolis; Forman A. Williams

    1998-11-01

    A continuation of an ignition analysis for porous energetic materials subjected to a constant energy flux is presented. In the first part, the analysis was developed for the case of an open-end, semi-infinite material such that gas flow, generated by thermal expansion, flowed out of the porous solid, thereby removing energy from the system. In the present study, the case of a closed end is considered, and thus the thermally-induced gas flow is now directed into the solid. In these studies, an asymptotic perturbation analysis, based on the smallness of the gas-to-solid density ratio and the largeness of the activation energy, is utilized to describe the inert and transition stages leading to thermal runaway. In both cases it is found that the effects of porosity provide a leading-order reduction in the time to ignition relative to that for the nonporous problem, arising from the reduced amount of solid material that must be heated and the difference in thermal conductivities of the solid and gaseous phases. A correction to the leading-order ignition-delay time, however, is provided by the convective flow of gas through the solid, and the sign of this correction is shown to depend on the direction of the gas flow. Thus, gas flowing out of an open-end solid was previously shown to give a positive correction to the leading-order time to ignition. Here, however, it is demonstrated that when the flow of gas is directed into the porous solid, the relative transport effects associated with the gas flow serve to preheat the material, resulting in a negative correction and hence a decrease in the ignition-delay time.

  3. Stability of quasi-steady deflagrations in confined porous energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Alexander M. Telengator; Stephen B. Margolis; Forman A. Williams

    2000-03-01

    Previous analyses have shown that unconfined deflagrations propagating through both porous and nonporous energetic materials can exhibit a thermal/diffusive instability that corresponds to the onset of various oscillatory modes of combustion. For porous materials, two-phase-flow effects, associated with the motion of the gas products relative to the condensed material, play a significant role that can shift stability boundaries with respect to those associated with the nonporous problem. In the present work, additional significant effects are shown to be associated with confinement, which produces an overpressure in the burned-gas region that leads to reversal of the gas flow and hence partial permeation of the hot gases into the unburned porous material. This results in a superadiabatic effect that increases the combustion temperature and, consequently, the burning rate. Under the assumption of gas-phase quasi-steadiness, an asymptotic model is presented that facilitates a perturbation analysis of both the basic solution, corresponding to a steadily propagating planar combustion wave, and its stability. The neutral stability boundaries collapse to the previous results in the absence of confinement, but different trends arising from the presence of the gas-permeation layer are predicted for the confined problem. Whereas two-phase-flow effects are generally destabilizing in the unconfined geometry, the effects of increasing overpressure and hence combustion temperature associated with confinement are shown to be generally stabilizing with respect to thermal/diffusive instability, analogous to the effects of decreasing heat losses on combustion temperature and stability in single-phase deflagrations.

  4. WATER-JET CUTTING MACHINE NOW AVAILABLE FROM THE CERN RAW MATERIALS STORES

    CERN Document Server

    2007-01-01

    The CERN Raw Materials Stores has recently acquired a new water-jet cutting machine. The machine is capable of cutting all types and shapes of materials up to 70 mm in thickness, with an accuracy of +/- 0.1mm/m. For the time being, users requiring materials to be cut should supply drawings in DXF, DWG or IGES (AutoCad) file format. The machine will be operational as of 1st October 2007. The Stores Team Paulo Dos Santos FI-LS-MM 72308

  5. WATER-JET CUTTING MACHINE NOW AVAILABLE FROM THE CERN RAW MATERIALS STORES

    CERN Multimedia

    2007-01-01

    The CERN Raw Materials Stores has recently acquired a new water-jet cutting machine. The machine is capable of cutting all types and shapes of materials up to 70 mm in thickness, with an accuracy of +/- 0.1mm/m. For the time being, users requiring materials to be cut should supply drawings in DXF, DWG or IGES (AutoCad) file format. The machine will be operational as of 1st October 2007. The Stores Team Paulo Dos Santos FI-LS-MM 72308

  6. Crystal engineering of energetic materials: co-crystals of Ethylenedinitramine (EDNA) with modified performance and improved chemical stability.

    Science.gov (United States)

    Aakeröy, Christer B; Wijethunga, Tharanga K; Desper, John

    2015-07-27

    In the area of energetic materials, co-crystallization is emerging as a new technology for modifying or enhancing the properties of existing energetic substances. Ethylenedinitramine (EDNA) is a known energetic material which requires attention partly due to its chemical instability originating with its two highly acidic protons. In order to stabilize EDNA, a co-crystallization approach targeting the acidic protons using a series of co-crystallizing agents with suitable hydrogen-bond acceptors was employed. Fifteen attempted co-crystallizations resulted in eight successful outcomes and six of these were crystallographically characterized and all showed evidence of hydrogen bonds to the intended protons. Calculated detonation properties and experimental thermal and impact data for the co-crystals were obtained and compared with those of pure EDNA. The co-crystal of EDNA and 1,2-bis(4-pyridyl)ethylene was recognized as a more thermally stable alternative to EDNA while the co-crystal of EDNA and pyrazine N,N'-dioxide showed comparable detonation strengths (and much improved chemical stability) compared with that of EDNA. The co-crystals EDNA:4,4'-bipyridine and EDNA:pyrazine N,N'-dioxide were found to be about 50 % less impact sensitive than EDNA, all of which illustrate how co-crystallizations can be utilized for successfully modifying specific aspects of energetic materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Design and production of a novel sand materials strength testing machine for foundry applications

    DEFF Research Database (Denmark)

    Nwaogu, Ugochukwu Chibuzoh; Hansen, K. S.; Tiedje, Niels Skat

    2012-01-01

    In the foundry, existing strength testing machines are used to measure only the maximum fracture strength of mould and core materials. With traditionally used methods, the loading history to ascertain deformation of the material is not available. In this paper, a novel moulding material strength...... testing machine was designed and built for both green sand and chemically-bonded sand materials. This machine measures and presents the loading response as a force-displacement profile from which the mechanical properties of the moulding materials can be deduced. The system was interfaced to a computer....... The force was calibrated using an Amsler Hydraulic Press while the displacements were calibrated with and without loading using a displacement calibrator (Heidenhain Digitaler). The calibration results showed that the data obtained are stable and reliable and the machine can be used for the measurement...

  8. Excited Electronic and Vibrational State Decomposition of Energetic Materials and Model Systems on Both Nanosecond and Femtosecond Time Scales

    Science.gov (United States)

    2014-07-22

    behavior of these species is then compared with that of very similar model systems in order to enable the synthesis of new materials that will be...systems in order to enable the synthesis of new materials that will be energetic by design. This must be the first step in the determination of the unique...1,2,4- triazole -1,1’-diol, respectively), following electronic state excitation, is investigated both experimentally and theoretically. Different from

  9. Energetics Conditioning Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetics Conditioning Facility is used for long term and short term aging studies of energetic materials. The facility has 10 conditioning chambers of which 2...

  10. Energetics Conditioning Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetics Conditioning Facility is used for long term and short term aging studies of energetic materials. The facility has 10 conditioning chambers of which 2...

  11. Development and Application of Rare Earth Permanent Magnet (REPM) Material in Electric Machines

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    With the development of permanent materials, the development and application of permanent material electric machine (REPM) have been more mature. At first the state of development and application of REPM electric machine is presented in this paper, many RMEM have been produced in volume such as the pilot exciter used for power set of large-scale thermal power station, the special RMEM synchronous motor for textile, the starter motor for automobile, the brushless permanent magnet DC motor for electric facilities, permanent magnet servomotor for numerical controlled machine tool, rare-earth torque motor, special micro-motor for automobile and so on. Secondly the field of application of REPM electric machine and remaining problems is analyzed, because of the price of the rare-earth permanent magnet materials, the cost of RMEM is currently higher than that of induction machine, on the other side the dispersibility of performance of rare-earth permanent magnet materials and the limitation of technique of integral excitation are also remaining problems, above-mentioned problems handicapped the popularization of REPMEM. At last the developing prospect and trend of REPM electric machines is described, there are four promising types of PMEM: economical type, high performance type, high efficiency and energy-saving type, micromation, intelligibility type. With the appearance of new REPM material and the improvement of its performance and the continuous perfection of performance of electric-power electronic components, the development and the application of REPM electric machines will be further progressed.

  12. The potential, limitations, and challenges of divide and conquer quantum electronic structure calculations on energetic materials.

    Energy Technology Data Exchange (ETDEWEB)

    Tucker, Jon R.; Magyar, Rudolph J.

    2012-02-01

    High explosives are an important class of energetic materials used in many weapons applications. Even with modern computers, the simulation of the dynamic chemical reactions and energy release is exceedingly challenging. While the scale of the detonation process may be macroscopic, the dynamic bond breaking responsible for the explosive release of energy is fundamentally quantum mechanical. Thus, any method that does not adequately describe bonding is destined to lack predictive capability on some level. Performing quantum mechanics calculations on systems with more than dozens of atoms is a gargantuan task, and severe approximation schemes must be employed in practical calculations. We have developed and tested a divide and conquer (DnC) scheme to obtain total energies, forces, and harmonic frequencies within semi-empirical quantum mechanics. The method is intended as an approximate but faster solution to the full problem and is possible due to the sparsity of the density matrix in many applications. The resulting total energy calculation scales linearly as the number of subsystems, and the method provides a path-forward to quantum mechanical simulations of millions of atoms.

  13. Thermally stable 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic materials.

    Science.gov (United States)

    Zhang, Jiaheng; Parrish, Damon A; Shreeve, Jean'ne M

    2014-10-01

    3,6-Dinitropyrazolo[4,3-c]pyrazole was prepared using an efficient modified process. With selected cations, ten nitrogen-rich energetic salts and three metal salts were synthesized in high yield based on the 3,6-dinitropyrazolo[4,3-c]pyrazolate anion. These compounds were fully characterized by IR and multinuclear NMR spectroscopies, as well as elemental analyses. The structures of the neutral compounds 4 and its salt 16 were confirmed by single-crystal X-ray diffraction showing extensive hydrogen-bonding interactions. The neutral pyrazole precursor and its salts are remarkably thermally stable. Based on the calculated heats of formation and measured densities, detonation pressures (22.5-35.4 GPa) and velocities (7948-9005 m s(-1)) were determined, and they compare favorably with those of TNT and RDX. Their impact and friction sensitivities range from 12 to >40 J and 80 to 360 N, respectively. These properties make them competitive as insensitive and thermally stable high-energy density materials. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Energetic materials identification by laser-induced breakdown spectroscopy combined with artificial neural network.

    Science.gov (United States)

    Farhadian, Amir Hossein; Tehrani, Masoud Kavosh; Keshavarz, Mohammad Hossein; Darbani, Seyyed Mohammad Reza

    2017-04-20

    In this study, for the first time to the best of our knowledge, a combination of the laser-induced breakdown spectroscopy (LIBS) technique and artificial neural network (ANN) analysis has been implemented for the identification of energetic materials, including TNT, RDX, black powder, and propellant. Also, aluminum, copper, inconel, and graphite have been used for more accurate investigation and comparison. After the LIBS test and spectrum acquisition on all samples in both air and argon ambient, optimized neural networks were designed by LIBS data. Based on input data, three ANN algorithms are proposed: the first is fed with the whole LIBS spectra in air (ANN1) and the second with the principle component analysis (PCA) scores of each spectrum in air (ANN2) and the other with the PCA scores of the spectrum in Ar (ANN3). According to the results, error of the network is very low in ANN2 and 3 and the best identification and discrimination was obtained by ANN3. After these, in order to validate and for more investigation of this combined method, we also used Al/RDX standard samples for analysis.

  15. Detection of highly energetic materials on non-reflective substrates using quantum cascade laser spectroscopy.

    Science.gov (United States)

    Castro-Suarez, John R; Hidalgo-Santiago, Migdalia; Hernández-Rivera, Samuel P

    2015-09-01

    A quantum cascade laser spectrometer was used to obtain the reflection spectra of highly energetic materials (HEMs) deposited on nonideal, low-reflectivity substrates, such as travel-bag fabric (polyester), cardboard, and wood. Various deposition methods were used to prepare the standards and samples in the study. The HEMs used were the nitroaromatic explosive 2,4,6-trinitrotoluene (TNT), the aliphatic nitrate ester pentaerythritol tetranitrate (PETN), and the aliphatic nitramine 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). Chemometrics algorithms were applied to analyze the recorded spectra. Partial least squares (PLS) regression analysis was used to find the best correlation between the infrared signals and the surface concentrations of the samples, and PLS combined with discriminant analysis (PLS-DA) was used to discriminate, classify, and identity similarities in the spectral datasets. Several preprocessing steps were applied to prepare the mid-infrared spectra of HEMs deposited on the target substrates. The results demonstrate that the infrared vibrational method described in this study is well suited for the rapid screening analysis of HEMs on low-reflectivity substrates when a supervised model has been previously constructed or when a reference spectrum of the clean substrate can be acquired to be subtracted from the HEM-substrate spectrum.

  16. Analysis of selected specimens from the STS-46 Energetic Oxygen Interaction with Materials-3 experiment

    Science.gov (United States)

    Golden, Johnny L.; Bourassa, Roger J.; Dursch, Harry W.; Pippin, H. Gary

    1995-01-01

    The Energetic Oxygen Interaction with Materials 3 (EOIM-3) experiment was flown on the STS-46 mission, which was launched on 31 Jul. 1992 and returned 8 Aug. 1992. Boeing specimens were located on both the NASA Marshall Space Flight Center (MSFC) tray and the Ballistic Missile Defense Organization (BMDO) tray integrated by the Jet Propulsion Laboratory (JPL). The EOIM-3 pallet was mounted in the Space Shuttle payload bay near the aft bulkhead. During the mission, the atomic oxygen (AO) exposure levels of specimens in these passive sample trays was about 2.3 x 10(exp 20) atoms/sq cm. The specimens also received an estimated 22 equivalent sun hours of solar exposure. In addition, it appears that the EOIM-3 pallet was exposed to a silicone contamination source and many specimens had a thin layer of silicon based deposit on their surfaces after the flight. The specimens on the MSFC tray included seven solid film lubricants, a selection of butyl rubber (B612) and silicone (S383) o-rings, three indirect scatter surfaces, and Silver/Fluorinated Ethylene Propylene (Ag/FEP) and Chemglaze A276 specimens which had previously flown on trailing edge locations of the Long Duration Exposure Facility (LDEF). The specimens on the JPL tray included composites previously flown on LDEF and two indirect scattering surfaces.

  17. Effects of bimetallic catalysts on synthesis of nitrogen-doped carbon nanotubes as nanoscale energetic materials

    Institute of Scientific and Technical Information of China (English)

    Hao Liu; Yong Zhang; Ruying Li; Xueliang Sun; Hakima Abou-Rachid

    2011-01-01

    Well aligned nitrogen-doped carbon nanotubes (CNx-NTs),as energetic materials,are synthesized on a silicon substrate by aerosol-assisted chemical vapor deposition.Tungsten (W) and molybdenum (Mo) metals are respectively introduced to combine with iron (Fe) to act as a bimetallic co-catalyst layer.Correlations between the composition and shape of the co-catalyst and morphology,size,growth rate and nitrogen doping amount of the synthesized CNx-NTs are investigated by secondary and backscattered electron imaging in a field emission scanning electron microscope (FESEM) and X-ray photoelectron spectrometer (XPS).Compared to pure iron catalyst.W-Fe co-catalyst can result in lower growth rate,larger diameter and wider size distribution of the CNx-NTs; while incorporation of molybdenum into the iron catalyst layer can reduce the diameter and size distribution of the nanotubes.Compared to the sole iron catalyst,Fe-W catalyst impedes nitrogen doping while Fe-Mo catalyst promotes the incorporation of nitrogen into the nanotubes.The present work indicates that CNx-NTs with modulated size,growth rate and nitrogen doping concentration are expected to be synthesized by tuning the size and composition of co-catalysts,which may find great potential in producing CNx-NTs with controlled structure and properties.

  18. Explosive Compations of Intermetallic-Forming Powder Mixtures for Fabricating Structural Energetic Materials

    Science.gov (United States)

    Du, S. W.; Aydelotte, B.; Fondse, D.; Wei, C.-T.; Jiang, F.; Herbold, E.; Vecchio, K.; Meyers, M. A.; Thadhani, N. N.

    2009-12-01

    A double-tube implosion geometry is used to explosively shock consolidate intermetallic-forming Ni-Al, Ta-Al, Nb-Al, Mo-Al and W-Al powder mixtures for fabricating bulk structural energetic materials, with mechanical strength and ability to undergo impact-initiated exothermic reactions. The compacts are characterized based on uniformity of micro structure and degree of densification. Mechanical properties of the compacts are characterized over the strain-rate range of 10-3 to 104 s-1. The impact reactivity is determined using rod-on-anvil experiments, in which disk-shaped compacts mounted on a copper projectile, are impacted against a steel anvil in using a 7.62 mm gas gun. The impact reactivity of the various explosively-consolidated reactive powder mixture compacts is correlated with overall kinetic energy and impact stress to determine their influence on threshold for reaction initiation. The characteristics of the various compacts, their mechanical properties and impact-initiated chemical reactivity will be described in this paper.

  19. Engineering artificial machines from designable DNA materials for biomedical applications.

    Science.gov (United States)

    Qi, Hao; Huang, Guoyou; Han, Yulong; Zhang, Xiaohui; Li, Yuhui; Pingguan-Murphy, Belinda; Lu, Tian Jian; Xu, Feng; Wang, Lin

    2015-06-01

    Deoxyribonucleic acid (DNA) emerges as building bricks for the fabrication of nanostructure with complete artificial architecture and geometry. The amazing ability of DNA in building two- and three-dimensional structures raises the possibility of developing smart nanomachines with versatile controllability for various applications. Here, we overviewed the recent progresses in engineering DNA machines for specific bioengineering and biomedical applications.

  20. Materials and Fabrication Issues for Large Machined Germanium Immersion Gratings

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmenko, P J; Davis, P J; Little, S L; Hale, L C

    2006-05-22

    LLNL has successfully fabricated small (1.5 cm{sup 2} area) germanium immersion gratings. We studied the feasibility of producing a large germanium immersion grating by means of single point diamond flycutting. Our baseline design is a 63.4o blaze echelle with a 6 cm beam diameter. Birefringence and refractive index inhomogeneity due to stresses produced by the crystal growth process are of concern. Careful selection of the grating blank and possibly additional annealing to relieve stress will be required. The Large Optics Diamond Turning Machine (LODTM) at LLNL is a good choice for the fabrication. It can handle parts up to 1.5 meter in diameter and 0.5 meter in length and is capable of a surface figure accuracy of better than 28 nm rms. We will describe the machine modifications and the machining process for a large grating. A next generation machine, the Precision Optical Grinder and Lathe (POGAL), currently under development has tighter specifications and could produce large gratings with higher precision.

  1. Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials.

    Science.gov (United States)

    Tsyshevsky, Roman V; Sharia, Onise; Kuklja, Maija M

    2016-02-19

    This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

  2. Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

    Directory of Open Access Journals (Sweden)

    Roman V. Tsyshevsky

    2016-02-01

    Full Text Available This review presents a concept, which assumes that thermal decomposition processes play a major role in defining the sensitivity of organic energetic materials to detonation initiation. As a science and engineering community we are still far away from having a comprehensive molecular detonation initiation theory in a widely agreed upon form. However, recent advances in experimental and theoretical methods allow for a constructive and rigorous approach to design and test the theory or at least some of its fundamental building blocks. In this review, we analyzed a set of select experimental and theoretical articles, which were augmented by our own first principles modeling and simulations, to reveal new trends in energetic materials and to refine known existing correlations between their structures, properties, and functions. Our consideration is intentionally limited to the processes of thermally stimulated chemical reactions at the earliest stage of decomposition of molecules and materials containing defects.

  3. Disposal of energetic materials by alkaline pressure hydrolysis and combined techniques

    Energy Technology Data Exchange (ETDEWEB)

    Bunte, G.; Krause, H.H.; Hirth, T. [Fraunhofer-Institut fuer Chemische Technologie (ICT), Pfinztal-Berghausen (Germany)

    1997-07-01

    Due to the reduction of armament and especially due to the German reunification we are met by objective of the diposal of energetic materials. Environmentally friendly disposal methods available for the different propellants, explosives and pyrotechnics are urgently needed. The main component of gun and rocket propellants is the energetic polymer nitrocellulose. One method to dispose nitrocellulose containing propellants is the combination of rapid chemical destruction by pressure hydrolysis and the biological degradation of the reaction mixture. The study describes the results of pressure hydrolysis of different gun and rocket propellants. Under alkaline conditions (propellant to NaOH ratio 2.3:1; reaction temperature 150 C; pressure below 30 bar) biological degradable reaction products were formed. The main products in the liquid phase were simple mono- and dicarboxylic acids. Dependent on the reaction conditions 30-50% of the nitrogen content of the propellants was transformed to nitrite and nitrate. The gaseous nitrogen containing products were N{sub 2} (16-46%), N{sub 2}O (2-23%), NO{sub x} (0-5%). Overall 40%-60% of the propellant nitrogen was transformed to gaseous products. In the solid residues a nitrogen content between 2% and 9% was found. The residues were mostly due to additives used in propellant manufacturing. In the case of nitrocellulose pressure hydrolysis below 30 bar and reaction temperature about 150 C are sufficient. (orig.) [Deutsch] Nicht zuletzt aufgrund der in den letzten Jahren erfolgten Abruestungsmassnahmen sowie auch der Wiedervereinigung beider deutscher Staaten ergab sich die Problematik der Entsorgung von energetischen Materialien. Alternativ zur Verbrennung besteht Bedarf an der Entwicklung von Entsorgungsverfahren, die eine umweltfreundliche Entsorgung von Treibladungspulvern, Raketenfesttreibstoffen oder pyrotechnischen Komponenten ermoeglichen. Eine interessante Methode zur Beseitigung von auf Nitrocellulose basierenden

  4. Thermo-energetic design of machine tools a systemic approach to solve the conflict between power efficiency, accuracy and productivity demonstrated at the example of machining production

    CERN Document Server

    2015-01-01

    The approach to the solution within the CRC/TR 96 financed by the German Research Foundation DFG aims at measures that will allow manufacturing accuracy to be maintained under thermally unstable conditions with increased productivity, without an additional demand for energy for tempering. The challenge of research in the CRC/TR 96 derives from the attempt to satisfy the conflicting goals of reducing energy consumption and increasing accuracy and productivity in machining. In the current research performed in 19 subprojects within the scope of the CRC/TR 96, correction and compensation solutions that influence the thermo-elastic machine tool behaviour efficiently and are oriented along the thermo-elastic functional chain are explored and implemented. As part of this general objective, the following issues must be researched and engineered in an interdisciplinary setting and brought together into useful overall solutions:   1.  Providing the modelling fundamentals to calculate the heat fluxes and the resulti...

  5. Efficient production by laser materials processing integrated into metal cutting machines

    Science.gov (United States)

    Wiedmaier, M.; Meiners, E.; Dausinger, Friedrich; Huegel, Helmut

    1994-09-01

    Beam guidance of high power YAG-laser (cw, pulsed, Q-switched) with average powers up to 2000 W by flexible glass fibers facilitates the integration of the laser beam as an additional tool into metal cutting machines. Hence, technologies like laser cutting, joining, hardening, caving, structuring of surfaces and laser-marking can be applied directly inside machining centers in one setting, thereby reducing the flow of workpieces resulting in a lowering of costs and production time. Furthermore, materials with restricted machinability--especially hard materials like ceramics, hard metals or sintered alloys--can be shaped by laser-caving or laser assisted machining. Altogether, the flexibility of laser integrated machining centers is substantially increased or the efficiency of a production line is raised by time-savings or extended feasibilities with techniques like hardening, welding or caving.

  6. Nitramines with varying sensitivities: functionalized dipyrazolyl-N-nitromethanamines as energetic materials.

    Science.gov (United States)

    Zhang, Jiaheng; He, Chunlin; Parrish, Damon A; Shreeve, Jean'ne M

    2013-07-01

    1,3-Dichloro-2-nitro-2-azapropane is an excellent precursor to dense energetic functionalized dipyrazolyl-N-nitromethanamines. This new family of energetic compounds was fully characterized by using (1)H, (13)C, and (15)N NMR and IR spectroscopy, differential scanning calorimetry, elemental analysis, and impact sensitivity tests. Additionally, single-crystal X-ray structuring was done for 3 and 5·CH3CN, which gave insight into structural characteristics. The experimentally determined densities of 2-9 fall between 1.69 and 1.90 g cm(-3). Heats of formation and detonation properties were calculated by using Gaussian 03 and EXPLO5 programs, respectively. The influence of different energetic moieties on the structural and energetic properties was established theoretically. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Properties of heterogeneous energetic materials under high strain, high strain rate deformation

    Science.gov (United States)

    Cai, Jing

    Heterogeneous energetic materials have many applications. Their dynamic behavior and microstructural evolution upon plastic deformation have remained not fully understood. The following heterogeneous materials were investigated in the this study: the pure PTFE (usually a mixture of crystalline and amorphous phases), PTFE-Sn, PTFE-Al, PTFE-Al-W, and carbon fibers filled Al alloy. Sample manufacturing processes involving ball milling and Cold Isostatic Pressing were employed. Quasi-static and Hopkinson bar tests were carried out to obtain the compressive strengths of composites. The Conventional Thick-walled Cylinder (TWC) method and newly developed small-scale Hopkinson bar based TWC experiments were conducted to investigate single shear bands and their assembly. Conventional and "soft" drop-weight tests were performed to examine the mechanical properties and the initiation of chemical reactions. Scanning Electron Microscopy was used to detect the details of the microstructures and failure mechanisms of heterogeneous materials. New features in the dynamic behavior of heterogeneous materials were observed. They include the following: (1) Strain softening, instead of thermal softening, is the main mechanism in the initiation of shear bands in explosively driven TWC tests of solid PTFE. (2) Cold isostatically pressed PTFE-Sn samples were more stable with respect to shear localization than solid PTFE. (3) The dynamic collapse of solid PTFE-Al samples with different particle sizes was accomplished with the shear localization bands and cracks. (4) Force chains in the fine W and Al particles were attributed to the high strength of the porous PTFE-Al-W composite containing fine W particles in comparison with composites with coarse W particles. (5) Debonding of metal particles from the PTFE matrix and the fracture of the matrix were identified to be two major mechanisms for the failure of the PTFE-Al-W composites. (6) The formation of PTFE nano-fibers during high strain flow

  8. Synthesis of one-molecule-thick single-crystalline nanosheets of energetic material for high-sensitive force sensor.

    Science.gov (United States)

    Yang, Guangcheng; Hu, Hailong; Zhou, Yong; Hu, Yingjie; Huang, Hui; Nie, Fude; Shi, Weimei

    2012-01-01

    Energetic material is a reactive substance that contains a great amount of potential energy, which is extremely sensitive to external stimuli like force. In this work, one-molecule-thick single-crystalline nanosheets of energetic material were synthesized. Very small force applied on the nanosheet proves to lead to the rotation of the tilted nitro groups, and subsequently change of current of the nanosheet. We apply this principle to design high-sensitive force sensor. A theoretical model of force-current dependence was established based on the nanosheets' molecular packing structure model that was well supported with the high resolution XPS, AFM analysis results. An ultra-low-force with range of several picoNewton to several nanoNewton can be measured by determination of corresponding current value.

  9. Collapse of elongated voids in porous energetic materials: Effects of void orientation and aspect ratio on initiation

    Science.gov (United States)

    Rai, Nirmal Kumar; Schmidt, Martin J.; Udaykumar, H. S.

    2017-04-01

    The sensitivity of porous energetic materials depends on mesostructural heterogeneities such as voids, defects, cracks, and grain boundaries. The mesostructure of pressed explosives contains voids of arbitrary shapes including elongated voids of various orientations and aspect ratios. Mesoscale simulations to date have analyzed the effect of void morphology on the sensitivity of energetic materials for idealized shapes such as cylindrical, conical, and elliptical. This work analyzes the sensitivity behavior of elongated voids in an HMX matrix subject to shock loading. Simulations show that sensitivity of elongated voids depends strongly on orientation as well as aspect ratio. Ranges of orientations and aspects ratios are identified that enhance or inhibit initiation. Insights obtained from single elongated void analyses are used to identify sensitive locations in an imaged mesostructure of a pressed explosive sample.

  10. Theoretical Study of the N-NO2 Bond Dissociation Energies for Energetic Materials with Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Hong; TANG Zheng-Xin; Abraham F.Jalbout; ZHANG Xian-Zhou; CHENG Xin-Lu

    2008-01-01

    The N-NO2 bond dissociation energies (BDEs) for 7 energetic materials were computed by means of accurate density functional theory (B3LYP, B3PW91 and B3P86) with 6-31G** and 6-311G** basis sets. By comparing the computed energies and experimental results, we find that the B3P86/6-311G** method can give good results of BDE, which has the mean absolute deviation of 1.30 kcal/mol. In addition, substituent effects were also taken into account. It is noted that the Hammett constants of substituent groups are related to the BDEs of the N-NO2 bond and the bond dissociation energies of the energetic materials studied decrease when increasing the number of NO2 group.

  11. Specification Requirement for Thermal Stability of Sintered NdFeB Materials for Electrical Machines

    Institute of Scientific and Technical Information of China (English)

    Lin Yan; Jiang Daiwei; Chen Lixiang; Chen Hailing; Bi Haitao; Tang Renyuan

    2004-01-01

    Based on IEC standards and Chinese national standards of sintered NdFeB materials, in the paper the hightemperature, room-temperature properties and thermal stability of about one hundred samples of NdFeB materials for electrical machines were measured and analyzed.These materials are produced by ten representative manufactories in China.Combined with the analysis results, the paper points out that the magnetic properties of sintered NdFeB materials for electrical machines should meet not only the specific values in standards, such as Br, (BH)max ,HcJ ,but also the requirement of temperature coefficients a (Br) , a (HcJ).

  12. Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials.

    Science.gov (United States)

    Cai, Y; Zhao, F P; An, Q; Wu, H A; Goddard, W A; Luo, S N

    2013-10-28

    hotspot formation related to initiation in energetic materials, in the absence of other, likely more effective, means for hotspot formation such as void collapse.

  13. Determination of nitroaromatic and nitramine type energetic materials in synthetic and real mixtures by cyclic voltammetry.

    Science.gov (United States)

    Üzer, Ayşem; Sağlam, Sener; Tekdemir, Yasemin; Ustamehmetoğlu, Belkıs; Sezer, Esma; Erçağ, Erol; Apak, Reşat

    2013-10-15

    Nitro-explosives contain reducible aromatic -NO2 groups or cyclic >N-NO2 bonds that may undergo reductive cleavage. This work reports the development of a cyclic voltammetric (CV) assay for nitro-aromatics (trinitrotoluene (TNT), dinitrotoluene (DNT)) and nitramines (1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)) using a glassy carbon electrode. This determination was first used for these energetic materials by resolving current responses of reduction potentials primarily due to one constituent but partly contributed by other constituents. Calibration curves of current intensity versus concentration were linear in the range of 30-120 mg L(-1) for RDX with a limit of detection (LOD) of 10.2 mg L(-1), 40-120 mg L(-1) for HMX (LOD=11.7 mg L(-1)), 40-120 mg L(-1) for TNT (LOD=11.2 mg L(-1)), and 40-140 mg L(-1) for DNT (LOD=10.8 mg L(-1)). Results showed that the CV method could provide a sensitive approach for the simultaneous determination of RDX and TNT in synthetic and real mixtures. Deconvolution of current contributions of mixtures at peak potentials of constituents was performed by multiple linear regression. The proposed method was successfully applied to the analysis of military explosives comp A5 and octol, and method validation was performed both against HPLC on a comp B (TNT+RDX) sample and against GC-MS on real post-blast residual samples containing both explosives.

  14. Inhibition of soil microbial activity by nitrogen-based energetic materials.

    Science.gov (United States)

    Kuperman, Roman G; Minyard, Morgan L; Checkai, Ronald T; Sunahara, Geoffrey I; Rocheleau, Sylvie; Dodard, Sabine G; Paquet, Louise; Hawari, Jalal

    2017-05-18

    We investigated individual toxicities of the nitrogen-based energetic materials (EMs) 2,4-dinitrotoluene (2,4-DNT); 2-amino-4,6-dinitrotoluene (2-ADNT); 4-amino-2,6-dinitrotoluene (4-ADNT); and nitroglycerin (NG) on microbial activity in Sassafras sandy loam (SSL) soil, which has physicochemical characteristics that support very high qualitative relative bioavailability for organic chemicals. Batches of SSL soil for basal respiration (BR) and substrate-induced respiration (SIR) assays were separately amended with individual EMs or acetone carrier control. Total microbial biomass carbon (biomass C) was determined from CO2 production increases after addition of 2500 mg/kg of glucose-water slurry to the soil. Exposure concentrations of each EM in soil were determined using US Environmental Protection Agency method 8330A. Basal respiration was the most sensitive endpoint for assessing the effects of nitroaromatic EMs on microbial activity in SSL, whereas SIR and biomass C were more sensitive endpoints for assessing the effects of NG in soil. The orders of toxicity (from greatest to least) were 4-ADNT > 2,4-DNT = 2-ADNT > NG for BR; but for SIR and biomass C, the order of toxicity was NG > 2,4-DNT > 2-ADNT = 4-ADNT. No inhibition of SIR was found up to and including the greatest concentration of each ADNT tested in SSL. These ecotoxicological data will be helpful in identifying concentrations of contaminant EMs in soil that present acceptable ecological risks for biologically mediated processes in soil. Environ Toxicol Chem 2017;9999:1-10. Published 2017 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America. Published 2017 Wiley Periodicals Inc., on behalf of SETAC.

  15. Electric Spark Sensitivity of Polynitro Compounds. Part V. A Relationship between Electric Spark and Impact Sensitivities of Energetic Materials

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The spark energy, EES, required for 50 percent initiation probability of 41 polynitro compounds was determined. The relationships between the EES values and impact sensitivity, expressed as drop energies Ed of the "first reaction", were established and discussed. The conclusion is made that depending on intermolecular interaction factors in crystals of energetic materials, the mechanism of impact energy transition to the reaction centre of their molecule can be differ from that of transition of energy of electric spark.

  16. Toxicity of Nitro-Heterocyclic and Nitroaromatic Energetic Materials to Folsomia candida in a Natural Sandy Loam Soil

    Science.gov (United States)

    2015-04-01

    FOLSOMIA CANDIDA IN A NATURAL SANDY LOAM SOIL ECBC-TR-1272 Carlton T. Phillips Ronald T. Checkai Roman G. Kuperman Michael Simini Jan E...SUBTITLE Toxicity of Nitro-Heterocyclic and Nitroaromatic Energetic Materials to Folsomia candida in a Natural Sandy Loam Soil 5a. CONTRACT NUMBER 5b...2,4-dinitrotoluene (2,4-DNT) Folsomia candida octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) 2,6-dinitrotoluene

  17. Combining Gas Bearing and Smart Material Technologies for Improved Machine Performance Theory and Experiment

    DEFF Research Database (Denmark)

    Nielsen, Bo Bjerregaard

    in coordination with adjacent machine elements. This requires mechatronic machine elements, which combine traditional passive mechanical components with sensors, actuators, electronics and computer algorithms, which thereby become "self-acting" machine elements, e.g. the piezoelectric air foil bearing (PAFB). One...... foil placed between the top foil and bearing housing. The PAFB combines the traditional AFB with piezoelectric material incorporated into the top foil. This creates a link between the mechanical domain of the traditional machine element and the electrical domain, i.e., ultimately a computer. The thesis......), are created as a combination of AFB models and models of piezoelectric material and their constitutive equations. The model includes journal, air film, piezoelectric top foil (PTF), bump foil and electrical circuit. It takes non-linear effects resulting from the aerodynamic pressure into account allowing...

  18. Dancing with Energetic Nitrogen Atoms: Versatile N-Functionalization Strategies for N-Heterocyclic Frameworks in High Energy Density Materials.

    Science.gov (United States)

    Yin, Ping; Zhang, Qinghua; Shreeve, Jean'ne M

    2016-01-19

    Nitrogen-rich heterocycles represent a unique class of energetic frameworks featuring high heats of formation and high nitrogen content, which have generated considerable research interest in the field of high energy density materials (HEDMs). Although traditional C-functionalization methodology of aromatic hydrocarbons has been fully established, studies on N-functionalization strategies of nitrogen-containing heterocycles still have great potential to be exploited by virtue of forming diverse N-X bonds (X = C, N, O, B, halogen, etc.), which are capable of regulating energy performance and the stability of the resulting energetic compounds. In this sense, versatile N-functionalization of N-heterocyclic frameworks offers a flexible strategy to meet the requirements of developing new-generation HEDMs. In this Account, the role of strategic N-functionalization in designing new energetic frameworks, including the formation of N-C, N-N, N-O, N-B and N-halogen bonds, is emphasized. In the family of N-functionalized HEDMs, energetic derivatives, by virtue of forming N-C bonds, are the most widely used type due to the good nucleophilic capacity of most heterocyclic backbones. Although introduction of carbon tends to decrease energetic performance, significant improvement in material sensitivity makes this strategy attractive for safety concerns. More importantly, most "explosophores" can be readily introduced into the N-C linkage, thus providing a promising route to various HEDMs. Formation of additional N-N bonds typically gives rise to higher heats of formation, implying the potential enhancement in detonation performance. In many cases, the increased hydrogen bonding interactions within N-N functionalized heterocycles also improve thermal stability accordingly. Introduction of a single N,N'-azo bridge into several azole moieties leads to an extended nitrogen chain, demonstrating a new strategy for designing high-nitrogen compounds. The strategy of N-O functionalization

  19. QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations.

    Science.gov (United States)

    Zhang, Jianying; Chen, Gangling; Gong, Xuedong

    2017-06-01

    The quantitative structure-property relationship (QSPR) methodology was applied to describe and seek the relationship between the structures and energetic properties (and sensitivity) for some common energy compounds. An extended series of structural and energetic descriptors was obtained with density functional theory (DFT) B3LYP and semi-empirical PM3 approaches. Results indicate that QSPR model constructed using quantum descriptors can be applied to verify the confidence of calculation results compared with experimental data. It can be extended to predict the properties of similar compounds.

  20. High Efficiency Axial Deep Creep-Feed Grinding Machining Technology of Engineering Ceramics Materials

    Institute of Scientific and Technical Information of China (English)

    GUO Fang; ZHANG Baoguo; LU Hong; TIAN Xinli; WANG Jianquan; LI Fuqiang

    2012-01-01

    Axial deep creep-feed grinding machining technology is a high efficiency process method of engineering ceramics materials,which is an original method to process the cylindrical ceramics materials or hole along its axis.The analysis of axial force and edge fracture proved the cutting thickness and feed rate could be more than 5-10 mm and 200 mm/min respectively in once process,and realized high efficiency,low-cost process of engineering ceramics materials.Compared with high speed-deep grinding machining,this method is also a high efficiency machining technology of engineering ceramics materials as well as with low cost.In addition,removal mechanism analyses showed that both median/radial cracks and lateral cracks appeared in the part to be removed,and the processed part is seldom destroyed,only by adjusting the axial force to control the length of transverse cracks.

  1. Machine Shop Practice, 13-2. Military Curriculum Materials for Vocational and Technical Education.

    Science.gov (United States)

    Army Ordnance Center and School, Aberdeen Proving Ground, MD.

    This military-developed text consists of self-instructional materials dealing with the basic tools and equipment used in metalworking shops. Covered in the individual lessons are the following topics: materials and processes; shop mathematics; blueprint reading and sketching; handtools, measuring instruments, and basic metalworking machines;…

  2. 3,6-Dinitropyrazolo[4,3-c]pyrazole-Based Multipurpose Energetic Materials through Versatile N-Functionalization Strategies.

    Science.gov (United States)

    Yin, Ping; Zhang, Jiaheng; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-10-04

    A family of 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic compounds was synthesized by using versatile N-functionalization strategies. Subsequently, nine ionic derivatives of the N,N'-(3,6-dinitropyrazolo[4,3-c]pyrazole-1,4-diyl)dinitramidate anion were prepared by acid-base reactions and fully characterized by infrared, multinuclear NMR spectra, and elemental analysis. The structures of four of these compounds were further confirmed by single-crystal X-ray diffraction. Based on their different physical and detonation properties, these compounds exhibit promising potential as modern energetic materials and can be variously classified as green primary explosives, high-performance secondary explosives, fuel-rich propellants, and propellant oxidizers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Measurement and modeling of energetic-material mass transfer to soil-pore water - Project CP-1227 final technical report.

    Energy Technology Data Exchange (ETDEWEB)

    Stein, Joshua S.; Sallaberry, Cedric M.; Webb, Stephen Walter; Phelan, James M.; Hadgu, Teklu

    2006-05-01

    Military test and training ranges operate with live-fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low-order detonations also disperse solid-phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g., weather and geostratigraphy) contribute to groundwater pollution. This final report documents the results of experimental and simulation model development for evaluating mass transfer processes from solid-phase energetics to soil-pore water.

  4. Asymmetrically substituted 5,5'-bistriazoles--nitrogen-rich materials with various energetic functionalities.

    Science.gov (United States)

    Dippold, Alexander A; Klapötke, Thomas M; Oswald, Michaela

    2013-08-21

    In this contribution the synthesis and full structural and spectroscopic characterization of three asymmetrically substituted bis-1,2,4-triazoles, along with different energetic moieties like amino, nitro, nitrimino and azido moieties, is presented. Additionally, selected nitrogen-rich ionic derivatives have been prepared and characterized. This comparative study on the influence of these energetic moieties on structural and energetic properties constitutes a complete characterization including IR, Raman and multinuclear NMR spectroscopy. Single crystal X-ray crystallographic measurements were performed and provide insight into structural characteristics as well as inter- and intramolecular interactions. The standard enthalpies of formation were calculated for all compounds at the CBS-4M level of theory, revealing highly positive heats of formation for all compounds. The detonation parameters were calculated using the EXPLO5 program and compared to the common secondary explosive RDX as well as recently published symmetric bistriazoles. As expected, the measured sensitivities to mechanical stimuli and decomposition temperatures strongly depend on the energetic moiety of the triazole ring. All compounds were characterized in terms of sensitivities (impact, friction, electrostatic) and thermal stabilities, the ionic derivatives were found to be thermally stable, insensitive compounds.

  5. Initial mechanisms for the unimolecular decomposition of electronically excited bisfuroxan based energetic materials.

    Science.gov (United States)

    Yuan, Bing; Bernstein, Elliot R

    2017-01-07

    Unimolecular decomposition of energetic molecules, 3,3'-diamino-4,4'-bisfuroxan (labeled as A) and 4,4'-diamino-3,3'-bisfuroxan (labeled as B), has been explored via 226/236 nm single photon laser excitation/decomposition. These two energetic molecules, subsequent to UV excitation, create NO as an initial decomposition product at the nanosecond excitation energies (5.0-5.5 eV) with warm vibrational temperature (1170 ± 50 K for A, 1400 ± 50 K for B) and cold rotational temperature (energetic barrier is that for which the furoxan ring opens on the S1 state via the breaking of the N1-O1 bond. Subsequently, the molecule moves to the ground S0 state through related ring-opening conical intersections, and an NO product is formed on the ground state surface with little rotational excitation at the last NO dissociation step. For the ground state ring opening decomposition mechanism, the N-O bond and C-N bond break together in order to generate dissociated NO. With the MP2 correction for the CASSCF(12,12) surface, the potential energies of molecules with dissociated NO product are in the range from 2.04 to 3.14 eV, close to the theoretical result for the density functional theory (B3LYP) and MP2 methods. The CASMP2(12,12) corrected approach is essential in order to obtain a reasonable potential energy surface that corresponds to the observed decomposition behavior of these molecules. Apparently, highly excited states are essential for an accurate representation of the kinetics and dynamics of excited state decomposition of both of these bisfuroxan energetic molecules. The experimental vibrational temperatures of NO products of A and B are about 800-1000 K lower than previously studied energetic molecules with NO as a decomposition product.

  6. Influence of Workpiece Material on Tool Wear Performance and Tribofilm Formation in Machining Hardened Steel

    Directory of Open Access Journals (Sweden)

    Junfeng Yuan

    2016-04-01

    Full Text Available In addition to the bulk properties of a workpiece material, characteristics of the tribofilms formed as a result of workpiece material mass transfer to the friction surface play a significant role in friction control. This is especially true in cutting of hardened materials, where it is very difficult to use liquid based lubricants. To better understand wear performance and the formation of beneficial tribofilms, this study presents an assessment of uncoated mixed alumina ceramic tools (Al2O3+TiC in the turning of two grades of steel, AISI T1 and AISI D2. Both workpiece materials were hardened to 59 HRC then machined under identical cutting conditions. Comprehensive characterization of the resulting wear patterns and the tribofilms formed at the tool/workpiece interface were made using X-ray Photoelectron Spectroscopy and Scanning Electron Microscopy. Metallographic studies on the workpiece material were performed before the machining process and the surface integrity of the machined part was investigated after machining. Tool life was 23% higher when turning D2 than T1. This improvement in cutting tool life and wear behaviour was attributed to a difference in: (1 tribofilm generation on the friction surface and (2 the amount and distribution of carbide phases in the workpiece materials. The results show that wear performance depends both on properties of the workpiece material and characteristics of the tribofilms formed on the friction surface.

  7. Study on electroplating technology of diamond tools for machining hard and brittle materials

    Science.gov (United States)

    Cui, Ying; Chen, Jian Hua; Sun, Li Peng; Wang, Yue

    2016-10-01

    With the development of the high speed cutting, the ultra-precision machining and ultrasonic vibration technique in processing hard and brittle material , the requirement of cutting tools is becoming higher and higher. As electroplated diamond tools have distinct advantages, such as high adaptability, high durability, long service life and good dimensional stability, the cutting tools are effective and extensive used in grinding hard and brittle materials. In this paper, the coating structure of electroplating diamond tool is described. The electroplating process flow is presented, and the influence of pretreatment on the machining quality is analyzed. Through the experimental research and summary, the reasonable formula of the electrolyte, the electroplating technologic parameters and the suitable sanding method were determined. Meanwhile, the drilling experiment on glass-ceramic shows that the electroplating process can effectively improve the cutting performance of diamond tools. It has laid a good foundation for further improving the quality and efficiency of the machining of hard and brittle materials.

  8. Design and production of a novel sand materials strength testing machine for foundry applications

    DEFF Research Database (Denmark)

    Nwaogu, Ugochukwu Chibuzoh; Hansen, K. S.; Tiedje, Niels Skat

    2012-01-01

    testing machine was designed and built for both green sand and chemically-bonded sand materials. This machine measures and presents the loading response as a force-displacement profile from which the mechanical properties of the moulding materials can be deduced. The system was interfaced to a computer...... with a commercial PC based-control and data acquisition software. The testing conditions and operations are specified in the user interface and the data acquisition is made according to specifications. The force and displacements were calibrated to ensure consistency and reliability of the measurement data...

  9. Bioinspired High-Performance Energetic Materials Using Heme-Containing Crystals.

    Science.gov (United States)

    Slocik, Joseph M; Drummy, Lawrence F; Dickerson, Matthew B; Crouse, Christopher A; Spowart, Jonathan E; Naik, Rajesh R

    2015-08-05

    Synthetic hemozoin crystals (β-hematin) are assembled with aluminium nanoparticles (nAl) to create a nanomaterial composite that is highly energetic and reactive. The results here demonstrate that hemozoin rapidly oxidizes the nAl fuel to release large amounts of energy (+12.5 ± 2.4 kJ g(-1) ). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Computational and Experimental Study of Energetic Materials in a Counterflow Microgravity Environment

    Science.gov (United States)

    Takahashi, Fumiaki (Technical Monitor); Urban, David (Technical Monitor); Smooke, M. D.; Parr, T. P.; Hanson-Parr, D. M.; Yetter, R. A.; Risha, G.

    2004-01-01

    thermal wave penetration into the liquid, these experiments were found feasible, but not used for obtaining quantitative data. Microgravity experiments are needed to eliminate the dripping and boiling phenomena of these systems at normal gravity. Microgravity tests in the NASA Glenn 2.2 second drop tower were performed (1) to demonstrate the feasibility of performing propellant experiments using the NASA Glenn microgravity facilities, (2) to develop the operational procedures for safe handing of the energetic materials and disposal of their toxic combustion by-products and (3) to obtain initial measurements of the AP burning rate and flame structure under microgravity conditions. Experiments were conducted on the CH4/AP system previously studied at normal gravity using a modified design of the counterflow burner and a NASA Glenn Pig Rig, i.e., one of the existing drop rigs for general-purpose usage. In these experiments, the AP burning rate was measured directly with a linear variable differential transducer (LVDT) and video imaging of the flame structure was recorded ignition was achieved by hot wires stretched across the AP surfaces. Initial drop tower combustion data show that with the same burner separation distance and flow conditions of the normal gravity experiments, the AP burning rate is approximately a factor of two lower. This difference is likely a result of radiation effects, but further tests with longer test times need to be conducted to verify that steady state conditions were achieved under microgravity conditions.

  11. Nitramino- and Dinitromethyl-Substituted 1,2,4-Triazole Derivatives as High-Performance Energetic Materials.

    Science.gov (United States)

    Tang, Yongxing; Dharavath, Srinivas; Imler, Gregory H; Parrish, Damon A; Shreeve, Jean'ne M

    2017-07-06

    Since highly nitrated nitrogen-rich heterocycles are important motifs in high energy density materials, extensive studies for the development of such novel molecules have been underway. A highly energetic moiety, 3-dinitromethyl-5-nitramino-1,2,4-triazole, which consists of a triazole ring, and nitramino and dinitromethyl groups, has been designed and synthesized. By pairing with nitrogen-rich cations, several ionic derivatives were obtained. Theoretical and experimental studies show that the hydroxylammonium salt (7) is highly dense, and has excellent detonation performance with acceptable thermal stablity and sensitivities, which are superior to those of RDX. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Process parameters effect on material removal mechanism and cut quality of abrasive water jet machining

    Directory of Open Access Journals (Sweden)

    Janković P.

    2013-01-01

    Full Text Available The process of the abrasive water jet cutting of materials, supported by the theories of fluid mechanics, abrasive wear and damage mechanics, is a high-tech technologies that provides unique capabilities compared to conventional machining processes. This paper, along the theoretical derivations, provides original contributions in the form of mathematical models of the quantity of the cut surface damage, expressed by the values of cut surface roughness. The particular part of this paper deal with the results of the original experimental research. The research aim was connected with the demands of industry, i.e. the end user. Having in mind that the conventional machining processes are not only lagging behind in terms of quality of cut, or even some requests are not able to meet, but with the advent of composite materials were not able to machine them, because they occurred unacceptable damage (mechanical damage or delamination, fiber pull-out, burning, frayed edges.

  13. Materials and optimized designs for human-machine interfaces via epidermal electronics.

    Science.gov (United States)

    Jeong, Jae-Woong; Yeo, Woon-Hong; Akhtar, Aadeel; Norton, James J S; Kwack, Young-Jin; Li, Shuo; Jung, Sung-Young; Su, Yewang; Lee, Woosik; Xia, Jing; Cheng, Huanyu; Huang, Yonggang; Choi, Woon-Seop; Bretl, Timothy; Rogers, John A

    2013-12-17

    Thin, soft, and elastic electronics with physical properties well matched to the epidermis can be conformally and robustly integrated with the skin. Materials and optimized designs for such devices are presented for surface electromyography (sEMG). The findings enable sEMG from wide ranging areas of the body. The measurements have quality sufficient for advanced forms of human-machine interface.

  14. Physicists purchase materials testing machine in support of pioneering particle physics experiments

    CERN Multimedia

    Sharpe, Suzanne

    2007-01-01

    "The particle physics group at Liverpool University has purchased an LRXPlus singlecolumn materials testing machine from Lloyd Instruments, which will be used to help characterise the carbon-fibre support frames for detectors used for state-of-the-art particle physics experiments." (1 page)

  15. Prediction of detonation and JWL eos parameters of energetic materials using EXPLO5 computer code

    CSIR Research Space (South Africa)

    Peter, Xolani

    2016-09-01

    Full Text Available (Cowperthwaite and Zwisler, 1976), CHEETAH (Fried, 1996), EXPLO5(Sućeska , 2001), BARUT-X (Cengiz et al., 2007). These computer codes describe the detonation on the basis of the solution of Euler’s hydrodynamic equation based on the description of an equation... of detonation products equation of state from cylinder test: Analytical model and numerical analysis. Thermal Science, 19(1), pp. 35-48. Fried, L.E., 1996. CHEETAH 1.39 user’s manual. Lawrence Livermore National Laboratory. Göbel, M., 2009. Energetic...

  16. DEVELOPMENT OF FUZZY MODEL FOR POWDER MIXED ELECTRO DISCHARGE MACHINING USING COPPER AND GRAPHITE TOOL MATERIAL

    Directory of Open Access Journals (Sweden)

    SONI S.S.

    2012-09-01

    Full Text Available This paper describes development of fuzzy logic model for powder mixed electro discharge machining (PMEDM process. The developed fuzzy model implements triangular and trapezoidal membership functionsfor fuzzification and centre-of-area method for defuzzification processes. The process parameters selected as control variables for experimental work were tool material, type of powder, concentration of powder in dielectric medium and peak current. The machining operation was conducted by using copper and graphite as electrode material on mild steel workpiece material. The powder additives used in the experiment were aluminum and silicon because of their significantly different electrical and thermal properties. The dielectric fluid used was kerosene. The response parameters selected are material removal rate and electrode wear rate. Response surfaces are developed from the developed fuzzy system model. Also exemplar plot developed to compare the responses from fuzzy model and experiment.

  17. One-pot synthesis of interpenetrating inorganic/organic networks of CuO/resorcinol-formaldehyde aerogels: nanostructured energetic materials.

    Science.gov (United States)

    Leventis, Nicholas; Chandrasekaran, Naveen; Sadekar, Anand G; Sotiriou-Leventis, Chariklia; Lu, Hongbing

    2009-04-01

    For many applications ranging from catalysis to sensors to energetic materials, it is desirable to produce intimate mixtures of nanoparticles. For instance, to improve the reaction rates of energetic materials, the oxidizing agent and the fuel need to be mixed as intimately as possible, ideally at the nanoscopic level. In this context, the acidity of a hydrated CuCl(2) solution reacting toward a network of CuO nanoparticles (a good oxidant) is used to induce one-pot cogelation of a nanostructured network of a resorcinol-formaldehyde resin (RF, the fuel). The resulting wet gels are dried to aerogels, and upon pyrolysis under Ar, the interpenetrating CuO/RF network undergoes a smelting reaction toward metallic Cu. Upon ignition in the open air, pure RF aerogels do not burn, while CuO/RF composites, even with substoichiometric CuO, sustain combustion, burning completely leaving only a solid residue of CuO whose role then has been that of a redox mediator through the smelting reaction.

  18. Elucidating the decomposition mechanism of energetic materials with geminal dinitro groups using 2-bromo-2-nitropropane photodissociation.

    Science.gov (United States)

    Booth, Ryan S; Lam, Chow-Shing; Brynteson, Matthew D; Wang, Lei; Butler, Laurie J

    2013-10-03

    These experiments photolytically generate two key intermediates in the decomposition mechanisms of energetic materials with nitro substituents, 2-nitropropene, and 2-nitro-2-propyl radicals. These intermediates are produced at high internal energies and access a number of competing unimolecular dissociation channels investigated herein. We use a combination of crossed laser-molecular beam scattering and velocity map imaging to study the photodissociation of 2-bromo-2-nitropropane at 193 nm and the subsequent unimolecular dissociation of the intermediates above. Our results demonstrate that 2-bromo-2-nitropropane has four primary photodissociation pathways: C-Br bond fission yielding the 2-nitro-2-propyl radical, HBr elimination yielding 2-nitropropene, C-N bond fission yielding the 2-bromo-2-propyl radical, and HONO elimination yielding 2-bromopropene. The photofragments are formed with significant internal energy and undergo many secondary dissociation events, including the exothermic dissociation of 2-nitro-2-propyl radicals to NO + acetone. Calculations at the G4//B3LYP/6-311++g(3df,2p) level show that the presence of a radical at a nitroalkyl center changes the mechanism for and substantially lowers the barrier to NO loss. This mechanism involves an intermediate with a three-center ring rather than the intermediate formed during the traditional nitro-nitrite isomerization. The observed dissociation pathways of the 2-nitro-2-propyl radical and 2-nitropropene help elucidate the decomposition mechanism of larger energetic materials with geminal dinitro groups.

  19. Detection of anionic energetic material residues in enhanced fingermarks on porous and non-porous surfaces using ion chromatography.

    Science.gov (United States)

    Love, Catherine; Gilchrist, Elizabeth; Smith, Norman; Barron, Leon

    2013-09-10

    The ability to link criminal activity and identity using validated analytical approaches can be of great value to forensic scientists. Herein, the factors affecting the recovery and detection of inorganic and organic energetic material residues within chemically or physically enhanced fingermarks on paper and glass substrates are presented using micro-bore anion exchange chromatography with suppressed conductivity detection. Fingermarks on both surfaces were enhanced using aluminium powder or ninhydrin after spiking with model test mixtures or through contact with black-powder substitutes. A quantitative study of the effects of environmental/method interferences, the sweat matrix, the surface and the enhancement technique on the relative anion recovery of forensically relevant species is presented. It is shown that the analytical method could detect target analytes at the nanogram level even within excesses of enhancement reagents and their reaction products when using solid phase extraction and/or microfiltration. To our knowledge, this work demonstrates for the first time that ion chromatography can detect anions in energetic materials within fingermarks on two very different surfaces, after operational enhancement techniques commonly used by forensic scientists and police have been applied.

  20. Energetic Systems

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetic Systems Division provides full-spectrum energetic engineering services (project management, design, analysis, production support, in-service support,...

  1. Quantum-chemical Investigation of Substituted s-Tetrazine Derivatives as Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    Ghule, Vikas D.; Tewari, Surya P. [University of Hyderabad, Hyderabad (India); Sarangapani, Radhakrishnan; Jadhav, Pandurang M. [High Energy Materials Research Laboratory, Pune (India)

    2012-02-15

    s-Tetrazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores the design of s-tetrazine derivatives in which different -NO{sub 2}, -NH{sub 2} and -N{sub 3} substituted azoles are attached to the tetrazine ring via C-N linkage. The density functional theory (DFT) is used to predict the geometries, heats of formation (HOFs) and other energetic properties. The predicted results show that azide group plays a very important role in increasing HOF values of the s-tetrazine derivatives. The densities for designed molecules were predicted by using the crystal packing calculations. The introduction of -NO{sub 2} group improves the density as compared to -N{sub 3}, and -NH{sub 2} groups and hence the detonation performance. Bond dissociation energy analysis and insensitivity correlations revealed that amino derivatives are better candidates considering insensitivity and stability.

  2. Computational Study on Substituted s-Triazine Derivatives as Energetic Materials

    Directory of Open Access Journals (Sweden)

    Vikas D. Ghule

    2012-01-01

    Full Text Available s-Triazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores s-triazine derivatives in which different -NO2, -NH2 and -N3 substituted azoles are attached to the triazine ring via C-N linkage. The density functional theory is used to predict geometries, heats of formation and other energetic properties. Among the designed compounds, -N3 derivatives show very high heats of formation. The densities for designed compounds were predicted by using the crystal packing calculations. Introduction of -NO2 group improves density as compared to -NH2 and -N3, their order of increasing density can be given as NO2>N3>NH2. Analysis of the bond dissociation energies for C-NO2, C-NH2 and C-N3 bonds indicates that substitutions of the -N3 and -NH2 group are favorable for enhancing the thermal stability of s-triazine derivatives. The nitro and azido derivatives of triazine are found to be promising candidates for the synthetic studies.

  3. 1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.

    Science.gov (United States)

    Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming

    2016-11-28

    A novel energetic heat-resistant explosive, 1-(3,5-dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT), has been synthesized along with its salts. An intensive characterization of the compounds is given, including (1)H and (13)C NMR spectroscopy, IR spectroscopy, and elemental analysis. The crystal structures of neutral HCPT (3), its triaminoguanidinium salt (10), 3,4,5-triamino-1,2,4-triazolium salt (12), and copper(ii) complex (16) were determined by single-crystal X-ray diffraction. The physicochemical properties of the compounds, such as density, thermal stability, and sensitivity towards impact and friction were evaluated; all energetic compounds exhibited excellent thermal stabilities with decomposition temperatures ranging from 215 °C to 340 °C, and high positive heats of formation between 622.8 kJ mol(-1) and 1211.7 kJ mol(-1). The detonation pressures and velocities for the energetic compounds were calculated using EXPLO5 (V6.01) based on experimental densities and calculated heats of formation, and the corresponding values were in the ranges of 26.5 GPa to 37.8 GPa and 8236 m s(-1) to 9167 m s(-1). Based on thermal stability values and energetic parameters, compounds 3 and 7 were superior to those of all of the commonly used heat-resistant explosives, which may find potential application as heat-resistant energetic materials.

  4. Synthesis of 5-aminotetrazole-1N-oxide and its azo derivative: a key step in the development of new energetic materials.

    Science.gov (United States)

    Fischer, Dennis; Klapötke, Thomas M; Piercey, Davin G; Stierstorfer, Jörg

    2013-04-01

    1-Hydroxy-5-aminotetrazole (1), which is a long-desired starting material for the synthesis of hundreds of new energetic materials, was synthesized for the first time by the reaction of aqueous hydroxylamine with cyanogen azide. The use of this unique precursor was demonstrated by the preparation of several energetic compounds with equal or higher performance than that of commonly used explosives, such as hexogen (RDX). The prepared compounds, including energetic salts of 1-hydroxy-5-aminotetrazole (hydroxylammonium (2, two polymorphs) and ammonium (3)), azo-coupled derivatives (potassium (5), hydroxylammonium (6), ammonium (7), and hydrazinium 5,5'-azo-bis(1-N-oxidotetrazolate (8, two polymorphs)), as well as neutral compounds 5,5'-azo-bis(1-oxidotetrazole) (4) and 5,5'-bis(1-oxidotetrazole)hydrazine (9), were intensively characterized by low-temperature X-ray diffraction, IR, Raman, and multinuclear NMR spectroscopy, elemental analysis, and DSC. The calculated energetic performance, by using the EXPLO5 code, based on the calculated (CBS-4M) heats of formation and X-ray densities confirm the high energetic performance of tetrazole-N-oxides as energetic materials. Last but not least, their sensitivity towards impact, friction, and electrostatic discharge were explored. 5,5'-Azo-bis(1-N-oxidotetrazole) deflagrates close to the DDT (deflagration-to-detonation transition) faster than all compounds that have been investigated in our research group to date.

  5. High Torque Density Transverse Flux Machine without the Need to Use SMC Material for 3D Flux Paths

    DEFF Research Database (Denmark)

    Lu, Kaiyuan; Wu, Weimin

    2015-01-01

    This paper presents a new transverse flux permanent magnet machine. In a normal transverse flux machine, complicated 3-D flux paths often exist. Such 3-D flux paths would require the use of soft magnetic composites material instead of laminations for construction of the machine stator. In the new...... machine topology proposed in this paper, by advantageously utilizing the magnetic flux path provided by an additional rotor, use of laminations that allow 2-D flux paths only will be sufficient to accomplish the required 3-D flux paths. The machine also has a high torque density and is therefore...

  6. Influence of pressure-driven gas permeation on the quasi-steady burning of porous energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Margolis, S.B.

    1997-09-01

    A theoretical two-phase-flow analysis is developed to describe the quasi-steady propagation, across a pressure jump, of a multi-phase deflagration in confined porous energetic materials. The difference, or overpressure, between the upstream (unburned) and downstream (burned) gas pressure leads to a more complex structure than that which is obtained for an unconfined deflagration in which the pressure across the multi-phase flame region is approximately constant. In particular, the structure of such a wave is shown by asymptotic methods to consist of a thin boundary layer characterized by gas permeation into the unburned solid, followed by a liquid/gas flame region, common to both types of problems, in which the melted material is preheated further and ultimately converted to gaseous products. The effect of gas flow relative to the condensed material is shown to be significant, both in the porous unburned solid as well as in the exothermic liquid/gas melt layer, and is, in turn, strongly affected by the overpressure. Indeed, all quantities of interest, including the burned temperature, gas velocity and the propagation speed, depend on this pressure difference, leading to a significant enhancement of the burning rate with increasing overpressure. In the limit that the overpressure becomes small, the pressure gradient is insufficient to drive gas produced in the reaction zone in the upstream direction, and all gas flow relative to the condensed material is directed in the downstream direction, as in the case of an unconfined deflagration. The present analysis is particularly applicable to those types of porous energetic solids, such as degraded nitramine propellants, that can experience significant gas flow in the solid preheat region and which are characterized by the presence of exothermic reactions in a bubbling melt layer at their surfaces. 7 refs., 6 figs.

  7. Effects of two-phase flow on the deflagration of porous energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Margolis, S.B. [Sandia National Labs., Livermore, CA (United States); Williams, F.A. [Univ. of California, San Diego, La Jolla, CA (United States). Dept. of Applied Mechanics and Engineering Sciences

    1994-07-01

    Theoretical analyses are developed for the multi-phase deflagration of porous energetic solids, such as degraded nitramine propellants, that experience significant gas flow in the solid preheat region and are characterized by the presence of exothermic reactions in a bubbling melt layer at their surfaces. Relative motion between the gas and condensed phases is taken into account in both regions, and expressions for the mass burning rate and other quantities of interest, such as temperature and volume-fraction profiles, are derived by activation-energy asymptotics. The model extends recent work by allowing for gas flow in the unburned solid, and by incorporating pressure effects through the gas-phase equation of state. As a consequence, it is demonstrated how most aspects of the deflagration wave, including its structure, propagation speed and final temperature, depend on the local pressure in the two-phase regions.

  8. Diffuse Interface Methods for Multiple Phase Materials: An Energetic Variational Approach

    CERN Document Server

    Brannick, J; Qian, T; Sun, H

    2014-01-01

    In this paper, we introduce a diffuse interface model for describing the dynamics of mixtures involving multiple (two or more) phases. The coupled hydrodynamical system is derived through an energetic variational approach. The total energy of the system includes the kinetic energy and the mixing (interfacial) energies. The least action principle (or the principle of virtual work) is applied to derive the conservative part of the dynamics, with a focus on the reversible part of the stress tensor arising from the mixing energies. The dissipative part of the dynamics is then introduced through a dissipation function in the energy law, in line with the Onsager principle of least energy dissipation. The final system, formed by a set of coupled time-dependent partial differential equations, reflects a balance among various conservative and dissipative forces and governs the evolution of velocity and phase fields. To demonstrate the applicability of the proposed model, a few two-dimensional simulations have been car...

  9. Transport of energetic electrons in solids computer simulation with applications to materials analysis and characterization

    CERN Document Server

    Dapor, Maurizio

    2017-01-01

    This new edition describes all the mechanisms of elastic and inelastic scattering of electrons with the atoms of the target as simple as possible. The use of techniques of quantum mechanics is described in detail for the investigation of interaction processes of electrons with matter. It presents the strategies of the Monte Carlo method, as well as numerous comparisons among the results of the simulations and the experimental data available in the literature. New in this edition is the description of the Mermin theory, a comparison between Mermin theory and Drude theory, a discussion about the dispersion laws, and details about the calculation of the phase shifts that are used in the relativistic partial wave expansion method. The role of secondary electrons in proton cancer therapy is discussed in the chapter devoted to applications. In this context, Monte Carlo results about the radial distribution of the energy deposited in PMMA by secondary electrons generated by energetic proton beams are presented.

  10. Electrostatic interactions for directed assembly of high performance nanostructured energetic materials of Al/Fe{sub 2}O{sub 3}/multi-walled carbon nanotube (MWCNT)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Tianfu; Ma, Zhuang; Li, Guoping; Wang, Zhen; Zhao, Benbo; Luo, Yunjun, E-mail: yjluo@bit.edu.cn

    2016-05-15

    Electrostatic self-assembly in organic solvent without intensively oxidative or corrosive environments, was adopted to prepare Al/Fe{sub 2}O{sub 3}/MWCNT nanostructured energetic materials as an energy generating material. The negatively charged MWCNT was used as a glue-like agent to direct the self-assembly of the well dispersed positively charged Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles. This spontaneous assembly method without any surfactant chemistry or other chemical and biological moieties decreased the aggregation of the same nanoparticles largely, moreover, the poor interfacial contact between the Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles was improved significantly, which was the key characteristic of high performance nanostructured energetic materials. In addition, the assembly process was confirmed as Diffusion-Limited Aggregation. The assembled Al/Fe{sub 2}O{sub 3}/MWCNT nanostructured energetic materials showed excellent performance with heat release of 2400 J/g, peak pressure of 0.42 MPa and pressurization rate of 105.71 MPa/s, superior to that in the control group Al/Fe{sub 2}O{sub 3} nanostructured energetic materials prepared by sonication with heat release of 1326 J/g, peak pressure of 0.19 MPa and pressurization rate of 33.33 MPa/s. Therefore, the approach, which is facile, opens a promising route to the high performance nanostructured energetic materials. - Graphical abstract: The negatively charged MWCNT was used as a glue-like agent to direct the self-assembly of the well dispersed positively charged Al (fuel) and Fe{sub 2}O{sub 3} (oxide) nanoparticles. - Highlights: • A facile spontaneous electrostatic assembly strategy without surfactant was adopted. • The fuels and oxidizers assembled into densely packed nanostructured composites. • The assembled nanostructured energetic materials have excellent performance. • This high performance energetic material can be scaled up for practical application. • This

  11. Tuning the particle size and morphology of high energetic material nanocrystals

    Directory of Open Access Journals (Sweden)

    Raj Kumar

    2015-12-01

    Full Text Available Morphology controlled synthesis of nanoparticles of powerful high energetic compounds (HECs such as 1,3,5-trinitro-1,3,5-triazinane (RDX and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX were achieved by a simple solvent–antisolvent interaction (SAI method at 70 °C. The effects of different solvents on particle size and morphology of the prepared nano-HECs were studied systematically. Particle size and morphology of the nano-HECs was characterized using field emission scanning electron microscopy (FE-SEM imaging. X-ray diffraction (XRD and Fourier transform infrared (FTIR spectroscopy studies revealed that RDX and HMX were precipitated in their most stable polymorphic forms, i.e. α and β, respectively. Thermogravimetric analysis coupled with differential scanning calorimetry (TGA-DSC studies showed that the thermal response of the nanoparticles was similar to the respective raw-HECs. HEC nanoparticles with spherical and rod shaped morphology were observed under different solvent conditions. The mean particle size also varied considerably with the use of different solvents.

  12. Building energetic material from novel salix leaf-like CuO and nano-Al through electrophoretic deposition

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Yan Jun; Li, Xueming [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing (China)

    2016-11-15

    In this study, an energetic material was prepared by depositing nano-Al on CuO arrays via electrophoretic deposition (EPD), which offers a feasible route for nano-Al integration. The morphology and structure of the CuO arrays and Al/CuO composites were characterized by scanning electron microscopy and X-ray diffraction. The CuO arrays were homogenously salix leaf-like structure with a width of ⁓150 to 200 nm. The energy density of Al/CuO composites was approximate to 1454.5 J/g by integrating the differential scanning calorimetry (DSC) plot and the combustion performance was recorded by a high-speed camera. Moreover, the combustion flames were violent and the whole reaction process only lasted 72.2 ms, indicating that the energy of the Al/CuO nanothermite can be released effectively.

  13. New Micro-Method for Prediction of Vapor Pressure of Energetic Materials

    Science.gov (United States)

    2014-07-01

    and HNS (20), caffeine (19, 21 both values used in linear regression), naphthalene (22), benzoic acid (23), adipic acid (24), anthraquinone (25...establishing an equilibrium concentration of vapor in a carrier gas above a test material. The test material is then separated from the carrier gas...equilibrium concentration of vapor in the headspace above a test material. Samples are then collected and analyzed by GC, which is calibrated in advance

  14. Molecular and Material Approaches to Overcome Kinetic and Energetic Constraints in Dye-Sensitized Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Hamann, Thomas [Michigan State Univ., East Lansing, MI (United States)

    2016-08-14

    Dye-sensitized solar cells (DSSCs) have attracted a lot of interest as they proffer the possibility of extremely inexpensive and efficient solar energy conversion. The excellent performance of the most efficient DSSCs relies on two main features: 1) a high surface area nanoparticle semiconductor photoanode to allow for excellent light absorption with moderate extinction molecular dyes and 2) slow recombination rates from the photoanode to I3- allowing good charge collection. The I3-/I- couple, however, has some disadvantages, notably the redox potential limits the maximum open-circuit voltage, and the dye regeneration requires a large driving force which constrains the light harvesting ability. Thus, the design features that allow DSSCs to perform as well as they do also prevent further significant improvements in performance. As a consequence, the most efficient device configuration, and the maximum efficiency, has remained essentially unchanged over the last 16 years. Significant gains in performance are possible; however it will likely require a substantial paradigm shift. The general goal of this project is to understand the fundamental role of dye-sensitized solar cell, DSSC, components (sensitizer, redox shuttle, and photoanode) involved in key processes in order to overcome the kinetic and energetic constraints of current generation DSSCs. For example, the key to achieving high energy conversion efficiency DSSCs is the realization of a redox shuttle which fulfills the dual requirements of 1) efficient dye regeneration with a minimal driving force and 2) efficient charge collection. In current generation DSSCs, however, only one or the other of these requirements is met. We are currently primarily interested in understanding the physical underpinnings of the regeneration and recombination reactions. Our approach is to systematically vary the components involved in reactions and interrogate them with a

  15. Two dimensional numerical prediction of deflagration-to-detonation transition in porous energetic materials.

    Science.gov (United States)

    Narin, B; Ozyörük, Y; Ulas, A

    2014-05-30

    This paper describes a two-dimensional code developed for analyzing two-phase deflagration-to-detonation transition (DDT) phenomenon in granular, energetic, solid, explosive ingredients. The two-dimensional model is constructed in full two-phase, and based on a highly coupled system of partial differential equations involving basic flow conservation equations and some constitutive relations borrowed from some one-dimensional studies that appeared in open literature. The whole system is solved using an optimized high-order accurate, explicit, central-difference scheme with selective-filtering/shock capturing (SF-SC) technique, to augment central-diffencing and prevent excessive dispersion. The sources of the equations describing particle-gas interactions in terms of momentum and energy transfers make the equation system quite stiff, and hence its explicit integration difficult. To ease the difficulties, a time-split approach is used allowing higher time steps. In the paper, the physical model for the sources of the equation system is given for a typical explosive, and several numerical calculations are carried out to assess the developed code. Microscale intergranular and/or intragranular effects including pore collapse, sublimation, pyrolysis, etc. are not taken into account for ignition and growth, and a basic temperature switch is applied in calculations to control ignition in the explosive domain. Results for one-dimensional DDT phenomenon are in good agreement with experimental and computational results available in literature. A typical shaped-charge wave-shaper case study is also performed to test the two-dimensional features of the code and it is observed that results are in good agreement with those of commercial software. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Characteristic evaluation of Al2O3/CNTs hybrid materials for micro-electrical discharge machining

    Institute of Scientific and Technical Information of China (English)

    Hyun-Seok TAK; Chang-Seung HA; Ho-Jun LEE; Hyung-Woo LEE; Young-Keun JEONG; Myung-Chang KANG

    2011-01-01

    The characteristic evaluation of aluminum oxide (Al2O3)/carbon nanotubes (CNTs) hybrid composites for micro-electrical discharge machining (EDM) was described. Alumina matrix composites reinforced with CNTs were fabricated by a catalytic chemical vapor deposition method. Al2O3 composites with different CNT concentrations were synthesized. The electrical characteristic of Al2O3/CNTs composites was examined. These composites were machined by the EDM process according to the various EDM parameters, and the characteristics of machining were analyzed using field emission scanning electron microscope (FESEM). The electrical conductivity has a increasing tendency as the CNTs content is increased and has a critical point at 5% Al2O3 (volume fraction). In the machining accuracy, many tangles of CNT in Al2O3/CNTs composites cause violent spark. Thus, it causes the poor dimensional accuracy and circularity. The results show that conductivity of the materials and homogeneous distribution of CNTs in the matrix are important factors for micro-EDM of Al2O3/CNTs hybrid composites.

  17. Variations in Cathodoluminescent Intensity of Spacecraft Materials Exposed to Energetic Electron Bombardment

    Science.gov (United States)

    Dekany, Justin; Christensen, Justin; Dennison, J. R.; Jensen, Amberly Evans; Wilson, Gregory; Schneider, Todd; Bowers, Charles W.; Meloy, Robert

    2015-01-01

    Many contemporary spacecraft materials exhibit cathodoluminescence when exposed to electron flux from the space plasma environment. A quantitative, physics-based model has been developed to predict the intensity of the total glow as a function of incident electron current density and energy, temperature, and intrinsic material properties. We present a comparative study of the absolute spectral radiance for more than 20 types of dielectric and composite materials based on this model which spans more than three orders of magnitude. Variations in intensity are contrasted for different electron environments, different sizes of samples and sample sets, different testing and analysis methods, and data acquired at different test facilities. Together, these results allow us to estimate the accuracy and precision to which laboratory studies may be able to determine the response of spacecraft materials in the actual space environment. It also provides guidance as to the distribution of emissions that may be expected for sets of similar flight hardware under similar environmental conditions.

  18. Ultraprecision, high stiffness CNC grinding machines for ductile mode grinding of brittle materials

    Science.gov (United States)

    McKeown, Patrick A.; Carlisle, Keith; Shore, Paul; Read, R. F.

    1990-10-01

    Under certain controlled conditions it is now possible to machine brittle materials such as glasses and ceramics using single or multi-point diamond tools (grinding), so that material is removed by plastic flow, leaving crack-free surfaces. This process is called 'shear' or 'ductile' mode grinding. It represents a major breakthrough in modern manufacturing engineering since it promises to enable: - complex optical components, both transmission and reflecting to be generated by advanced CNC machines with very little (or even zero) subsequent polishing. - complex shaped components such as turbine blades, nozzle guide vanes, etc. to be finish machined after near net shape forming, to high precision in advanced ceramics such as silicon nitride, without inducing micro-cracking and thus lowering ultimate rupture strength and fatigue life. Ductile mode "damage free" grinding occurs when the volume of materials stressed by each grit of the grinding wheel is small enough to yield rather than exhibit brittle fracture, i.e. cracking. In practice, this means maintaining the undeformed chip thickness to below the ductile-brittle transition value; this varies from material to material but is generally in the order of 0.1 pm or 100 nm, (hence the term "nanogrinding" is sometimes used) . Thus the critical factors for operating successfully in the ductile regime are machine system accuracy and dynamic stiffness between each grit and the workpiece. In detail this means: (i) High precision 'truing' of the diamond grits, together with dressing of the wheel bond to ensure adequate ' openness'; (ii) Design and build of the grinding wheel spindle with very high dynamic stiffness; error motions, radial and axial, must be considerably less than 100 nfl. (iii) Design and build of the workpiece carriage motion system with very high dynamic stiffness; error motions, linear or rotary, must be well within 100 nm. (iv) Smooth, rumble-free, high-stiffness servo-drives controlling the motions

  19. Non-Newtonian behavior observed via dynamic rheology for various particle types in energetic materials and simulant composites

    Science.gov (United States)

    Choi, Jong Han; Lee, Sangmook; Lee, Jae Wook

    2017-02-01

    The rheological properties of polymer composites highly filled with different filler materials were examined using a stress-controlled rheometer with a parallel-plate configuration, for particle characterization of the filler materials in plastic (polymer) bonded explosive (PBX). Ethylene vinyl acetate (EVA) with dioctyl adipate (DOA) was used as the matrix phase, which was shown to exhibit Newtonian-like behavior. The dispersed phase consisted of one of two energetic materials, i.e., explosive cyclotrimethylene trinitramine (RDX) or cyclotetramethylene tetranitramine (HMX), or a simulant (Dechlorane) in a bimodal size distribution. Before the test, preshearing was conducted to identify the initial condition of each sample. All examined filled polymer specimens exhibited yield stress and shear-thinning behavior over the investigated frequency range. The complex viscosity dependence on the dynamic oscillation frequency was also fitted using an appropriate rheological model, suggesting the model parameters. Furthermore, the temperature dependency of the different filler particle types was determined for different filler volume fractions. These comparative studies revealed the influence of the particle characteristics on the rheological properties of the filled polymer.

  20. Surface characterization of an energetic material, pentaerythritoltetranitrate (PETN), having a thin coating achieved through a starved addition microencapsulation technique

    Energy Technology Data Exchange (ETDEWEB)

    Worley, C.M.

    1986-05-07

    The objective of this research was to: (1) determine the nature of a thin coating on an explosive material which was applied using a starved addition microencapsulation technique, (2) understand the coating/crystal bond, and (3) investigate the wettability/adhesion of plastic/solvent combinations using the coating process. The coating used in this work was a Firestone Plastic Company copolymer (FPC-461) of vinylchloride/trifluorochloroethylene in a 1.5/1.0 weight ratio. The energetic explosive examined was pentaerythritoltetranitrate (PETN). The coating process used was starved addition followed by a solvent evaporation technique. Surface analytical studies, completed for characterization of the coating process, show (1) evidence that the polymer coating is present, but not continuous, over the surface of PETN; (2) the average thickness of the polymer coating is between 16-32 A and greater than 44 A, respectively, for 0.5 and 20 wt % coated PETN; (3) no changes in surface chemistry of the polymer or the explosive material following microencapsulation; and (4) the presence of explosive material on the surface of 0.5 wt % FPC-461 coated explosives. 5 refs., 15 figs., 6 tabs.

  1. Modification of transparent materials with ultrashort laser pulses: What is energetically and mechanically meaningful?

    Energy Technology Data Exchange (ETDEWEB)

    Bulgakova, Nadezhda M., E-mail: nadezhda.bulgakova@hilase.cz [HiLASE Centre, Institute of Physics ASCR, Za Radnicí 828, 25241 Dolní Břežany (Czech Republic); Institute of Thermophysics SB RAS, 1 Lavrentyev Ave., 630090 Novosibirsk (Russian Federation); Zhukov, Vladimir P. [Institute of Computational Technologies SB RAS, 6 Lavrentyev Ave., 630090 Novosibirsk (Russian Federation); Novosibirsk State Technical University, 20 Karl Marx Ave., 630073, Novosibirsk (Russian Federation); Sonina, Svetlana V. [Novosibirsk State University, 1 Koptuga Ave., 630090 Novosibirsk (Russian Federation); Meshcheryakov, Yuri P. [Design and Technology Branch of Lavrentyev Institute of Hydrodynamics SB RAS, Tereshkovoi street 29, 630090 Novosibirsk (Russian Federation)

    2015-12-21

    A comprehensive analysis of laser-induced modification of bulk glass by single ultrashort laser pulses is presented which is based on combination of optical Maxwell-based modeling with thermoelastoplastic simulations of post-irradiation behavior of matter. A controversial question on free electron density generated inside bulk glass by ultrashort laser pulses in modification regimes is addressed on energy balance grounds. Spatiotemporal dynamics of laser beam propagation in fused silica have been elucidated for the regimes used for direct laser writing in bulk glass. 3D thermoelastoplastic modeling of material relocation dynamics under laser-induced stresses has been performed up to the microsecond timescale when all motions in the material decay. The final modification structure is found to be imprinted into material matrix already at sub-nanosecond timescale. Modeling results agree well with available experimental data on laser light transmission through the sample and the final modification structure.

  2. Modification of transparent materials with ultrashort laser pulses: What is energetically and mechanically meaningful?

    Science.gov (United States)

    Bulgakova, Nadezhda M.; Zhukov, Vladimir P.; Sonina, Svetlana V.; Meshcheryakov, Yuri P.

    2015-12-01

    A comprehensive analysis of laser-induced modification of bulk glass by single ultrashort laser pulses is presented which is based on combination of optical Maxwell-based modeling with thermoelastoplastic simulations of post-irradiation behavior of matter. A controversial question on free electron density generated inside bulk glass by ultrashort laser pulses in modification regimes is addressed on energy balance grounds. Spatiotemporal dynamics of laser beam propagation in fused silica have been elucidated for the regimes used for direct laser writing in bulk glass. 3D thermoelastoplastic modeling of material relocation dynamics under laser-induced stresses has been performed up to the microsecond timescale when all motions in the material decay. The final modification structure is found to be imprinted into material matrix already at sub-nanosecond timescale. Modeling results agree well with available experimental data on laser light transmission through the sample and the final modification structure.

  3. The role of energetic ions from plasma in the creation of nanostructured materials and stable polymer surface treatments

    Energy Technology Data Exchange (ETDEWEB)

    Bilek, M.M.M. [Department of Applied and Plasma Physics, School of Physics, University of Sydney, Sydney, NSW 2006 (Australia)]. E-mail: mmmb@physics.usyd.edu.au; Newton-McGee, K. [Department of Applied and Plasma Physics, School of Physics, University of Sydney, Sydney, NSW 2006 (Australia); McKenzie, D.R. [Department of Applied and Plasma Physics, School of Physics, University of Sydney, Sydney, NSW 2006 (Australia); McCulloch, D.G. [Department of Applied and Plasma Physics, School of Physics, University of Sydney, Sydney, NSW 2006 (Australia)

    2006-01-15

    Plasma processes for the synthesis of new materials as thin films have enabled the production of a wide variety of new materials. These include meta-stable phases, which are not readily found in nature, and more recently, materials with structure on the nanoscale. Study of plasma synthesis processes at the fundamental level has revealed that ion energy, depositing flux and growth surface temperature are the critical parameters affecting the microstructure and the properties of the thin film materials formed. In this paper, we focus on the role of ion flux and impact energy in the creation of thin films with nanoscale structure in the form of multilayers. We describe three synthesis strategies, based on the extraction of ions from plasma sources and involving modulation of ion flux and ion energy. The microstructure, intrinsic stress and physical properties of the multilayered samples synthesized are studied and related back to the conditions at the growth surface during deposition. When energetic ions of a non-condensing species are used, it is possible to place active groups on the surfaces of materials such as polymers. These active groups can then be used as bonding sites in subsequent chemical attachment of proteins or other macromolecules. If the energy of the non-condensing ions is increased to a few keV then modified layers buried under the surface can be produced. Here we describe a method by which the aging effect, which is often observed in plasma surface modifications on polymers, can be reduced and even eliminated using high energy ion bombardment.

  4. Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials

    DEFF Research Database (Denmark)

    Lee, Yueh-Lin; Morgan, Dane; Kleis, Jesper;

    2009-01-01

    Perovskite materials of the form ABO3 are a promising family of compounds for use in solid oxide fuel cell (SOFC) cathodes. Study of the physics of these compounds under SOFC conditions with ab initio methods is particularly challenging due to high temperatures, exchange of oxygen with O2 gas...

  5. Crystallisation of energetic materials: The effect on stability,sensitivity and processing properties

    NARCIS (Netherlands)

    Meulenbrugge, J.J.; Steen, A.C. van der; Heijden, A.E.D.M. van der

    1995-01-01

    Resuits are presented from HNF and RDX ciystallisation experiments and the effect thereof on the properties of these materials. Control of the crystallisation process for HNF will improve the particle shape, the stability and the processability. Other parameters, like sensitivity, are much better

  6. Towards recognition of energetic materials -Terahertz imaging and sensing at higher frequencies

    NARCIS (Netherlands)

    Huhn, A.K.; Spiegel, W. von; Maagt, P. de; Duvalois. W.; Jagt, O.C. van der; Roskos, H.G.; Haring Bolivar, P.

    2011-01-01

    The terahertz (THz) frequency range is located between microwave and infrared radiation in the electroma¬gnetic spectrum. It spans from 300 GHz up to 10 THz. The transparency of different materials (e.g. cotton, paper, plastics, etc.) especially at lower THz frequencies opens a great variety of

  7. Towards recognition of energetic materials -Terahertz imaging and sensing at higher frequencies

    NARCIS (Netherlands)

    Huhn, A.K.; Spiegel, W. von; Maagt, P. de; Duvalois. W.; Jagt, O.C. van der; Roskos, H.G.; Haring Bolivar, P.

    2011-01-01

    The terahertz (THz) frequency range is located between microwave and infrared radiation in the electroma¬gnetic spectrum. It spans from 300 GHz up to 10 THz. The transparency of different materials (e.g. cotton, paper, plastics, etc.) especially at lower THz frequencies opens a great variety of appl

  8. Toxicity of the Cyclic Nitramine Energetic Material CL-20 to Aquatic Receptors

    Science.gov (United States)

    2007-10-01

    MATERIAL CL-20 TO AQUATIC RECEPTORS Mark V. Haley John S. Anthony Emily A. Davis Carl W. Kurnas Roman G. Kuperman Ronald T. Checkai RESEARCH AND...GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER Haley, Mark V.; Anthony, John S.; Davis, Emily A.; Kurnas , Carl W.; Kuperman

  9. Progress of All-nitrogen Ultrahigh-energetic Materials%全氮型超高能含能材料研究进展

    Institute of Scientific and Technical Information of China (English)

    李玉川; 庞思平

    2012-01-01

    从合成和理论方面综述了全氮型超高能含能材料的研究进展.介绍了从N3到N13、N60、聚合氮(Cg- N)等氮簇含能材料的合成及理论研究情况,总结了各种全氮结构的特点以及在全氮型含能材料合成和理论研究中面临的技术问题,指出了部分全氮型含能材料的研究发展趋势.附参考文献61篇.%The recent developments of all-nitrogen ultrahigh-energetic materials in both experiment and theory were reviewed. The synthesis and theoretical calculation of nitrogen cluster energetic materials from N3 to N13,N60 and cubic gauche nitrogen(Cg-N) , etc were introduced. The characteristics of various all-nitrogen structures and the key issues faced with synthesis and theoretical research of all-nitrogen energetic materials were summarized. The development trends of all-nitrogen ultrahigh-energetic materials were pointed out with 61 references.

  10. Energetics Laboratory Facilities

    Data.gov (United States)

    Federal Laboratory Consortium — These energetic materials laboratories are equipped with explosion proof hoods with blow out walls for added safety, that are certified for safe handling of primary...

  11. Study of void sizes and loading configurations effects on shock initiation due to void collapse in heterogeneous energetic materials

    Science.gov (United States)

    Roy, Sidhartha; Rai, Nirmal; Udaykumar, H. S.

    2015-06-01

    In heterogeneous energetic materials, presence of porosity has been seen to increase its sensitivity towards shock initiation and ignition. Under the application of shock load, the viscoplastic deformation of voids and its collapse leads to the formation of local high temperature regions known as hot spots. The chemical reaction triggers at the hot spot depending on the local temperature and grows eventually leading to ignition and formation of detonation waves in the material. The temperature of the hot spot depends on various factors such as shock strength, void size, void arrangements, loading configuration etc. Hence, to gain deeper understanding on shock initiation and ignition study due to void collapse, a parametric study involving various factors which can affect the hot spot temperature is desired. In the current work, effects of void sizes, shock strength and loading configurations has been studied for shock initiation in HMX using massively parallel Eulerian code, SCIMITAR3D. The chemical reaction and decomposition for HMX has been modeled using Henson-Smilowitz multi step mechanism. The effect of heat conduction has also been taken into consideration. Ignition threshold criterion has been established for various factors as mentioned. The critical hot spot temperature and its size which can lead to ignition has been obtained from numerical experiments.

  12. A Multi-Scale Modeling Framework for Shear Initiated Reactions in Energetic Materials

    Science.gov (United States)

    2013-07-01

    of the dissipative particle dynamics method ( DPD -E) is used for the mesoscale modeling portion of this study. DPD -E is a particle-based mesoscale...method that conserves both momentum and energy, while allowing the mesoparticles to exchange both viscous and thermal energy [11,12]. In the DPD -E...Figure 3. Fig. 3. Sample DPD -E simulation configuration of sheared material just prior to release of elastic energy. Verification of Approach

  13. Seeded Reaction Waves in Composites: Fast Structure Transforming Materials that Respond to Energetic Stimuli

    Science.gov (United States)

    2016-10-21

    network rapidly forms an endoskeletal structure within a flexible rubber, stiffening it up to 18x. Polymer seed particles have also been developed...polarization behaviors (Figure 14b), capsules seem to slightly dark until 40-43 oc (whole screen becomes dark). Interestingly, during cooling process, when...within a flexible material. (Figure 44) The FP process increases Young’s modulus up to 18x and allows for freestanding structures to be rapidly

  14. In-situ nano-crystal-to-crystal transformation synthesis of energetic materials based on three 5,5′-azotetrazolate Cr(III) salts

    Science.gov (United States)

    Miao, Yu; Qiu, Yanxuan; Cai, Jiawei; Wang, Zizhou; Yu, Xinwei; Dong, Wen

    2016-01-01

    The in-situ nano-crystal-to-crystal transformation (SCCT) synthesis provides a powerful approach for tailoring controllable feature shapes and sizes of nano crystals. In this work, three nitrogen-rich energetic nano-crystals based on 5,5′-azotetrazolate(AZT2−) Cr(III) salts were synthesized by means of SCCT methodology. SEM and TEM analyses show that the energetic nano-crystals feature a composition- and structure-dependent together with size-dependent thermal stability. Moreover, nano-scale decomposition products can be obtained above 500 °C, providing a new method for preparing metallic oxide nano materials. PMID:27869221

  15. In-situ nano-crystal-to-crystal transformation synthesis of energetic materials based on three 5,5'-azotetrazolate Cr(III) salts.

    Science.gov (United States)

    Miao, Yu; Qiu, Yanxuan; Cai, Jiawei; Wang, Zizhou; Yu, Xinwei; Dong, Wen

    2016-11-21

    The in-situ nano-crystal-to-crystal transformation (SCCT) synthesis provides a powerful approach for tailoring controllable feature shapes and sizes of nano crystals. In this work, three nitrogen-rich energetic nano-crystals based on 5,5'-azotetrazolate(AZT(2-)) Cr(III) salts were synthesized by means of SCCT methodology. SEM and TEM analyses show that the energetic nano-crystals feature a composition- and structure-dependent together with size-dependent thermal stability. Moreover, nano-scale decomposition products can be obtained above 500 °C, providing a new method for preparing metallic oxide nano materials.

  16. Molecular dynamics simulations of interactions between energetic dust and plasma-facing materials

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Guo-jian, E-mail: niugj@ipp.ac.cn [Institute of Plasma Physics Chinese Academy of Sciences, Hefei (China); Li, Xiao-chun; Xu, Qian; Yang, Zhong-shi [Hefei Center Physical Science and Technology, Hefei (China); Luo, Guang-nan [Institute of Plasma Physics Chinese Academy of Sciences, Hefei (China); Hefei Center Physical Science and Technology, Hefei (China); Hefei Science Center of CAS, Hefei (China)

    2015-11-15

    The interactions between dust and plasma-facing material (PFM) relate to the lifetime of PFM and impurity production. Series results have been obtained theoretically and experimentally but more detailed studies are needed. In present research, we investigate the evolution of kinetic, potential and total energy of plasma-facing material (PFM) in order to understand the dust/PFM interaction process. Three typical impacting energy are selected, i.e., 1, 10 and 100 keV/dust for low-, high- and hyper-energy impacting cases. For low impacting energy, dust particles stick on PFM surface without damaging it. Two typical time points exist and the temperature of PFM grows all the time but PFM structure experience a modifying process. Under high energy case, three typical points appear. The temperature curve fluctuates in the whole interaction process which indicates there are dust/PFM and kinetic/potential energy exchanges. In the hyper-energy case in present simulation, the violence dust/PFM interactions cause sputtering and crater investigating on energy evolution curves. We further propose the statistics of energy distribution. Results show that about half of impacting energy consumes on heating plasma-facing material meanwhile the other half on PFM structure deformation. Only a small proportion becomes kinetic energy of interstitial or sputtering atoms.

  17. Synthesis, characterization and evaluation of 1,2-bis(2,4,6-trinitrophenyl) hydrazine: a key precursor for the synthesis of high performance energetic materials.

    Science.gov (United States)

    Badgujar, D M; Talawar, M B; Harlapur, Sujata F; Asthana, S N; Mahulikar, P P

    2009-12-15

    1,2-Bis(2,4,6-trinitrophenyl) hydrazine (3) is one of the precursors in the synthesis of an important energetic material viz., hexanitrazobenzene. The simple and convenient lab scale synthesis of title compound (3) was carried out by the condensation of picryl chloride (2) with hydrazine hydrate at 30-50 degrees C in methanol based on the lines of scanty literature reports. Picryl chloride was synthesized by the reaction of picric acid (1) with phosphorous oxychloride based on the lines of reported method. The synthesized compound (3) was characterized by IR and 1H NMR spectral data. Some of the energetic properties of the synthesized compound have also been studied. The theoretically computed energetic properties of the title compound (3) indicated the superior performance in comparison to tetranitrodibenzo tetraazapentalene (TACOT) and hexanitrostilbene (HNS) in terms of velocity of detonation.

  18. Development of a high flow source of energetic oxygen atoms for material degradation studies. [of Space Shuttles in low earth orbit environments

    Science.gov (United States)

    Caledonia, G. E.; Krech, R. H.

    1985-01-01

    A technique for the generation, in the laboratory, of thermally 'cold', high flux of energetic oxygen atoms is presented. The flux of nearly mono-energetic oxygen atoms is obtained after a laser-induced breakdown of oxygen molecules followed by a rapid expansion of the recombining plasma. The experimental apparatus, the optical and spectral measurements, the O-atom source characterization, and the material degradation studies are discussed. Average oxygen atom velocities of about 5 to 13 km/s are measured with an estimated flux of 10 to the 18th per pulse, over pulse durations of several microseconds. The flow of the O2 gas for about 200 microseconds before applying the laser pulse is found to give best results. It is also found that the energetic O-atom irradiation of sample targets such as Al, Fe, and polyethylene, induces mass removal. In addition, spectral scans of the radiation reveals the existence of two main spectral subsets.

  19. Advances in the chemical conversion of energetic materials to higher value products

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A.R.; Pagoria, P.F.; Sanner, R.D. [Lawrence Livermore National Lab., CA (United States). Energetic Materials Center

    1995-01-24

    The objective of this program is to develop novel, innovative solutions for the disposal of surplus explosives resulting from the demilitarization of nuclear and conventional munitions by DOE and DoD. Studies related to the conversion of TNT and Explosive D to potentially useful materials are described. The paper describes the feasibility of conversion of TNT to TATB; conversion of TNT to 3,5-diamino-2,4,6-trinitrotoluene (DATNT); conversion of TNT to tolylene 2,4-diisocyanate (TDI) and nitrotolylene and diisocyanate (NTDI); chelating resins derived from trinitroarenes.

  20. Simultaneous Imaging and Spectroscopy of Detonation Interaction in Reactive and Energetic Materials.

    Science.gov (United States)

    Johnson, Stephanie; Clemenson, Michael; Glumac, Nick

    2017-01-01

    A dual framing camera system was coupled with custom-designed ultrafast imaging spectrometer optics to yield simultaneous imaging and imaging spectroscopy of extremely short detonation interaction events in reactive materials. For short exposures of 100 ns or less, spectral resolutions of 2.4 Å are achievable, allowing for time-resolved identification of key intermediate species evolving from prompt reaction. Under some circumstances, emission can be fit to a local emission temperature, assuming the optically thin limit. Applications to reactive metal systems involving aluminum, magnesium, titanium, boron, and silicon are demonstrated.

  1. Final report on the oxidation of energetic materials in supercritical water. Final Air Force report

    Energy Technology Data Exchange (ETDEWEB)

    Buelow, S.J.; Allen, D.; Anderson, G.K. [and others

    1995-04-03

    The objective of this project was to determine the suitability of oxidation in supercritical fluids (SCO), particularly water (SCWO), for disposal of propellants, explosives, and pyrotechnics (PEPs). The SCO studies of PEPs addressed the following issues: The efficiency of destruction of the substrate. The products of destruction contained in the effluents. Whether the process can be conducted safely on a large scale. Whether energy recovery from the process is economically practicable. The information essential for process development and equipment design was also investigated, including issues such as practical throughput of explosives through a SCWO reactor, reactor materials and corrosion, and models for process design and optimization.

  2. The Methodology of Calculation of Cutting Forces When Machining Composite Materials

    Science.gov (United States)

    Rychkov, D. A.; Yanyushkin, A. S.

    2016-08-01

    Cutting of composite materials has specific features and is different from the processing of metals. When this characteristic intense wear of the cutting tool. An important criterion in the selection process parameters composite processing is the value of the cutting forces, which depends on many factors and is determined experimentally, it is not always appropriate. The study developed a method of determining the cutting forces when machining composite materials and the comparative evaluation of the calculated and actual values of cutting forces. The methodology for calculating cutting forces into account specific features of the cutting tool and the extent of wear, the strength properties of the processed material and cutting conditions. Experimental studies conducted with fiberglass milling cutter equipped with elements of hard metal VK3M. The discrepancy between the estimated and the actual values of the cutting force is not more than 10%.

  3. From N-Nitro to N-Nitroamino: Preparation of High-Performance Energetic Materials by Introducing Nitrogen-Containing Ions.

    Science.gov (United States)

    Yin, Ping; Shreeve, Jean'ne M

    2015-11-23

    In the design of energetic materials, high energetic performance and good molecular stability are two main goals. Energetic functionalization which strives for maximum energy often results in unstable chemical bonds and causes safety problems in practical production and storage operations. In this work, N-nitro- and N-nitroamino-functionalized mono- and bis(1,2,4-triazoles) were synthesized and characterized by infrared, and multinuclear NMR spectra, and elemental analyses. The N-nitroamino-functionalization strategy was employed for bis(imidazole), leading to high density compound 14 (2.007 g cm(-3) at 100 K; 1.94 g cm(-3) at room temperature) and energetic salt 15. While N-nitro-functionalized products are thermally unstable and highly moisture sensitive, N-nitroamino-functionalized energetic salts, which are comprised of additional nitrogen-containing ions, exhibit good density, moderate to excellent structural stabilities, and high performance. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The effects of energetic proton bombardment on polymeric materials: Experimental studies and degradation models

    Science.gov (United States)

    Coulter, D. R.; Gupta, A.; Smith, M. V.; Fornes, R. E.

    1986-01-01

    This report describes 3 MeV proton bombardment experiments on several polymeric materials of interest to NASA carried out on the Tandem Van De Graff Accelerator at the California Institute of Technology's Kellogg Radiation Laboratory. Model aromatic and aliphatic polymers such as poly(1-vinyl naphthalene) and poly(methyl methacrylate), as well as polymers for near term space applications such as Kapton, Epoxy and Polysulfone, have been included in this study. Chemical and physical characterization of the damage products have been carried out in order to develop a model of the interaction of these polymers with the incident proton beam. The proton bombardment methodology developed at the Jet Propulsion Laboratory and reported here is part of an ongoing study on the effects of space radiation on polymeric materials. The report is intended to provide an overview of the mechanistic, as well as the technical and experimental, issues involved in such work rather than to serve as an exhaustive description of all the results.

  5. Law machines: scale models, forensic materiality and the making of modern patent law.

    Science.gov (United States)

    Pottage, Alain

    2011-10-01

    Early US patent law was machine made. Before the Patent Office took on the function of examining patent applications in 1836, questions of novelty and priority were determined in court, within the forum of the infringement action. And at all levels of litigation, from the circuit courts up to the Supreme Court, working models were the media through which doctrine, evidence and argument were made legible, communicated and interpreted. A model could be set on a table, pointed at, picked up, rotated or upended so as to display a point of interest to a particular audience within the courtroom, and, crucially, set in motion to reveal the 'mode of operation' of a machine. The immediate object of demonstration was to distinguish the intangible invention from its tangible embodiment, but models also'machined' patent law itself. Demonstrations of patent claims with models articulated and resolved a set of conceptual tensions that still make the definition and apprehension of the invention difficult, even today, but they resolved these tensions in the register of materiality, performativity and visibility, rather than the register of conceptuality. The story of models tells us something about how inventions emerge and subsist within the context of patent litigation and patent doctrine, and it offers a starting point for renewed reflection on the question of how technology becomes property.

  6. Millisecond laser machining of transparent materials assisted by a nanosecond laser with different delays.

    Science.gov (United States)

    Pan, Yunxiang; Lv, Xueming; Zhang, Hongchao; Chen, Jun; Han, Bing; Shen, Zhonghua; Lu, Jian; Ni, Xiaowu

    2016-06-15

    A millisecond laser combined with a nanosecond laser was applied to machining transparent materials. The influences of delay between the two laser pulses on processing efficiencies and modified sizes were studied. In addition, a laser-supported combustion wave (LSCW) was captured during laser irradiation. An optimal delay corresponding to the highest processing efficiency was found for cone-shaped cavities. The modified size as well as the lifetime and intensity of the LSCW increased with the delay decreasing. Thermal cooperation effects of defects, overlapping effects of small modified sites, and thermal radiation from LSCW result in all the phenomena.

  7. Conversion of Surplus Energetic Materials to Higher Value Products. A New Production of TATB

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A R; Coburn, M D; Schmidt, R D; Pagoria, P F; Lee, G S

    2002-07-11

    The progression of this project from a general demilitarization activity to the development of a new production of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is described. There are four major synthetic routes to TATB. Only one of these routes has been used in the industrial production of TATB. There is a need to replace this route, which employs relatively harsh reaction conditions (elevated temperatures, strong acid) and a halocarbon starting material, with a less expensive and more environmentally friendly process. The Livermore process, which uses chemistry based on the vicarious nucleophilic substitution (VNS) of hydrogen and employment of relatively inexpensive feedstocks, is described and compared with other routes to TATB. Process development studies and the issue of TATB purification are also discussed.

  8. Analysis on shock attenuation in gap test configuration for characterizing energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bohoon; Yoh, Jack J., E-mail: jjyoh@snu.ac.kr [Seoul National University, Seoul 151-742 (Korea, Republic of); Park, Jungsu [Agency for Defense Development, Daejeon 305-600 (Korea, Republic of)

    2016-04-14

    A pyrotechnic system consisting of donor/acceptor pair separated by a gap relies on shock attenuation characteristics of the gap material and shock sensitivity of the donor and the acceptor charges. Despite of its common use, a numerical study of such a pyrotechnic train configuration is seldom reported because proper modeling of the full process requires precise capturing of the shock wave attenuation in the gap prior to triggering a full detonation of a high explosive and accurate description of the high strain rate dynamics of the explosively loaded inert confinements. We apply a hybrid particle level-set based multimaterial hydrocode with reactive flow models for pentolite donor and heavily aluminized cyclotrimethylene-trinitramine as the acceptor charge. The complex shock interaction, a critical gap thickness, an acoustic impedance, and go/no-go characteristics of the pyrotechnic system are quantitatively investigated.

  9. Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials.

    Energy Technology Data Exchange (ETDEWEB)

    Kay, Jeffrey J; Park, Samuel; Kohl, Ian Thomas; Knepper, Robert

    2017-09-01

    In this work, shock-induced reactions in high explosives and their chemical mechanisms were investigated using state-of-the-art experimental and theoretical techniques. Experimentally, ultrafast shock interrogation (USI, an ultrafast interferometry technique) and ultrafast absorption spectroscopy were used to interrogate shock compression and initiation of reaction on the picosecond timescale. The experiments yielded important new data that appear to indicate reaction of high explosives on the timescale of tens of picoseconds in response to shock compression, potentially setting new upper limits on the timescale of reaction. Theoretically, chemical mechanisms of shock-induced reactions were investigated using density functional theory. The calculations generated important insights regarding the ability of several hypothesized mechanisms to account for shock-induced reactions in explosive materials. The results of this work constitute significant advances in our understanding of the fundamental chemical reaction mechanisms that control explosive sensitivity and initiation of detonation. * Principal Investigator. jjkay@sandia.gov

  10. Combination of Universal Mechanical Testing Machine with Atomic Force Microscope for Materials Research

    Science.gov (United States)

    Zhong, Jian; He, Dannong

    2015-08-01

    Surface deformation and fracture processes of materials under external force are important for understanding and developing materials. Here, a combined horizontal universal mechanical testing machine (HUMTM)-atomic force microscope (AFM) system is developed by modifying UMTM to combine with AFM and designing a height-adjustable stabilizing apparatus. Then the combined HUMTM-AFM system is evaluated. Finally, as initial demonstrations, it is applied to analyze the relationship among macroscopic mechanical properties, surface nanomorphological changes under external force, and fracture processes of two kinds of representative large scale thin film materials: polymer material with high strain rate (Parafilm) and metal material with low strain rate (aluminum foil). All the results demonstrate the combined HUMTM-AFM system overcomes several disadvantages of current AFM-combined tensile/compression devices including small load force, incapability for large scale specimens, disability for materials with high strain rate, and etc. Therefore, the combined HUMTM-AFM system is a promising tool for materials research in the future.

  11. Altered combustion characteristics of metallized energetics due to stable secondary material inclusion

    Science.gov (United States)

    Terry, Brandon C.

    Though metals and metalloids have been widely considered as reactive fuels, the ability to tune their ignition and combustion characteristics remains challenging. One means to accomplish this may be through low-level inclusion of secondary materials into the metallized fuel. While there are several potential methods to stably introduce secondary inclusion materials, this work focuses on the use of mechanical activation (MA) and metal alloys. Recent work has shown that low-level inclusion of fluoropolymers into aluminum particles can have a substantial effect on their combustion characteristics. The reflected shock ignition of mechanically activated aluminum/polytetrafluoroethylene (MA Al/PTFE) is compared to a physical mixture (PM) of Al/PTFE, neat spherical aluminum, and flake aluminum. It was found that the powders with higher specific surface areas ignited faster than the spherical particles of the same size, and had ignition delay times comparable to agglomerates of aluminum particles that were two orders of magnitude smaller in size. Flake aluminum powder had the same ignition delay as MA Al/PTFE, indicating that any initial aluminum/fluoropolymer reactions did not yield an earlier onset of aluminum oxidation. However, MA Al/PTFE did have a shorter total burn time. The PM of Al/PTFE powder had a shorter ignition delay than neat spherical aluminum due to the rapid decomposition of PTFE into reactive fluorocarbon compounds, but the subsequent fluorocarbon reactions also created a secondary luminosity profile that significantly increased the total burn time of the system. The explosive shock ignition of aluminum and aluminum-silicon eutectic alloy compacts was evaluated with and without polymer inclusions. A statistical analysis was completed, investigating the effects of: detonation train orientation (into or not into a hard surface); the high explosive driver; whether the metal/polymer system is mechanically activated; particle size; particle morphology

  12. Theoretical study of an energetic material di-1H-1,3,4-triazole derivatives

    Directory of Open Access Journals (Sweden)

    Hua Zhou

    2014-12-01

    Full Text Available Computations by density functional theory (DFT method are performed on a series of di-1H-1,3,4-triazole derivatives with different substituents and linkages. The heat of formation (HOF is predicted by the designed isodesmic reactions. The predicted results reveal that –N3 and –NN– groups are effective structural units for increasing the HOF values of the di-1H-1,3,4-triazole derivatives. The HOMO–LUMO gap is affected by the substituents and linkage groups. Detonation performance is evaluated using the Kamlet–Jacobs approach based on the calculated density and HOF. The results indicate that –NO2, –NF2, –NH–, –NH–NH– and –NN– groups are helpful for enhancing the detonation properties of di-1H-1,3,4-triazole derivatives. The bond dissociation energy and bond order of the weakest bonds are analyzed to investigate their stability. It is observed that the –CH2–, –CH2–CH2– and –CHCH– groups are effective structural units for improving the stabilities of these derivatives. Considering the detonation performance and the stability, five compounds are screened as the potential candidates for high energy density materials.

  13. Theoretical study of an energetic material di-1H-1,3,4-triazole derivatives

    Institute of Scientific and Technical Information of China (English)

    Hua ZHOU; Zhong-liang MA; Jian-long WANG; Dong WANG

    2014-01-01

    Computations by density functional theory (DFT) method are performed on a series of di-1H-1,3,4-triazole derivatives with different sub-stituents and linkages. The heat of formation (HOF ) is predicted by the designed isodesmic reactions. The predicted results reveal that eN3 and eN]Ne groups are effective structural units for increasing the HOF values of the di-1H-1,3,4-triazole derivatives. The HOMOeLUMO gap is affected by the substituents and linkage groups. Detonation performance is evaluated using the KamleteJacobs approach based on the calculated density and HOF. The results indicate that eNO2, eNF2, eNHe, eNHeNHe and eN]Ne groups are helpful for enhancing the detonation properties of di-1H-1,3,4-triazole derivatives. The bond dissociation energy and bond order of the weakest bonds are analyzed to investigate their stability. It is observed that the eCH2e, eCH2eCH2e and eCH]CHe groups are effective structural units for improving the stabilities of these derivatives. Considering the detonation performance and the stability, five compounds are screened as the potential candidates for high energy density materials.

  14. The Many Faces of FOX-7: A Precursor to High-Performance Energetic Materials.

    Science.gov (United States)

    Gao, Haixiang; Shreeve, Jean'ne M

    2015-05-18

    New derivatives of 1,1-diamino-2, 2-dinitroethene (FOX-7) are reported. These highly oxygen- and nitrogen-rich compounds were fully characterized using IR and multinuclear NMR spectroscopy, elemental analysis (EA), and differential scanning calorimetry (DSC). X-ray structure determination of (E)-1,2-bis{(E)-2-chloro-1-(chloroimino)-2,2-dinitroethyl}diazene) (10), N1, N2-dichloro-1, 2-diazenedicarboximidamide (11), and (E,E)-N,N'-1,2-ethanediylidenebis(2, 2-dinitro-2-chloro-ethanamine) (12) was helpful in their characterization. Heats of formation (HOF) were calculated (Gaussian 03) and combined with experimental densities to estimate the detonation velocities (D) and pressures (P) of the high-energy-density materials (HEDMs) (EXPLO5, v6.01). The compounds exhibit good thermal stability, high density, positive HOF, acceptable oxygen balances, and excellent detonation properties, which often are superior to that of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Synthesis and energetic properties of TAGDNAT: a new high-nitrogen material

    Energy Technology Data Exchange (ETDEWEB)

    Chavez, David E [Los Alamos National Laboratory

    2008-01-01

    This paper describes the synthesis and characterization of Bis-(triaminoguanidinium)3,3'-dinitro5,5'-azo-1,2,4-triazolate (TAGDNAT), a novel high-nitrogen molecule that derives its energy release from both a high heat of formation and intramolecular oxidation reactions. TAGDNAT shows promise as a propellant or explosive ingredient not only due to its high nitrogen content (66.35 wt%) but additionally due to its high hydrogen content (4.34 wt%). This new molecule has been characterized with respect to its morphology, sensitivity properties, explosive and combustion performance. The heat of formation of TAGDNAT was also experimentally determined. The results of these studies show that TAGDNAT has one of the gastest low-pressure burning rates (at 1000 PSI) we have yet measured, 6.79 cm/s at 100 p.s.i. (39% faster than triaminoguanidinium azotetrazolate (TAGzT), a comparable high-nitrogen/high-hydrogen material). Furthermore, its pressure sensitivity is 0.507, a 33% reduction compared to TAGzT.

  16. Evaluating the bulk Lorentz factors of outflow material: lessons learned from the extremely-energetic outburst GRB 160625B

    CERN Document Server

    Wang, Yuan-Zhu; Zhang, Shuai; Liang, Yun-Feng; Jin, Zhi-Ping; He, Hao-Ning; Liao, Neng-Hui; Fan, Yi-Zhong; Wei, Da-Ming

    2016-01-01

    GRB 160625B is an extremely-bright outburst with well-monitored afterglow emission. The geometry-corrected energy is high up to $\\sim 5.2\\times10^{52}$ erg or even $\\sim 8\\times 10^{52}$ erg, rendering it the most energetic GRB prompt emission recorded so far. We analyzed the time-resolved spectra of the prompt emission and found that in some intervals there were likely thermal-radiation components and the high energy emission were characterized by significant cutoff. The bulk Lorentz factors of the outflow material are estimated accordingly. We found out that the Lorentz factors derived in the thermal-radiation model are consistent with the luminosity-Lorentz factor correlation found in other bursts as well as in GRB 090902B for the time-resolved thermal-radiation components. While the spectral cutoff model yields much lower Lorentz factors that are in tension with the constraints set by the electron pair Compoton scattering process. We then suggest that these spectral cutoffs are more likely related to the ...

  17. Eigenvalue analysis and calculations for the deflagration of porous energetic materials in the merged-flame regime

    Energy Technology Data Exchange (ETDEWEB)

    Ilincic, N. [Univ. of California, La Jolla, CA (United States). Dept. of Applied Mechanics and Engineering Sciences; Margolis, S.B. [Sandia National Labs., Livermore, CA (United States)

    1996-07-01

    Analytical and numerical calculations of the structure and burning rate of a deflagrating porous energetic material are presented for the limiting case of merged condensed and gas-phase reaction zones. The reaction scheme is modeled by a global two-step mechanism, applicable to certain types of degraded nitramine propellants and consisting of sequential condensed and gaseous steps. Taking into account important effects due to multiphase flow and exploiting the limit of large activation energies, a theoretical analysis may be developed based on activation-energy asymptotics. For steady, planar deflagration, this leads to an eigenvalue problem for the inner reaction-zone, the solution of which determines the burning rate. Numerical solutions give a reasonably complete description of the dependence of the structure and burning rate on the various parameters in the problem, and show excellent agreement with analytical results that are obtained in a more limited parameter regime in which most of the heat release is produced by the condensed-phase reaction and the porosity of the solid is small. These calculations indicate the significant influences of two-phase flow and the multiphase, multi-step chemistry on the deflagration structure and the burning rate, and thus serve to define an important parameter regime that supports the intrusion of the primary gas flame into the two-phase condensed decomposition region at the propellant surface.

  18. Economic and environmental assessment on the energetic valorization of organic material for a municipality in Quebec, Canada

    Energy Technology Data Exchange (ETDEWEB)

    Morin, Philippe; Marcos, Bernard [Departement de genie chimique et genie biotechnologique, Universite de Sherbrooke, Sherbrooke, Quebec (Canada); Moresoli, Christine [Chemical Engineering Department, University of Waterloo, Waterloo, Ontario (Canada); Laflamme, Claude B. [Laboratoire des technologies de l' energie (LTE), Hydro-Quebec - Institut de recherche, Shawinigan, Quebec (Canada)

    2010-01-15

    Waste-to-energy provides a solution to two problems: waste management and energy generation. An integrated anaerobic waste valorization process is an interesting option, but because of investments cost and low energy value in the province of Quebec, it is hard for a municipality to commit to that solution. This paper investigated the economic possibilities to manage organic material, organic fraction of municipal solid waste, and municipal wastewater sludge by anaerobic digestion for a 150,000 inhabitant municipality, with consideration to energy generation and greenhouse gas emission reduction. Using the biogas to co-generation solution brings a payback time on investment (PBT) of 3.7 years with electricity price at 0.10 $Cdn/kW h. The addition of manure from surrounding farms increases the biogas production by 37%, but increases the PBT to 6.8 years unless the leftover digestate can be used for agronomic valorization; then it becomes economically advantageous. The natural gas purchasing cost is too low to promote the enrichment of biogas into renewable natural gas. However, this scenario has the lowest energetic payback time (3.3 years) and reduces the most greenhouse gas emissions (4261 tCO{sub 2}eq/a). (author)

  19. Proximal Detection of Traces of Energetic Materials with an Eye-Safe UV Raman Prototype Developed for Civil Applications.

    Science.gov (United States)

    Chirico, Roberto; Almaviva, Salvatore; Colao, Francesco; Fiorani, Luca; Nuvoli, Marcello; Schweikert, Wenka; Schnürer, Frank; Cassioli, Luigi; Grossi, Silvana; Murra, Daniele; Menicucci, Ivano; Angelini, Federico; Palucci, Antonio

    2015-12-22

    A new Raman-based apparatus for proximal detection of energetic materials on people, was developed and tested for the first time. All the optical and optoelectronics components of the apparatus, as well as their optical matching, were carefully chosen and designed to respect international eye-safety regulations. In this way, the apparatus is suitable for civil applications on people in public areas such as airports and metro or railway stations. The acquisition software performs the data analysis in real-time to provide a fast response to the operator. Moreover, it allows for deployment of the apparatus either as a stand alone device or as part of a more sophisticated warning system architecture made up of several sensors. Using polyamide as substrate, the apparatus was able to detect surface densities of ammonium nitrate (AN), 2-methyl-1,3,5-trinitrobenzene (TNT), 3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate (PETN) and urea nitrate (UN) in the range of 100-1000 μg/cm² at a distance of 6.4 m using each time a single laser pulse of 3 mJ/cm². The limit of detection calculated for AN is 289 μg/cm². AN and UN provided the highest percentages of true positives (>82% for surface densities of 100-400 μg/cm² and fingerprints) followed by TNT and PETN (17%-70% for surface densities of 400-1000 μg/cm² and fingerprints).

  20. Proximal Detection of Traces of Energetic Materials with an Eye-Safe UV Raman Prototype Developed for Civil Applications

    Directory of Open Access Journals (Sweden)

    Roberto Chirico

    2015-12-01

    Full Text Available A new Raman-based apparatus for proximal detection of energetic materials on people, was developed and tested for the first time. All the optical and optoelectronics components of the apparatus, as well as their optical matching, were carefully chosen and designed to respect international eye-safety regulations. In this way, the apparatus is suitable for civil applications on people in public areas such as airports and metro or railway stations. The acquisition software performs the data analysis in real-time to provide a fast response to the operator. Moreover, it allows for deployment of the apparatus either as a stand alone device or as part of a more sophisticated warning system architecture made up of several sensors. Using polyamide as substrate, the apparatus was able to detect surface densities of ammonium nitrate (AN, 2-methyl-1,3,5-trinitrobenzene (TNT, 3-nitrooxy-2,2-bis(nitrooxymethylpropyl] nitrate (PETN and urea nitrate (UN in the range of 100–1000 μg/cm2 at a distance of 6.4 m using each time a single laser pulse of 3 mJ/cm2. The limit of detection calculated for AN is 289 μg/cm2. AN and UN provided the highest percentages of true positives (>82% for surface densities of 100–400 μg/cm2 and fingerprints followed by TNT and PETN (17%–70% for surface densities of 400–1000 μg/cm2 and fingerprints.

  1. Evaluating the Bulk Lorentz Factors of Outflow Material: Lessons Learned from the Extremely Energetic Outburst GRB 160625B

    Science.gov (United States)

    Wang, Yuan-Zhu; Wang, Hao; Zhang, Shuai; Liang, Yun-Feng; Jin, Zhi-Ping; He, Hao-Ning; Liao, Neng-Hui; Fan, Yi-Zhong; Wei, Da-Ming

    2017-02-01

    GRB 160625B is an extremely bright outburst with well-monitored afterglow emission. The geometry-corrected energy is high, up to ˜5.2 × 1052 erg or even ˜8 × 1052 erg, rendering it the most energetic GRB prompt emission recorded so far. We analyzed the time-resolved spectra of the prompt emission and found that in some intervals there were likely thermal-radiation components and the high energy emission was characterized by significant cutoff. The bulk Lorentz factors of the outflow material are estimated accordingly. We found out that the Lorentz factors derived in the thermal-radiation model are consistent with the luminosity-Lorentz factor correlation found in other bursts, as well as in GRB 090902B for the time-resolved thermal-radiation components, while the spectral cutoff model yields much lower Lorentz factors that are in tension with the constraints set by the electron pair Compton scattering process. We then suggest that these spectral cutoffs are more likely related to the particle acceleration process and that one should be careful in estimating the Lorentz factors if the spectrum cuts at a rather low energy (e.g., ˜tens of MeV). The nature of the central engine has also been discussed, and a stellar-mass black hole is favored.

  2. SPECTRAL PROPERTIES OF LARGE GRADUAL SOLAR ENERGETIC PARTICLE EVENTS. I. FE, O, AND SEED MATERIAL

    Energy Technology Data Exchange (ETDEWEB)

    Desai, M. I.; Dayeh, M. A.; Ebert, R. W.; Mccomas, D. J.; Schwadron, N. A. [Southwest Research Institute, 6220 Culebra Road, San Antonio, TX 78238 (United States); Mason, G. M. [Johns Hopkins University/Applied Physics Laboratory, Laurel, MD 20723 (United States); Li, G. [CSPAR, University of Alabama in Huntsville, Huntsville, AL 35756 (United States); Cohen, C. M. S.; Mewaldt, R. A. [California Institute of Technology, Pasadena, CA 91125 (United States); Smith, C. W., E-mail: mdesai@swri.edu [Department of Physics and Space Science Center, University of New Hampshire, Durham, NH 03824 (United States)

    2016-01-10

    We have surveyed ∼0.1–100 MeV nucleon{sup −1} O and Fe fluence spectra during 46 isolated, large gradual SEP events observed at ACE during solar cycles 23 and 24. Most SEP spectra are well represented by the four-parameter Band function with a normalization constant, low-energy spectral slope, high-energy spectral slope, and break energy. The O and Fe spectral slopes are similar and most spectra steepen above the break energy, probably due to common acceleration and transport processes affecting different ion species. SEP spectra above the break energies depend on the origin of the seed population; larger contributions of suprathermal flare material result in higher Fe/O ratios and flatter spectra at higher energies. SEP events with steeper O spectra at low energies and higher break energies are associated with slower coronal mass ejections (CMEs), while those associated with fast (>2000 km s{sup −1}) CMEs and ground level enhancements have harder or flatter spectra at low and high energies, and O break energies between ∼1 and 10 MeV nucleon{sup −1}. The latter events are enriched in {sup 3}He and higher-energy Fe, and have Fe spectra that rollover at significantly lower energies compared with O, probably because Fe ions with smaller Q/M ratios can escape from the distant shock more easily than O ions with larger Q/M ratios. We conclude that SEP spectral properties result from many complex and competing effects, namely Q/M-dependent scattering, shock properties, and the origin of the seed populations, all of which must be taken into account to develop a comprehensive picture of CME-driven shock acceleration of large gradual SEP events.

  3. Initial mechanisms for the unimolecular decomposition of electronically excited nitrogen-rich energetic materials with tetrazole rings: 1-DTE, 5-DTE, BTA, and BTH.

    Science.gov (United States)

    Yuan, Bing; Bernstein, Elliot R

    2016-06-21

    Unimolecular decomposition of nitrogen-rich energetic molecules 1,2-bis(1H-tetrazol-1-yl)ethane (1-DTE), 1,2-bis(1H-tetrazol-5-yl)ethane (5-DET), N,N-bis(1H-tetrazol-5-yl)amine (BTA), and 5,5'-bis(tetrazolyl)hydrazine (BTH) has been explored via 283 nm two photon laser excitation. The maximum absorption wavelength in the UV-vis spectra of all four materials is around 186-222 nm. The N2 molecule, with a cold rotational temperature (energetic molecules open at the N1-N2 ring bond with the lowest energy barrier: the C-N bond opening has higher energy barrier than that for any of the N-N ring bonds. Therefore, the tetrazole rings open at their N-N bonds to release N2. The vibrational temperatures of N2 product from all four energetic materials are hot based on theoretical calculations. The different groups (CH2-CH2, NH-NH, and NH) joining the tetrazole rings can cause apparent differences in explosive behavior of 1-DTE, 5-DTE, BTA, and BTH. Conical intersections, non-Born-Oppenheimer interactions, and dynamics are the key features for excited electronic state chemistry of organic molecules, in general, and energetic molecules, in particular.

  4. Research on ultrasonic vibration aided femtosecond laser machining process of transparent materials

    Science.gov (United States)

    Dai, Yutang; Liu, Bin; Yin, Guanglin; Li, Tao; Karanja, Joseph M.

    2015-08-01

    A new process of femtosecond laser micromachining with ultrasonic vibration aided is proposed. An ultrasonic aided device has been designed, and the laser micromachining experiments of transparent materials have been carried out. The effects of the ultrasonic vibration with different power on surface quality and the drilling depth have been investigated, and the mechanism of the ultrasonic vibration aided laser machining has been analyzed. After introducing the ultrasonic vibration device, the residue debris on surface of the ablated trench is significantly reduced, and the drilling depth is increased. These results show that, ultrasonic vibration can effectively improve the surface quality of material processing, increase the depth of the drilling hole and promote the processing efficiency of the femtosecond laser.

  5. Removal properties of low-thermal-expansion materials with rotating-sphere elastic emission machining

    Directory of Open Access Journals (Sweden)

    Masahiko Kanaoka et al

    2007-01-01

    Full Text Available Optical mirrors used in extreme ultraviolet lithography systems require a figure accuracy and a roughness of about 0.1 nm rms. In addition, mirror substrates must be low-thermal-expansion materials. Thus, in this study, we processed two low-thermal-expansion materials, ULE [K. Hrdina, B. Hanson, P. Fenn, R. Sabia, Proc. SPIE 4688 (2002 454.] (Corning Inc. and Zerodur [I. Mitra, M.J. Davis, J. Alkemper, Rolf Müller, H. Kohlmann, L. Aschke, E. Mörsen, S. Ritter, H. Hack, W. Pannhorst, Proc. SPIE 4688 (2002 462.] (SCHOTT AG, with elastic emission machining (EEM in order to evaluate the removal properties. Consequently, we successfully calculated the respective removal rates, because removal volumes were found to be proportional to process times in EEM. Moreover, we demonstrated that the surface roughness of Zerodur is reduced to 0.1 nm rms in the spatial wavelength range from 100 μm to 1 mm.

  6. Bone response to machined and resorbable blast material titanium implants: an experimental study in rabbits.

    Science.gov (United States)

    Piattelli, Maurizio; Scarano, Antonio; Paolantonio, Michele; Iezzi, Giovanna; Petrone, Giovanna; Piattelli, Adriano

    2002-01-01

    The aim of the present study was a comparison of implants' responses to a machined surface and to a surface sandblasted with hydroxyapatite (HA) particles (resorbable blast material [RBM]). Threaded machined and RBM, grade 3, commercially pure, titanium, screw-shaped inplants were used in this study. Twenty-four New Zealand white mature male rabbits were used. The inplants were inserted into the articular femoral knee joint according to a previously described technique. Each rabbit received 2 inplants, 1 test (RBM) and 1 control (machined). A total of 48 implants (24 control and 24 test) were inserted. The rabbits were anesthetized with intramuscular injections of fluanisone (0.7 mg/ kg body weight) and diazepam (1.5 mg/kg b.wt.), and local anesthesia was given using 1 mL of 2% lidocaine/adrenalin solution. Two rabbits died in the postoperative course. Four animals were euthanatized with an overdose of intravenous pentobarbital after 1, 2, 3, and 4 weeks; 6 rabbits were euthanatized after 8 weeks. A total of 44 implants were retrieved. The specimens were processed with the Precise 1 Automated System to obtain thin ground sections. A total of 3 slides were obtained for each implant. The slides were stained with acid and basic fuchsin and toluidine blue. The slides were observed in normal transmitted light under a Leitz Laborlux microscope, and histomorphometric analysis was performed. With the machined implants, it was possible to observe the presence of bone trabeculae near the implant surface at low magnification. At higher magnification many actively secreting alkaline phosphatasepositive (ALP+) osteoblasts were observed. In many areas, a not yet mineralized matrix was present. After 4 to 8 weeks, mature bone appeared in direct contact with the implant surface, but in many areas a not yet mineralized osteoid matrix was interposed between the mineralized bone and implant surface. In the RBM implants, many ALP+ osteoblasts were present and in direct contact with

  7. Effects of slot closure by soft magnetic powder wedge material in axial-field permanent magnet brushless machines

    Science.gov (United States)

    Gair, S.; Eastham, J. F.; Canova, A.

    1996-04-01

    The article reports on a study of the effects of slot closure in axial-field permanent magnet brushless machines by a two-dimensional finite element method (2D FEM) of analysis. The closure of the slots is made by using soft magnetic powder wedge material. Parameter values and machine performance for the open and closed slot configuration are computed. In order to test the 2D FEM model, calculated results are compared with measurements and favorable agreement is shown.

  8. Studies on the Material Removal Rate of Al-SiC Composites Machined by Powder- Mixed EDM Technique

    Directory of Open Access Journals (Sweden)

    G P Anuraag

    2016-04-01

    Full Text Available The metal-matrix composites are preferred due to their high hardness, light weight, flexibility, high strength, simplicity and ease of applicability which make them potentially valuable in every industrious area like motor vehicles industries, mechanical tools manufacturing industries, structural applications and aerospace industries. Electro-discharge machining is a non-conventional machining process which uses short electrical discharges to machine any material of any hardness and strength levels provided that they are electrically conductive. In this paper, an attempt was made to find the machinability of aluminium metal matrix composite using powder mixed electric discharge machining (PMEDM. The aluminium matrix was reinforced with different percentages of silicon carbide (3%, 9% & 15% to form the composites using stir casting process. The Characteristic Material removal rate (MRR was studied while varying the process parameters of discharge time (TON, peak current (I and concentration of SiC in work material (C according to the face cantered central composite design for a constant voltage of 40 volts. The Electric Discharge Machining of the composites was carried out using a copper electrode of Ø6mm and kerosene mixed with aluminium powder was used as dielectric fluid.

  9. Experimental measurement of the thermal diffusivity of energetic materials in unsteady regime; Mesure experimentale de la diffusivite thermique des materiaux energetiques en regime instationnaire

    Energy Technology Data Exchange (ETDEWEB)

    Brunet, L.; Lombard, J.M.; Morand, P. [Giat Industries, 18 - Bourges (France); Blaise, B. [Universite d`Orleans, 45 - Orleans (France)

    1996-12-31

    The Fourier conduction law is used in any modeling of thermal aggressions of energetic materials where chemical reaction kinetics and phase transformations interfere. The heat conduction capability of the material is explained by the thermal diffusivity. This work describes the procedure used for the measurement of this parameter according to the experimental constraints linked with the handling of explosive materials. A calculation code allowing the exploitation of measurements is presented. The validation of this procedure and its variability are also described. (J.S.) 3 refs.

  10. Megaamps, Megagauss, and Megabars: Using the Sandia Z Machine to perform extreme material dynamics experiments

    Science.gov (United States)

    Knudson, Marcus

    2011-06-01

    Pulsed power devices are quite efficient at producing very large pulsed current and magnetic field densities. The corresponding Lorentz forces enable these devices to be used very effectively in material dynamics experiments. For the past decade, a large, interdisciplinary team at Sandia National Laboratories has been refining the Z Machine (20+ MA and 10+ MGauss) into a mature, robust, and precise platform for such studies in the multi-Mbar pressure regime. In particular, significant effort has gone into effectively coupling condensed matter theory, magneto-hydrodynamic simulation, and electromagnetic modeling to produce a fully self-consistent simulation capability able to very accurately predict the performance of the Z machine and various experimental load configurations. This capability has been instrumental in the ability to develop experimental platforms to routinely perform magnetic ramp compression experiments to over 4 Mbar, and magnetically accelerate flyer plates to over 40 km/s, creating over 20 Mbar impact pressures. Furthermore, a strong tie has been developed between the condensed matter theory and the experimental program. This coupling has been proven time and again to be extremely fruitful, with the capability of both theory and experiment being challenged and advanced through this close interrelationship. This talk will provide an overview of the material dynamics platform and discuss several examples of the use of Z to perform extreme material dynamics studies with unprecedented accuracy in support of basic science, planetary astrophysics, inertial confinement fusion, and the emerging field of high energy density laboratory physics. Sandia is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-ACO4-94AL85000.

  11. Converters and electric machines. Solid insulating materials. Electrical characteristics; Convertisseurs et machines electriques. Materiaux isolants solides. Caracteristiques electriques

    Energy Technology Data Exchange (ETDEWEB)

    Anton, A. [Institut National Superieur de Chimie Industrielle, 76 - Rouen (France)

    2003-08-01

    The aim of this article is to allow a preselection of a solid insulating material using the most common electrical characteristics: tangent of the loss angle, relative permittivity, dielectric rigidity, superficial resistivity, transverse resistivity, resistance to high voltage creeping spark currents, index of creeping resistance. The characteristics of the main solid insulating materials are presented in tables for: thermoplastics, thermosetting materials, natural insulating materials, mineral insulating materials, rubber and synthetic elastomers, stratified insulating materials, thermoplastic films, composite synthetic papers. A comparison is made between the different materials using the three properties: tangent of the loss angle, relative permittivity and resistance to HV spark creeping currents. (J.S.)

  12. Energetic Materials Laboratory

    Science.gov (United States)

    2015-04-30

    reactions with mechanically alloyed Al·Mg powder, Combustion and Flame, (04 2015): 1498. doi: 10.1016/j.combustflame.2014.11.019 Marco A. Machado, Daniel A...Received Paper 5.00 6.00 7.00 8.00 Sergio E. Guerrero, Marco A. Machado, Daniel A. Rodriguez, Edward L. Dreizin, Evgeny Shafirovich. Chemical Gas...Equivalent: Total Number: ...... ...... Sub Contractors (DD882) Names of Personnel receiving masters degrees Names of personnel receiving PHDs Names of other

  13. Polymorphism in Energetic Materials

    Science.gov (United States)

    2008-01-01

    salicylic acid ) was first prepared by Charles Frederic Gerhardt in 1853, a second polymorph of this drug was not discovered until 2005. Studies have...the crystallization conditions post- synthesis were not recorded, reproducing the condi- tions resulting in the analyzed sample was not possible. All

  14. Effect of Electric Discharge Machining on Material Removal Rate and White Layer Composition

    Directory of Open Access Journals (Sweden)

    SHAHID MEHMOOD

    2017-01-01

    Full Text Available In this study the MRR (Material Removal Rate of the aerospace grade (2024 T6 aluminum alloy 2024 T6 has been determined with copper electrode and kerosene oil is used as dielectric liquid. Discharge energy is controlled by electric current while keeping Pulse-ON time and Pulse-OFF time as constant. The characteristics of the EDMed (Electric Discharge Machined surface are discussed. The sub-surface defect due to arcing has been explained. As the surface material of tool electrode and workpiece melts simultaneously and there are chances of the contamination of both surfaces by the contents of each other. Therefore, the EDS (Energy Dispersive Spectroscopy of the white layer and base material of the workpiece was performed by SEM (Scanning Electron Microscope at the discharge currents of 3, 6 and 12 amperes. It was conformed that the contamination of the surface of the workpiece material occurred by carbon, copper and oxygen contents. The quantitative analysis of these contents with respect to the discharge current has been presented in this paper.

  15. Effect of tool material on machinability of TiCp reinforced Al-1100 composite

    Science.gov (United States)

    Harishchandra; Kadadevaramath, R. S.; Anil, K. C.

    2016-09-01

    In present days MMC's are widely used in most of the industries, like automobiles, aerospace, minerals and marine industries, because of its high specific strength to weight ratio. There are many types of reinforcements are available, selection of reinforcement is depends on availability, cost and desired reinforcement properties. In our study Al-1100 is selected as a primary material and Titanium carbide particle (TiCp) of 44 pm size as reinforcement and synthesized by manual stir casting method, by varying the reinforcement percentage. K2DF6 salt was used as wetting agent in order to improve the wetting behaviour of the reinforcement and same was observed in optical micrographs. Further, prepared composite materials are subjected to machinability studies by using lathe tool dynamometer in order to evaluate the cutting force, surface roughness with respect to reinforcement percentage and tool material. From the results, it is observed that the hardness and surface roughness of a specimen increases with the increasing of reinforcement percentage and Hardness of the tool material respectively.

  16. New Trends in Research of Energetic Materials (5th Seminar) Held in Pardubice, Czech Republic on 24-25 Apr 2002

    Science.gov (United States)

    2002-04-01

    of April 2003 in the Aula Magna of our University. Pardubice, March 30’b, 2002 Svatopluk Z e m a n 9 NEW TRENDS IN RESEARCH OF ENERGETIC MATERIALS...perchlorate decomposition. Including a stoichiometric amount of sodium or calcium nitrate in the mixture can solve this problem and then virtually no...spherical geometry, but with the virtual center of initiation located inside the bulk charge. It presents also some peculiarities on the equatorial zone

  17. Comment on the paper "Extensive theoretical studies of a new energetic material: tetrazino-tetrazine-tetraoxide (TTTO)" by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang.

    Science.gov (United States)

    Jorgensen, Kameron R; Wilson, Angela K

    2012-09-15

    Discrepancies are noted in the implementation and presentation of the ccCA methodology in a previous publication, "Extensive Theoretical Studies of a New Energetic Material: Tetrazino-tetrazine-tetraoxide (TTTO)" by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang. The enthalpy of formation for TTTO has been re-evaluated using the correct implementation of the ccCA methodology, demonstrating the results to be comparable to those of other ab initio composite methods. Copyright © 2012 Wiley Periodicals, Inc.

  18. Investigation of the Effects of Machining Parameters on Material Removal Rate in Abrasive Waterjet Turning

    Directory of Open Access Journals (Sweden)

    Iman Zohourkari

    2014-05-01

    Full Text Available The effects of the main operational machining parameters on the material removal rate (MRR in abrasive waterjet turning (AWJT are presented in this paper using a statistical approach. The five most common machining parameters such as water pressure, abrasive mass flow rate, cutting head traverse speed, workpiece rotational speed, and depth of cut have been put into a five-level central composite rotatable experimental design (CCRD. The main effects of parameters and the interaction among them were analyzed by means of the analysis of variance (ANOVA and the response surfaces for MRR were obtained fitting a second-order polynomial function. It has been found that depth of cut and cutting head traverse speed are the most influential parameters, whereas the rotational speed is insignificant. In addition, the investigations show that interactions between traverse speed and pressure, abrasive mass flow rate and depth of cut, and pressure and depth of cut are significant on MRR. This result advances the AWJT state of the art. A complete model discussion has been reported drawing interesting considerations on the AWJT process characterising phenomena, where parameters interactions play a fundamental role.

  19. Energetic and exploitation characteristics of a two-phase ejecting vacuum system built in the paper machine at A.D. Komuna Skopje

    Directory of Open Access Journals (Sweden)

    Šarevski Milan

    2004-01-01

    Full Text Available This work presents the concept of a two-phase ejecting vacuum system. The energetic characteristics of these systems were analyzed and compared to those with mechanical pumps with water ring and turbo compressor vacuum pumps. A method for optimizing a two-phase thermo compressor vacuum systems is presented. The analysis included the exploitation characteristics of the system developed at A.D. "Komuna" Skopje.

  20. Compatibility study of trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadecalin (TNAD) with some energetic components and inert materials.

    Science.gov (United States)

    Yan, Qi-Long; Xiao-Jiang, Li; La-Ying, Zhang; Ji-Zhen, Li; Hong-Li, Li; Zi-Ru, Liu

    2008-12-30

    The compatibility of trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadecalin (TNAD) with some energetic components and inert materials of solid propellants was studied by using the pressure DSC method where, cyclotetramethylenetetranitroamine (HMX), cyclotrimethylenetrinitramine (RDX), 1,4-dinitropiperazine (DNP), 1.25/1-NC/NG mixture, lead 3-nitro-1,2,4-triazol-5-onate (NTO-Pb), aluminum powder (Al, particle size=13.6microm) and N-nitrodihydroxyethylaminedinitrate (DINA) were used as energetic components and polyethylene glycol (PEG), polyoxytetramethylene-co-oxyethylene (PET), addition product of hexamethylene diisocyanate and water (N-100), 2-nitrodianiline (2-NDPA), 1,3-dimethyl-1,3-diphenyl urea (C2), carbon black (C.B.), aluminum oxide (Al2O3), cupric 2,4-dihydroxy-benzoate (beta-Cu), cupric adipate (AD-Cu) and lead phthalate (phi-Pb) were used as inert materials. It was concluded that the binary systems of TNAD with NTO-Pb, RDX, PET and Al powder are compatible, and systems of TNAD with DINA and HMX are slightly sensitive, and with 2-NDPA, phi-Pb, beta-Cu, AD-Cu and Al2O3 are sensitive, and with PEG, N-100, C2 and C.B. are incompatible. The impact and friction sensitivity data of the TNAD and TNAD in combination with the other energetic materials under present study was also obtained, and there was no consequential affiliation between sensitivity and compatibility.

  1. Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties

    Science.gov (United States)

    Gaultois, Michael W.; Oliynyk, Anton O.; Mar, Arthur; Sparks, Taylor D.; Mulholland, Gregory J.; Meredig, Bryce

    2016-05-01

    The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT) offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al., Phys. Rev. X 4, 011019 (2014)], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine (http://thermoelectrics.citrination.com) for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE12Co5Bi (RE = Gd, Er), which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT; we selected RE12Co5Bi for this study due to its interesting chemical composition and known facile synthesis.

  2. Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties

    Directory of Open Access Journals (Sweden)

    Michael W. Gaultois

    2016-05-01

    Full Text Available The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al., Phys. Rev. X 4, 011019 (2014], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine (http://thermoelectrics.citrination.com for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE12Co5Bi (RE = Gd, Er, which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT; we selected RE12Co5Bi for this study due to its interesting chemical composition and known facile synthesis.

  3. Utilization of new materials in peat machines; Uusien materiaalien kaeyttoe turvekoneissa

    Energy Technology Data Exchange (ETDEWEB)

    Kallio, M.; Poeyhoenen, P.

    1996-12-31

    The objective of this three year research (1993-1995) was to study the suitability of new materials for different applications in peat production industry, exploiting the plastic and brush technologies, and surface coatings. The peat production machines will be intensified, lightened, made more firesafe, and ergonomical by using new materials (plastics, composites, metals and surface coatings). The research targets and materials were surveyed, the possibilities to construct an unsparkling miller were investigated, and low-friction materials, on which the peat glides easily, were sought in the beginning of the research. The unsparkling miller was studied and developed further in 1994 using platic plates, the application of brushing technology in sod peat technology, and a ridger, equipped with horizontal brushes, for sod peat were studied, and the possibilities to lighten the construction of the collector-wagon using light materials was investigated. The tasks for 1995 were to study the brushing technology for peat production, the properties of the bristle, and the applications of new materials for milling and sewing of peat using laboratory tests. The brush-ridger tests were made in cooperation with the brush experts of the NIITP. A rotating brush harrower mixed and ruffled the milled layer. The brush-harrower seemed to be more effective than the spoon-harrower with the driving speed higher than 8 km/h. The power consumption of the brush varied in between 1.5 - 4 kW/m, when the rotation speed was 200-300 1/min, the milled layer load 44 mm and the deformation of the bristles 20 mm

  4. Nonadiabatic reaction of energetic molecules.

    Science.gov (United States)

    Bhattacharya, Atanu; Guo, Yuanqing; Bernstein, Elliot R

    2010-12-21

    Energetic materials store a large amount of chemical energy that can be readily converted into mechanical energy via decomposition. A number of different ignition processes such as sparks, shocks, heat, or arcs can initiate the excited electronic state decomposition of energetic materials. Experiments have demonstrated the essential role of excited electronic state decomposition in the energy conversion process. A full understanding of the mechanisms for the decomposition of energetic materials from excited electronic states will require the investigation and analysis of the specific topography of the excited electronic potential energy surfaces (PESs) of these molecules. The crossing of multidimensional electronic PESs creates a funnel-like topography, known as conical intersections (CIs). CIs are well established as a controlling factor in the excited electronic state decomposition of polyatomic molecules. This Account summarizes our current understanding of the nonadiabatic unimolecular chemistry of energetic materials through CIs and presents the essential role of CIs in the determination of decomposition pathways of these energetic systems. Because of the involvement of more than one PES, a decomposition process involving CIs is an electronically nonadiabatic mechanism. Based on our experimental observations and theoretical calculations, we find that a nonadiabatic reaction through CIs dominates the initial decomposition process of energetic materials from excited electronic states. Although the nonadiabatic behavior of some polyatomic molecules has been well studied, the role of nonadiabatic reactions in the excited electronic state decomposition of energetic molecules has not been well investigated. We use both nanosecond energy-resolved and femtosecond time-resolved spectroscopic techniques to determine the decomposition mechanism and dynamics of energetic species experimentally. Subsequently, we employ multiconfigurational methodologies (such as, CASSCF

  5. Influence of the material removal mechanisms on hole integrity in ultrasonic machining of structural ceramics.

    Science.gov (United States)

    Nath, Chandra; Lim, G C; Zheng, H Y

    2012-07-01

    Micro-chipping via micro-cracks, due to rapid mechanical indentations by abrasive grits, is the fundamental mechanism of material removal during ultrasonic machining (USM) of hard-brittle materials like ceramics and glass. This study aims mainly to investigate the adverse effects of this inherent removal phenomena on the hole integrity such as entrance chipping, wall roughness and subsurface damage. It also presents the material removal mechanism happens in the gap between the tool periphery and the hole wall (called 'lateral gap'). To do so, experiments were conducted for drilling holes on three advanced structural ceramics, namely, silicon carbide, zirconia, and alumina. Earlier published basic studies on the initiation of different crack modes and their growth characteristics are employed to explain the experimental findings in this USM study. It is realized that the radial and the lateral cracks formed due to adjacent abrasives, which are under the tool face, extends towards radial direction of the hole resulting in entrance chipping. Additionally, the angle penetration and the rolling actions of the abrasives, which are at the periphery of the tool, contribute to the entrance chipping. Later on, in the 'lateral gap', the sliding (or abrasion) and the rolling mechanisms by the larger abrasives take part to material removal. However, they unfavorably produce micro-cracks in the radial direction resulting in surface and subsurface damages, which are ultimately responsible for higher wall-surface roughness. Since the size of micro-cracks in brittle materials is grit size dependent according to the earlier studied physics, it is realized that such nature of the hole integrity during USM can only be minimized by employing smaller grit size, but cannot fully be eliminated.

  6. Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES): Part 2: transferability of ReaxFF models to C-H-N-O energetic materials.

    Science.gov (United States)

    Rice, Betsy M; Larentzos, James P; Byrd, Edward F C; Weingarten, N Scott

    2015-02-10

    The Multiple Objective Evolutionary Strategies (MOES) algorithm was used to parametrize force fields having the form of the reactive models ReaxFF (van Duin, A. C. T.; Dasgupta, S.; Lorant, F.; Goddard, W. A. J. Phys. Chem. A 2001, 105, 9396) and ReaxFF-lg (Liu, L.; Liu, Y.; Zybin, S. V.; Sun, H.; Goddard, W. A. J. Phys. Chem. A 2011, 115, 11016) in an attempt to produce equal or superior ambient state crystallographic structural results for cyclotrimethylene trinitramine (RDX). Promising candidates were then subjected to molecular dynamics simulations of five other well-known conventional energetic materials to assess the degree of transferability of the models. Two models generated through the MOES search were shown to have performance better than or as good as ReaxFF-lg in describing the six energetic systems modeled. This study shows that MOES is an effective and efficient method to develop complex force fields.

  7. Heat release mechanism of energetics

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, N. [Third Research Center, Technical Research and development Institute (Japan)

    1996-12-31

    Determination of the heat release mechanism of energetic materials is a major subject of combustion study. In order to elucidate the combustion process of various types of energetic materials a generalized combustion wave structure was proposed and the heat release process was discussed. The heat release process was significantly different between the physical structures of the materials: homogeneous and heterogeneous materials. The thermal structure of an azide polymer was evaluated to demonstrate the heat release mechanism. (author) 6 refs.

  8. 3,3'-Dinitroamino-4,4'-azoxyfurazan and its derivatives: an assembly of diverse N-O building blocks for high-performance energetic materials.

    Science.gov (United States)

    Zhang, Jiaheng; Shreeve, Jean'ne M

    2014-03-19

    On the basis of a design strategy that results in the assembly of diverse N-O building blocks leading to energetic materials, 3,3'-dinitroamino-4,4'-azoxyfurazan and its nitrogen-rich salts were obtained and fully characterized via spectral and elemental analyses. Oxone (potassium peroxomonosulfate) is an efficient oxidizing agent for introducing the azoxy N-oxide functionality into the furazan backbone, giving a straightforward and low-cost synthetic route. On the basis of heats of formation calculated with Gaussian 03 and combined with experimentally determined densities, energetic properties (detonation velocity, pressure and specific impulse) were obtained using the EXPLO v6.01 program. These new molecules exhibit high density, moderate to good thermal stability, acceptable impact and friction sensitivities, and excellent detonation properties, which suggest potential applications as energetic materials. Interestingly, 3,3'-dinitroamino-4,4'-azoxyfurazan (4) has the highest calculated crystal density of 2.02 g cm(-3) at 173 K (gas pycnometer measured density is 1.96 g cm(-3) at 298 K) for N-oxide energetic compounds yet reported. Another promising compound is the hydroxylammonium salt (6), which has four different kinds of N-O moieties and a detonation performance superior to those of 1,3,5,7-tetranitrotetraazacyclooctane (HMX), and 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclododecane (CL-20). Furthermore, computational results, viz., NBO charges and ESP, also support the superior qualities of the newly prepared compounds and the design strategy.

  9. 从生物质到火炸药:含能材料的生物合成%From Biomass to Explosives:Biosynthesis of Energetic Materials

    Institute of Scientific and Technical Information of China (English)

    咸漠; 曹玉锦

    2015-01-01

    The traditional chemical preparation processes of energetic materials have many drawbacks:insufficient supply of raw materials,severe environmental pollutions,diverse by-products and poor manufacturing safety.Bio-synthesis can overcome the disadvantages of traditional chemical routes,which is required by the development of this field.This review summarized recent advances in biological production of energetic materials and their precursors, with special emphasis on the biosynthetic pathway of polyols and aromatic compounds and the current production levels.The bio-nitrification technology was discussed and the future trends of bio-based energetic materials were also put forward,with 49 references.%传统的化学法制备含能材料普遍存在原料供给不足、环境污染严重、副产物多、过程安全性差的问题。生物合成技术能够克服传统化学合成技术所存在的缺点,是含能材料制备领域技术变革的共性迫切需求。本文综述了生物法制备含能材料及其前驱体的最新进展,重点介绍了多元醇类和芳香族类含能材料前驱体的合成路线及目前的技术水平,探讨了生物硝化技术的现状,对未来生物法制备含能材料的发展方向进行了展望。附参考文献49篇。

  10. Characteristics of damaged layer in micro-machining of copper material

    Institute of Scientific and Technical Information of China (English)

    Dong-Hee KWON; Jeong-Suk KIM; Myung-Chang KANG; Se-Hun KWON; Jong-Hwan LEE

    2009-01-01

    The study on damaged layer is necessary for improving the machinability in micro-machining because the damaged layer affects the micro mold life and micro machine parts. This study examined the ultra-precision micro-machining characteristics, such as cutting speed, feed rate and cutting depth, of a micro-damaged layer produced by an ultra-high speed air turbine spindle. The micro cutting force, surface roughness and plastic deformation layer were investigated according to the machining conditions. The damaged layer was measured using optical microscope on samples prepared through metallographic techniques. The scale of the damaged layer depends on the cutting process parameters, particularly, the feed per tooth and axial depth of the cut. According to the experimental results, the depth of the damaged layer is increased by increasing the feed per tooth and cutting depth, also the damaged layer occurs less in down-milling compared with up-milling during the micro-machining operation.

  11. HIGH PERFORMANCE TAPS FOR CUTTING THREADS IN DIFFICULT TO MACHINE MATERIALS

    Directory of Open Access Journals (Sweden)

    M. R. Akhmedova

    2016-01-01

    Full Text Available Objectives. This article explores in detail questions of instrument operation function of tapping internal threads in hard materials. The existing relationship between vibration system amplitude and tool durability is indicated; on this basis, it is determined that the best course for improving the durability performance is increasing vibratory resistance. Based on a critical analysis of existing designs with consideration of their flaws, the development of new technological designs of taps is tasked with ensuring stable operation when handling hard materials. Methods. It is noteworthy that one of the main vibration resistance improvement methods of the tool is to reduce the contact area of the tool with the work piece in the cutting zone. Methods are proposed for improving the vibration resistance of taps, considering the correlation adjustment of tap teeth in order to completely eliminate friction at the sides of the thread cutting surface and uneven implementation flute cutting steps. Results. The idea of increasing vibration resistance has seen the new development of vibration-proof tap designs, heralded as innovations due to the accuracy of thread cutting and durability achieved by reducing the thread contact area with the work piece in the cutting zone. Increased vibration resistance is achieved in the modified taps through high correction by means of thread side downgrading of the coarse tap cone by an additional angle of 30º. In another design, the stylus provided with uneven angular spacing. Test results of designed taps machined in corrosion-resistant 1Kh18N9T steel. A manifold increase in tool durability was achieved due to its high vibration resistance. Conclusions. The redesigned taps have a number of advantages, characterised by a high resistance when processing difficult materials and an insignificant increase in the complexity of their manufacture compared with standard taps. Therefore they can be recommended for large

  12. Numerical Modeling and Experimental Validation by Calorimetric Detection of Energetic Materials Using Thermal Bimorph Microcantilever Array: A Case Study on Sensing Vapors of Volatile Organic Compounds (VOCs).

    Science.gov (United States)

    Kang, Seok-Won; Fragala, Joe; Banerjee, Debjyoti

    2015-08-31

    Bi-layer (Au-Si₃N₄) microcantilevers fabricated in an array were used to detect vapors of energetic materials such as explosives under ambient conditions. The changes in the bending response of each thermal bimorph (i.e., microcantilever) with changes in actuation currents were experimentally monitored by measuring the angle of the reflected ray from a laser source used to illuminate the gold nanocoating on the surface of silicon nitride microcantilevers in the absence and presence of a designated combustible species. Experiments were performed to determine the signature response of this nano-calorimeter platform for each explosive material considered for this study. Numerical modeling was performed to predict the bending response of the microcantilevers for various explosive materials, species concentrations, and actuation currents. The experimental validation of the numerical predictions demonstrated that in the presence of different explosive or combustible materials, the microcantilevers exhibited unique trends in their bending responses with increasing values of the actuation current.

  13. Machine learning to analyze images of shocked materials for precise and accurate measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dresselhaus-Cooper, Leora; Howard, Marylesa; Hock, Margaret C.; Meehan, B. T.; Ramos, Kyle J.; Bolme, Cindy A.; Sandberg, Richard L.; Nelson, Keith A.

    2017-09-14

    A supervised machine learning algorithm, called locally adaptive discriminant analysis (LADA), has been developed to locate boundaries between identifiable image features that have varying intensities. LADA is an adaptation of image segmentation, which includes techniques that find the positions of image features (classes) using statistical intensity distributions for each class in the image. In order to place a pixel in the proper class, LADA considers the intensity at that pixel and the distribution of intensities in local (nearby) pixels. This paper presents the use of LADA to provide, with statistical uncertainties, the positions and shapes of features within ultrafast images of shock waves. We demonstrate the ability to locate image features including crystals, density changes associated with shock waves, and material jetting caused by shock waves. This algorithm can analyze images that exhibit a wide range of physical phenomena because it does not rely on comparison to a model. LADA enables analysis of images from shock physics with statistical rigor independent of underlying models or simulations.

  14. Modelling effect of magnetic field on material removal in dry electrical discharge machining

    Science.gov (United States)

    Abhishek, Gupta; Suhas, S. Joshi

    2017-02-01

    One of the reasons for increased material removal rate in magnetic field assisted dry electrical discharge machining (EDM) is confinement of plasma due to Lorentz forces. This paper presents a mathematical model to evaluate the effect of external magnetic field on crater depth and diameter in single- and multiple-discharge EDM process. The model incorporates three main effects of the magnetic field, which include plasma confinement, mean free path reduction and pulsating magnetic field effects. Upon the application of an external magnetic field, Lorentz forces that are developed across the plasma column confine the plasma column. Also, the magnetic field reduces the mean free path of electrons due to an increase in the plasma pressure and cycloidal path taken by the electrons between the electrodes. As the mean free path of electrons reduces, more ionization occurs in plasma column and eventually an increase in the current density at the inter-electrode gap occurs. The model results for crater depth and its diameter in single discharge dry EDM process show an error of 9%-10% over the respective experimental values.

  15. Comparative study on discharge conditions in micro-hole electrical discharge machining of tungsten carbide (WC-Co) material

    Institute of Scientific and Technical Information of China (English)

    Hyun-Seok TAK; Chang-Seung HA; Dong-Hyun KIM; Ho-Jun LEE; Hae-June LEE; Myung-Chang KANG

    2009-01-01

    WC-Co is used widely in die and mold industries due to its unique combination of hardness, strength and wear-resistance. For machining difficult-to-cut materials, such as tungsten carbide, micro-electrical discharge machining(EDM) is one of the most effective methods for making holes because the hardness is not a dominant parameter in EDM. This paper describes the characteristics of the discharge conditions for micro-hole EDM of tungsten carbide with a WC grain size of 0.5μm and Co content of 12%. The EDM process was conducted by varying the condenser and resistance values. A R-C discharge EDM device using arc erosion for micro-hole machining was suggested. Furthermore, the characteristics of the developed micro-EDM were analyzed in terms of the electro-optical observation using an oscilloscope and field emission scanning electron microscope.

  16. Alternative blade materials for technical and ecological optimization of a hydraulic pressure machine

    Science.gov (United States)

    Schwyzer, Olivier; Saenger, Nicole

    2016-11-01

    The Hydraulic Pressure Machine (HPM) is an energy converter to exploit head differences between 0.5 and 2.5 m in small streams and irrigation canals. Previous investigations show that efficiencies above 60% are possible. Several case studies indicate good continuity for aquatic life (e.g. fish) and bed load for the technology. The technology is described as an economically and ecologically viable option for small scale hydropower generation. Primary goal of this research is to improve the HPM blade design regarding its continuity properties by maintaining good efficiency rates. This is done by modifying the blade tip and testing within a large physical model under laboratory condition. Blade tips from steel (conventional - reference case) and a combination of EPDM rubber and steel as sandwich construction (rubber, steel, rubber - adhesive layered) are tested and compared. Both materials reach similar values for hydraulic efficiency (approx. 58%) and mechanical power output (approx. 220 W). The variation of different gap sizes pointed out the importance of small clearance gaps to reach high efficiencies. For assessing the two blade tip materials regarding continuity for aquatic life, fish dummies were led through the wheel. Analysis of slow motion video of dummies hit by the blade show significant advantages for the EPDM blade tip. The EPDM rubber allows to bend and thus reduces the shock and the probability for cuts on the fish dummy. It was shown that blade tips from EPDM have certain advantages regarding continuity compared to standard blade tips from steel. No compromise regarding energy production had to be made. These results from the HPM can be transferred to breast shot water wheel and may be applied for new and retrofitting projects.

  17. Machining accuracy of crowns by CAD/CAM system using TCP/IP: influence of restorative material and scanning condition.

    Science.gov (United States)

    Tomita, Sachiko; Shin-ya, Akiyoshi; Gomi, Harunori; Shin-ya, Akikazu; Yokoyama, Daiichiro

    2007-07-01

    The purpose of this study was to determine the optimal condition for fabricating accurate crowns efficiently using an internet-based CAD/CAM system. The influences of three different CAD/CAM restorative materials (titanium, porcelain, and composite resin) and three different step-over scanning distances (0.01 mm, 0.11 mm, and 0.21 mm) were evaluated, and their interactive effects were carefully examined. Several points on the inner and outer surfaces of machined crowns - as well as height - were measured. These measurements were then compared with the original models, from which machining accuracy was obtained. At all measuring points, the inner surface of all crowns was machined larger than the die model, whereas the cervical area of porcelain crown was machined smaller than the crown model. Results of this study revealed that a step-over distance of 0.11 mm was an optimal scanning condition, taking into consideration the interactive effects of scanning time required, data volume, and machining accuracy.

  18. Electric machine

    Science.gov (United States)

    El-Refaie, Ayman Mohamed Fawzi [Niskayuna, NY; Reddy, Patel Bhageerath [Madison, WI

    2012-07-17

    An interior permanent magnet electric machine is disclosed. The interior permanent magnet electric machine comprises a rotor comprising a plurality of radially placed magnets each having a proximal end and a distal end, wherein each magnet comprises a plurality of magnetic segments and at least one magnetic segment towards the distal end comprises a high resistivity magnetic material.

  19. Time resolved long-wave infrared laser-induced breakdown spectroscopy of inorganic energetic materials by a rapid mercury-cadmium-telluride linear array detection system.

    Science.gov (United States)

    Yang, Clayton S-C; Jin, Feng; Trivedi, Sudhir; Brown, Eiei; Hommerich, Uwe; Khurgin, Jacob B; Samuels, Alan C

    2016-11-10

    A mercury-cadmium-telluride linear array detection system that is capable of rapidly capturing (∼1-5 s) a broad spectrum of atomic and molecular laser-induced breakdown spectroscopy (LIBS) emissions in the long-wave infrared region (LWIR, ∼5.6-10 μm) was recently developed. Similar to the conventional ultraviolet-visible LIBS, a broadband emission spectrum of condensed phase samples covering a 5.6-10 μm spectral region could be acquired from just a single laser-induced micro-plasma. Intense and distinct atomic and molecular LWIR emission signatures of various solid inorganic energetic materials were readily observed and identified. Time resolved emissions of inorganic energetic materials were studied to assess the lifetimes of LWIR atomic and molecular emissions. The LWIR atomic emissions generally decayed fast on the scale of tens of microseconds, while the molecular signature emissions from target molecules excited by the laser-induced plasma appeared to be very long lived (∼millisecond). The time dependence of emission intensities and peak wavelengths of these signature emissions gave an insight into the origin and the environment of the emitting target species. Moreover, observed lifetimes of these LWIR emissions can be utilized for further optimization of the signal quality and detection limits of this technique.

  20. Progress in development of coated indexable cemented carbide inserts for machining of iron based work piece materials

    Science.gov (United States)

    Czettl, C.; Pohler, M.

    2016-03-01

    Increasing demands on material properties of iron based work piece materials, e.g. for the turbine industry, complicate the machining process and reduce the lifetime of the cutting tools. Therefore, improved tool solutions, adapted to the requirements of the desired application have to be developed. Especially, the interplay of macro- and micro geometry, substrate material, coating and post treatment processes is crucial for the durability of modern high performance tool solutions. Improved and novel analytical methods allow a detailed understanding of material properties responsible for the wear behaviour of the tools. Those support the knowledge based development of tailored cutting materials for selected applications. One important factor for such a solution is the proper choice of coating material, which can be synthesized by physical or chemical vapor deposition techniques. Within this work an overview of state-of-the-art coated carbide grades is presented and application examples are shown to demonstrate their high efficiency. Machining processes for a material range from cast iron, low carbon steels to high alloyed steels are covered.

  1. An Approach to the Use of ICT in Machine Sewing Classes Effect of Video Materials in the Elementary School Teacher Training Faculty

    OpenAIRE

    川端, 博子; 祖父江, 仁成; 高橋, 美登梨; 亀崎, 美苗

    2017-01-01

    University students in training faculty for elementary school teaching took lessons in machine sewing using ICT. After learning the basic use of sewing machines, the students sewed small bags referring to the handouts and video materials installed on Tablet PCs. The effects of learning machine sewing, the use of ICT and the points of attention in teaching were considered using the results of the pre and post questionnaires and the evaluation on the small bags sewn. The results are as follows;...

  2. Stab Sensitivity of Energetic Nanolaminates

    Energy Technology Data Exchange (ETDEWEB)

    Gash, A; Barbee, T; Cervantes, O

    2006-05-22

    This work details the stab ignition, small-scale safety, and energy release characteristics of bimetallic Al/Ni(V) and Al/Monel energetic nanolaminate freestanding thin films. The influence of the engineered nanostructural features of the energetic multilayers is correlated with both stab initiation and small-scale energetic materials testing results. Structural parameters of the energetic thin films found to be important include the bi-layer period, total thickness of the film, and presence or absence of aluminum coating layers. In general the most sensitive nanolaminates were those that were relatively thick, possessed fine bi-layer periods, and were not coated. Energetic nanolaminates were tested for their stab sensitivity as freestanding continuous parts and as coarse powders. The stab sensitivity of mock M55 detonators loaded with energetic nanolaminate was found to depend strongly upon both the particle size of the material and the configuration of nanolaminate material, in the detonator cup. In these instances stab ignition was observed with input energies as low as 5 mJ for a coarse powder with an average particle dimension of 400 {micro}m. Selected experiments indicate that the reacting nanolaminate can be used to ignite other energetic materials such as sol-gel nanostructured thermite, and conventional thermite that was either coated onto the multilayer substrate or pressed on it. These results demonstrate that energetic nanolaminates can be tuned to have precise and controlled ignition thresholds and can initiate other energetic materials and therefore are viable candidates as lead-free impact initiated igniters or detonators.

  3. Initial mechanisms for the decomposition of electronically excited energetic materials: 1,5'-BT, 5,5'-BT, and AzTT.

    Science.gov (United States)

    Yuan, Bing; Yu, Zijun; Bernstein, Elliot R

    2015-03-28

    Decomposition of nitrogen-rich energetic materials 1,5'-BT, 5,5'-BT, and AzTT (1,5'-Bistetrazole, 5,5'-Bistetrazole, and 5-(5-azido-(1 or 4)H-1,2,4-triazol-3-yl)tetrazole, respectively), following electronic state excitation, is investigated both experimentally and theoretically. The N2 molecule is observed as an initial decomposition product from the three materials, subsequent to UV excitation, with a cold rotational temperature (materials are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersections play an essential role in the decomposition mechanism. Electronically excited S1 molecules can non-adiabatically relax to their ground electronic states through (S1/S0)CI conical intersections. 1,5'-BT and 5,5'-BT materials have several (S1/S0)CI conical intersections between S1 and S0 states, related to different tetrazole ring opening positions, all of which lead to N2 product formation. The N2 product for AzTT is formed primarily by N-N bond rupture of the -N3 group. The observed rotational energy distributions for the N2 products are consistent with the final structures of the respective transition states for each molecule on its S0 potential energy surface. The theoretically derived vibrational temperature of the N2 product is high, which is similar to that found for energetic salts and molecules studied previously.

  4. The Interstellar Boundary Explorer (IBEX): Tracing the Interaction between the Heliosphere and Surrounding Interstellar Material with Energetic Neutral Atoms

    CERN Document Server

    Frisch, Priscilla C

    2010-01-01

    The Interstellar Boundary Explorer (IBEX) mission is exploring the frontiers of the heliosphere where energetic neutral atoms (ENAs) are formed from charge exchange between interstellar neutral hydrogen atoms and solar wind ions and pickup ions. The geography of this frontier is dominated by an unexpected nearly complete arc of ENA emission, now known as the IBEX 'Ribbon'. While there is no consensus agreement on the Ribbon formation mechanism, it seems certain this feature is seen for sightlines that are perpendicular to the interstellar magnetic field as it drapes over the heliosphere. At the lowest energies, IBEX also measures the flow of interstellar H, He, and O atoms through the inner heliosphere. The asymmetric helium profile suggests that a secondary flow of helium is present, such as would be expected if some fraction of helium is lost through charge exchange in the heliosheath regions. The detailed spectra characterized by the ENAs provide time-tagged samples of the energy distributions of the under...

  5. Unimolecular decomposition of tetrazine-N-oxide based high nitrogen content energetic materials from excited electronic states

    Science.gov (United States)

    Bhattacharya, A.; Guo, Y. Q.; Bernstein, E. R.

    2009-11-01

    Unimolecular excited electronic state decomposition of novel high nitrogen content energetic molecules, such as 3,3'-azobis(6-amino-1,2,4,5-tetrazine)-mixed N-oxides (DAATO3.5), 3-amino-6-chloro-1,2,4,5-tetrazine-2,4-dioxide (ACTO), and 3,6-diamino-1,2,4,5-tetrazine-1,4-dioxde (DATO), is investigated. Although these molecules are based on N-oxides of a tetrazine aromatic heterocyclic ring, their decomposition behavior distinctly differs from that of bare tetrazine, in which N2 and HCN are produced as decomposition products through a concerted dissociation mechanism. NO is observed to be an initial decomposition product from all tetrazine-N-oxide based molecules from their low lying excited electronic states. The NO product from DAATO3.5 and ACTO is rotationally cold (20 K) and vibrationally hot (1200 K), while the NO product from DATO is rotationally hot (50 K) and vibrationally cold [only the (0-0) vibronic transition of NO is observed]. DAATO3.5 and ACTO primarily differ from DATO with regard to molecular structure, by the relative position of oxygen atom attachment to the tetrazine ring. Therefore, the relative position of oxygen in tetrazine-N-oxides is proposed to play an important role in their energetic behavior. N2O is ruled out as an intermediate precursor of the NO product observed from all three molecules. Theoretical calculations at CASMP2/CASSCF level of theory predict a ring contraction mechanism for generation of the initial NO product from these molecules. The ring contraction occurs through an (S1/S0)CI conical intersection.

  6. Application of support vector machine in the prediction of mechanical property of steel materials

    Institute of Scientific and Technical Information of China (English)

    Ling Wang; Zhichun Mu; Hui Guo

    2006-01-01

    The investigation of the influences of important parameters including steel chemical composition and hot rolling parameters on the mechanical properties of steel is a key for the systems that are used to predict mechanical properties. To improve the prediction accuracy, support vector machine was used to predict the mechanical properties of hot-rolled plain carbon steel Q235B. Support vector machine is a novel machine learning method, which is a powerful tool used to solve the problem characterized by small sample, nonlinearity, and high dimension with a good generalization performance. On the basis of the data collected from the supervisor of hotrolling process, the support vector regression algorithm was used to build prediction models, and the off-line simulation indicates that predicted and measured results are in good agreement.

  7. Machining of composite materials. I - Traditional methods. II - Non-traditional methods

    Science.gov (United States)

    Abrate, S.; Walton, D. A.

    Traditional and nontraditional methods for machining organic-matrix and metal-matrix composites are reviewed. Such traditional procedures as drilling, cutting, sawing, routing, and grinding are discussed together with the damage introduced into composites by these manipulations. Particular attention is given to new, nontraditional methods, including laser, water-jet, electrodischarge, electrochemical spark, and ultrasonic machining methods showing that, these methods often speed up cutting and improve the surface quality. Moreover, it is sometimes possible to use new methods in cases where traditional methods are ineffective.

  8. UX Design Innovation: Challenges for Working with Machine Learning as a Design Material

    DEFF Research Database (Denmark)

    Dove, Graham; Halskov, Kim; Forlizzi, Jodi

    2017-01-01

    Machine learning (ML) is now a fairly established technology, and user experience (UX) designers appear regularly to integrate ML services in new apps, devices, and systems. Interestingly, this technology has not experienced a wealth of design innovation that other technologies have, and this might...

  9. Some molecular/crystalline factors that affect the sensitivities of energetic materials: molecular surface electrostatic potentials, lattice free space and maximum heat of detonation per unit volume.

    Science.gov (United States)

    Politzer, Peter; Murray, Jane S

    2015-02-01

    We discuss three molecular/crystalline properties that we believe to be among the factors that influence the impact/shock sensitivities of energetic materials (i.e., their vulnerabilities to unintended detonation due to impact or shock). These properties are (a) the anomalously strong positive electrostatic potentials in the central regions of their molecular surfaces, (b) the free space per molecule in their crystal lattices, and (c) their maximum heats of detonation per unit volume. Overall, sensitivity tends to become greater as these properties increase; however these are general trends, not correlations. Nitramines are exceptions in that their sensitivities show little or no variation with free space in the lattice and heat of detonation per unit volume. We outline some of the events involved in detonation initiation and show how the three properties are related to different ones of these events.

  10. Numerical Modeling and Experimental Validation by Calorimetric Detection of Energetic Materials Using Thermal Bimorph Microcantilever Array: A Case Study on Sensing Vapors of Volatile Organic Compounds (VOCs)

    Science.gov (United States)

    Kang, Seok-Won; Fragala, Joe; Banerjee, Debjyoti

    2015-01-01

    Bi-layer (Au-Si3N4) microcantilevers fabricated in an array were used to detect vapors of energetic materials such as explosives under ambient conditions. The changes in the bending response of each thermal bimorph (i.e., microcantilever) with changes in actuation currents were experimentally monitored by measuring the angle of the reflected ray from a laser source used to illuminate the gold nanocoating on the surface of silicon nitride microcantilevers in the absence and presence of a designated combustible species. Experiments were performed to determine the signature response of this nano-calorimeter platform for each explosive material considered for this study. Numerical modeling was performed to predict the bending response of the microcantilevers for various explosive materials, species concentrations, and actuation currents. The experimental validation of the numerical predictions demonstrated that in the presence of different explosive or combustible materials, the microcantilevers exhibited unique trends in their bending responses with increasing values of the actuation current. PMID:26334276

  11. Numerical Modeling and Experimental Validation by Calorimetric Detection of Energetic Materials Using Thermal Bimorph Microcantilever Array: A Case Study on Sensing Vapors of Volatile Organic Compounds (VOCs

    Directory of Open Access Journals (Sweden)

    Seok-Won Kang

    2015-08-01

    Full Text Available Bi-layer (Au-Si3N4 microcantilevers fabricated in an array were used to detect vapors of energetic materials such as explosives under ambient conditions. The changes in the bending response of each thermal bimorph (i.e., microcantilever with changes in actuation currents were experimentally monitored by measuring the angle of the reflected ray from a laser source used to illuminate the gold nanocoating on the surface of silicon nitride microcantilevers in the absence and presence of a designated combustible species. Experiments were performed to determine the signature response of this nano-calorimeter platform for each explosive material considered for this study. Numerical modeling was performed to predict the bending response of the microcantilevers for various explosive materials, species concentrations, and actuation currents. The experimental validation of the numerical predictions demonstrated that in the presence of different explosive or combustible materials, the microcantilevers exhibited unique trends in their bending responses with increasing values of the actuation current.

  12. Bioaccumulation of chemical warfare agents, energetic materials, and metals in deep-sea shrimp from discarded military munitions sites off Pearl Harbor

    Science.gov (United States)

    Koide, Shelby; Silva, Jeff A. K.; Dupra, Vilma; Edwards, Margo

    2016-06-01

    The bioaccumulation of munitions-related chemicals at former military deep-water disposal sites is poorly understood. This paper presents the results of human-food-item biota sampling to assess the potential for bioaccumulation of chemical warfare agents, energetic materials, arsenic, and additional munitions-related metals in deep-sea shrimp tissue samples collected during the Hawai'i Undersea Military Munitions Assessment (HUMMA) project to date. The HUMMA investigation area is located within a former munitions sea-disposal site located south of Pearl Harbor on the island of O'ahu, Hawai'i, designated site Hawaii-05 (HI-05) by the United States Department of Defense. Indigenous deep-sea shrimp (Heterocarpus ensifer) were caught adjacent to discarded military munitions (DMM) and at control sites where munitions were absent. Tissue analysis results showed that chemical warfare agents and their degradation products were not present within the edible portions of these samples at detectable concentrations, and energetic materials and their degradation products were detected in only a few samples at concentrations below the laboratory reporting limits. Likewise, arsenic, copper, and lead concentrations were below the United States Food and Drug Administration's permitted concentrations of metals in marine biota tissue (if defined), and their presence within these samples could not be attributed to the presence of DMM within the study area based on a comparative analysis of munitions-adjacent and control samples collected. Based on this current dataset, it can be concluded that DMM existing within the HUMMA study area is not contributing to the bioaccumulation of munitions-related chemicals for the biota species investigated to date.

  13. ReaxFF-lg: correction of the ReaxFF reactive force field for London dispersion, with applications to the equations of state for energetic materials.

    Science.gov (United States)

    Liu, Lianchi; Liu, Yi; Zybin, Sergey V; Sun, Huai; Goddard, William A

    2011-10-13

    The practical levels of density functional theory (DFT) for solids (LDA, PBE, PW91, B3LYP) are well-known not to account adequately for the London dispersion (van der Waals attraction) so important in molecular solids, leading to equilibrium volumes for molecular crystals ~10-15% too high. The ReaxFF reactive force field is based on fitting such DFT calculations and suffers from the same problem. In the paper we extend ReaxFF by adding a London dispersion term with a form such that it has low gradients (lg) at valence distances leaving the already optimized valence interactions intact but behaves as 1/R(6) for large distances. We derive here these lg corrections to ReaxFF based on the experimental crystal structure data for graphite, polyethylene (PE), carbon dioxide, and nitrogen and for energetic materials: hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX), pentaerythritol tetranitrate (PETN), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), and nitromethane (NM). After this dispersion correction the average error of predicted equilibrium volumes decreases from 18.5 to 4.2% for the above systems. We find that the calculated crystal structures and equation of state with ReaxFF-lg are in good agreement with experimental results. In particular, we examined the phase transition between α-RDX and γ-RDX, finding that ReaxFF-lg leads to excellent agreement for both the pressure and volume of this transition occurring at ~4.8 GPa and ~2.18 g/cm(3) density from ReaxFF-lg vs 3.9 GPa and ~2.21 g/cm(3) from experiment. We expect ReaxFF-lg to improve the descriptions of the phase diagrams for other energetic materials.

  14. Quantifying nonhomogeneous colors in agricultural materials. Part II: comparison of machine vision and sensory panel evaluations.

    Science.gov (United States)

    Balaban, M O; Aparicio, J; Zotarelli, M; Sims, C

    2008-11-01

    The average colors of mangos and apples were measured using machine vision. A method to quantify the perception of nonhomogeneous colors by sensory panelists was developed. Three colors out of several reference colors and their perceived percentage of the total sample area were selected by untrained panelists. Differences between the average colors perceived by panelists and those from the machine vision were reported as DeltaE values (color difference error). Effects of nonhomogeneity of color, and using real samples or their images in the sensory panels on DeltaE were evaluated. In general, samples with more nonuniform colors had higher DeltaE values, suggesting that panelists had more difficulty in evaluating more nonhomogeneous colors. There was no significant difference in DeltaE values between the real fruits and their screen image, therefore images can be used to evaluate color instead of the real samples.

  15. Femtosecond laser ablation properties of transparent materials: impact of the laser process parameters on the machining throughput

    Science.gov (United States)

    Matylitsky, V. V.; Hendricks, F.; Aus der Au, J.

    2013-03-01

    High average power, high repetition rate femtosecond lasers with μJ pulse energies are increasingly used for bio-medical and material processing applications. With the introduction of femtosecond laser systems such as the SpiritTM platform developed by High Q Lasers and Spectra-Physics, micro-processing of solid targets with femtosecond laser pulses have obtained new perspectives for industrial applications [1]. The unique advantage of material processing with subpicosecond lasers is efficient, fast and localized energy deposition, which leads to high ablation efficiency and accuracy in nearly all kinds of solid materials. The study on the impact of the laser processing parameters on the removal rate for transparent substrate using femtosecond laser pulses will be presented. In particular, examples of micro-processing of poly-L-lactic acid (PLLA) - bio-degradable polyester and XensationTM glass (Schott) machined with SpiritTM ultrafast laser will be shown.

  16. 1,2,3-Triazolo[4,5,-e]furazano[3,4,-b]pyrazine 6-oxide--a fused heterocycle with a roving hydrogen forms a new class of insensitive energetic materials.

    Science.gov (United States)

    Thottempudi, Venugopal; Yin, Ping; Zhang, Jiaheng; Parrish, Damon A; Shreeve, Jean'ne M

    2014-01-01

    The straightforward synthesis and energetic properties of a new class of energetic materials, 1,2,3-triazolo- [4,5-e]furazano[3,4-b]pyrazine 6-oxide and its energetic salts are described. They were characterized by IR and multinuclear NMR spectroscopy, elemental analysis, differential scanning calorimetry, and single-crystal X-ray diffraction are given. The X-ray structures show that in the title compound, the hydrogen atom is bonded to the nitrogen in the pyrazine ring; however, in the salts, the negative charge is associated with the triazole nitrogen. Heats of formation for all compounds were calculated with the G2 method and then combined with experimentally determined densities to obtain detonation pressures (P) and velocities (D) by using EXPLO5 program. These new materials exhibit good densities and thermal stabilities, high heats of formation, acceptable detonation properties, and are insensitive to impact.

  17. A fast hybrid methodology based on machine learning, quantum methods, and experimental measurements for evaluating material properties

    Science.gov (United States)

    Kong, Chang Sun; Haverty, Michael; Simka, Harsono; Shankar, Sadasivan; Rajan, Krishna

    2017-09-01

    We present a hybrid approach based on both machine learning and targeted ab-initio calculations to determine adhesion energies between dissimilar materials. The goals of this approach are to complement experimental and/or all ab-initio computational efforts, to identify promising materials rapidly and identify in a quantitative manner the relative contributions of the different material attributes affecting adhesion. Applications of the methodology to predict bulk modulus, yield strength, adhesion and wetting properties of copper (Cu) with other materials including metals, nitrides and oxides is discussed in this paper. In the machine learning component of this methodology, the parameters that were chosen can be roughly divided into four types: atomic and crystalline parameters (which are related to specific elements such as electronegativities, electron densities in Wigner-Seitz cells); bulk material properties (e.g. melting point), mechanical properties (e.g. modulus) and those representing atomic characteristics in ab-initio formalisms (e.g. pseudopotentials). The atomic parameters are defined over one dataset to determine property correlation with published experimental data. We then develop a semi-empirical model across multiple datasets to predict adhesion in material interfaces outside the original datasets. Since adhesion is between two materials, we appropriately use parameters which indicate differences between the elements that comprise the materials. These semi-empirical predictions agree reasonably with the trend in chemical work of adhesion predicted using ab-initio techniques and are used for fast materials screening. For the screened candidates, the ab-initio modeling component provides fundamental understanding of the chemical interactions at the interface, and explains the wetting thermodynamics of thin Cu layers on various substrates. Comparison against ultra-high vacuum (UHV) experiments for well-characterized Cu/Ta and Cu/α-Al2O3 interfaces is

  18. Water decontamination via the removal of Pb (II) using a new generation of highly energetic surface nano-material: Co(+2)Mo(+6) LDH.

    Science.gov (United States)

    Mostafa, Mohsen S; Bakr, Al-Sayed A; El Naggar, Ahmed M A; Sultan, El-Sayed A

    2016-01-01

    CoMo(CO3(2-)) layered double hydroxide of a highly energetic surface, as a new LDH consisting of divalent and hexavalent cations (M(+2)/M(+6)-LDH), was prepared by a homogeneous co-precipitation method. The structure and morphology of the prepared material was confirmed by several analytical techniques namely; X-ray diffraction analysis (XRD), X-ray fluorescence (XRF), Fourier transform infra-red (FT-IR) spectroscopy, differential scanning calorimetry and thermal gravimetric analysis (DSC-TGA), N2 adsorption-desorption isotherm and scanning electron microscope (SEM). The highly energetic surface of the prepared LDH was demonstrated via the X-ray photoelectron spectroscopy (XPS). The surface energy is due to the formation of +4 surface charges in the brucite layer between Co(+2) and Mo(+6). The prepared LDH was applied as a novel adsorbent for the removal of Pb (II) from its aqueous solution at different experimental conditions of time, temperature and initial Pb (II) concentrations. The change of the Pb (II) concentrations; due to adsorption, was monitored by atomic absorption spectrophotometer (AAS). The maximum uptake of Pb (II) by the Co Mo LDH was (73.4 mg/g) at 298 K. The Pb (II) adsorption was found to follow Langmuir isotherm and pseudo second order model. The adsorption process was spontaneous and endothermic. The interference of other cations on the removal of the Pb (II) was studied. Na(+) and K(+) were found to increase the adsorption capacity of the Co Mo LDH toward Pb (II) while it was slightly decreased by the presence of Mn(+2) and Cu(+2). The synthesized LDH showed a great degree of recoverability (7 times) while completely conserving its parental morphology and adsorption capacity. The mechanism of the lead ions removal had exhibited more reliability through a surface adsorption by the coordination between the Mo(+6) of the brucite layers and the oxygen atoms of the nitrates counter ions.

  19. Distribution Characteristics of Wear Particles from Material of Machine Elements in Lubricant condition

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Yon Sang; Jun, Sung Jae; Kim, Young Hee; Park, Heung Sik [Donga Univ., Busan (Korea, Republic of)

    2007-07-01

    It necessarily follows that wear particles are generated through a friction and wear in a mechanical moving system. The wear particles are relative to the failure and the life of machine elements directly. To analyze the wear particle, its shape characteristics were calculated quantitative values such as diameter, roundness and fractal parameters by digital image processing. In this study, the histograms of shape parameters of wear particles were used for the purpose of analyzing the distribution of wear particles in various conditions. We consider that the histogram of shape parameter can be effectively represented to study a wear mechanism.

  20. 绝热加速量热仪表征含能材料热感度的探讨%Thermal Sensitivity of Energetic Materials Characterized by Accelerating Rate Calorimeter(ARC)

    Institute of Scientific and Technical Information of China (English)

    刘颖; 杨茜; 陈利平; 何中其; 陆燕; 陈网桦

    2011-01-01

    对现有的固体含能材料热感度表征方法进行了简述,并针对现有表征方法无法适用于液态含能材料热感度测试的局限性,提出了采用绝热加速量热仪( ARC)表征含能材料热感度的方法.用ARC测试了4种固体含能材料太安(PETN)、黑索今(RDX)、奥克托今(HMX)、梯恩梯(TNT)以及2种液态含能材料硝基乙烷(NE)、硝酸异辛酯(EHN)的绝热分解过程,根据所得热动力学数据计算得出了这些被测试样不同爆炸延滞期对应的爆发点.就4种固体含能材料而言,ARC测试得到的热感度排序为PETN >RDX >HMX >TNT,此结果与传统的伍德合金浴法的测试结论一致,认为ARC可以应用于固体及液态含能材料的热感度测试.6种被测试样的热感度排序为EHN>PETN >RDX>HMX>TNT>NE.%Traditional test methods for thermal sensitivity of solid energetic materials were summarized. Aiming at the limitation of the fact that these methods cannot be applied to liquid energetic materials, a method using Accelerating Rate Calorimeter (ARC) to test thermal sensitivity of energetic materials was put forward. The decompositions of four solid explosives Pentaerythritol tetranitrate ( PETN ), Hexogen (RDX), Octogen (HMX), 2,4,6-Trinitrotoluene (TNT) and two liquid energetic materials Nitroethane (NE), 2-Ethylhexyl nitrate (EHN) were studied by ARC. Kinetic and thermodynamics parameters were calculated and analyzed. Temperature corresponding different time to maximum rate under adiabatic condition (0) was calculated. Thermal sensitivity of four solid energetic materials is PETN > RDX >HMX >TNT, which is consistent with the conclusion obtained by the traditional Wood's alloy bath method, therefore ARC can be employed to the test of the thermal sensitivity of both solid and liquid energetic material. The thermal sensitivity order of six energetic materials from high to low is EHN >PETN >RDX >HMX >TNT>NE.

  1. 含能材料物理化学性能理论预估研究进展%Research Progress in Theoretical Prediction of Physicochemical Properties for Energetic Materials

    Institute of Scientific and Technical Information of China (English)

    严启龙; 宋振伟; 安亭; 张晓宏; 赵凤起

    2016-01-01

    从含能材料领域的最近发展成果出发,讨论了该领域的主要研究方向,重点论述了当前含能材料物理化学性能理论预估的最新成果,主要包括量子化学、分子动力学或者半经验QSPR建模的方法预估含能材料的感度、燃烧爆轰性能、反应活性、固化机制与力学性能的研究进展.总结了目前存在的主要技术壁垒,包括缺乏完备统一的含能材料性能标准实验数据库,没有自主知识产权的商业化含能材料性能计算软件,且国际上商业软件对含能材料的物理化学性能的可靠预测仅局限于爆轰性能和燃烧性能.文献调研表明,我国需要进一步加强该领域研究,最终建立一个能评价含能材料性能与安全的综合软件平台.附参考文献90篇.%Starting from the related achievements of recent development in the field of energetic materials, the main research direction in this field was discussed, and the latest achievements of theoretical prediction of the physicochemical properties of energetic materials were described in particular, mainly including quantum chemistry, molecular dynamics or semi empirical QSPR modeling approaches to predict the research progress in sensitivity, combustion and detonation performances, reaction activity, curing mechanism and mechanical properties of energetic materials.The main technical barriers existed at present were summarized, including the lack of complete and unified standard experimental database on performances of energetic materials, no commercial software with independent intellectual property rights to calculate the energetic material properties, and international commercial software with reliable predictors of physical and chemical properties of energetic materials is limited to the detonation performance and combustion performance. Literature research shows that China needs to further strengthen the research in this field, and finally build a comprehensive software

  2. Synthesis and Characterization of 2,2'-Dinitramino-5,5'-bi(1-oxa-3,4-diazole) and Derivatives as Economic and Highly Dense Energetic Materials.

    Science.gov (United States)

    Hermann, Tobias S; Karaghiosoff, Konstantin; Klapötke, Thomas M; Stierstorfer, Jörg

    2017-09-07

    2,2'-Dinitramino-5,5'-bi(1-oxa-3,4-diazole) (2) is a new highly energetic material with superior calculated detonation performance in comparison to cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and penta-erythritoltetranitrate (PETN) and can be prepared by an economical and practical two-step synthesis. The starting material 2,2'-diamino-5,5'-bi(1-oxa-3,4-diazole) (1) is synthesized by the reaction of oxalyl dihydrazide with cyanogen bromide. Nitration of 1 yields the title compound in perfect yield and purity. The combination of its high density of 1.986 g cm(-3) , the positive heat of formation (+190 kJ mol(-1) ), and a slightly positive oxygen balance (+6.2 %) results in ideal calculated detonation parameters (e.g. detonation velocity 9296 m s(-1) ). The sensitivities toward impact and friction can be adjusted by deprotonation and formation of corresponding nitrogen-rich salts, for example, ammonium (3), hydroxylammonium (4), and guanidinium (5) salts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Note: Nanomechanical characterization of soft materials using a micro-machined nanoforce transducer with an FIB-made pyramidal tip.

    Science.gov (United States)

    Li, Z; Gao, S; Brand, U; Hiller, K; Wollschläger, N; Pohlenz, F

    2017-03-01

    The quantitative nanomechanical characterization of soft materials using the nanoindentation tech-nique requires further improvements in the performances of instruments, including their force resolution in particular. A micro-machined silicon nanoforce transducer based upon electrostatic comb drives featuring the force and depth resolutions down to ∼1 nN and 0.2 nm, respectively, is described. At the end of the MEMS transducer's main shaft, a pyramidal tip is fabricated using a focused ion beam facility. A proof-of-principle setup with this MEMS nanoindenter has been established to measure the mechanical properties of soft polydimethylsiloxane. First measurement results demonstrate that the prototype measurement system is able to quantitatively characterize soft materials with elastic moduli down to a few MPa.

  4. Actuator design for vibration assisted machining of high performance materials with ultrasonically modulated cutting speed

    Science.gov (United States)

    Rinck, Philipp M.; Sitzberger, Sebastian; Zaeh, Michael F.

    2017-06-01

    In vibration assisted machining, an additional high-frequency oscillation is superimposed on the kinematics of the conventional machining process. This generates oscillations on the cutting edge in the range of a few micrometers, thereby causing a high-frequency change in the cutting speed or the feed. Consequently, a reduction of cutting forces, an increase of the tool life as well as an improvement of the workpiece quality can be achieved. In milling and grinding it has been shown that these effects are already partially present in the case of a vibration excitation in axial direction relative to the workpiece, which is perpendicular to the cutting direction. Further improvements of the process results can be achieved by superimposing a vibration in cutting direction and thus modifying the cutting speed at high frequency. The presented work shows the design of an ultrasonic actuator that enables vibration-assisted milling and grinding with ultrasonically modulated cutting speed. The actuator system superimposes a longitudinal torsional ultrasonic oscillation to the milling or grinding tool. It uses a bolt clamped Langevin transducer and a helically slotted horn, which degenerates the longitudinal vibration into a combined longitudinal torsional (L-T) vibration at the output surface. A finite element analysis is used to determine the vibration resonance frequency and mode shapes to maximize the torsional output. Afterwards, the simulation has been experimentally validated.

  5. Radiation Engineering Analysis of Shielding Materials to Assess Their Ability to Protect Astronauts in Deep Space From Energetic Particle Radiation

    Science.gov (United States)

    Singleterry, R. C.

    2013-01-01

    An analysis is performed on four typical materials (aluminum, liquid hydrogen, polyethylene, and water) to assess their impact on the length of time an astronaut can stay in deep space and not exceed a design basis radiation exposure of 150 mSv. A large number of heavy lift launches of pure shielding mass are needed to enable long duration, deep space missions to keep astronauts at or below the exposure value with shielding provided by the vehicle. Therefore, vehicle mass using the assumptions in the paper cannot be the sole shielding mechanism for long duration, deep space missions. As an example, to enable the Mars Design Reference Mission 5.0 with a 400 day transit to and from Mars, not including the 500 day stay on the surface, a minimum of 24 heavy lift launches of polyethylene at 89,375 lbm (40.54 tonnes) each are needed for the 1977 galactic cosmic ray environment. With the assumptions used in this paper, a single heavy lift launch of water or polyethylene can protect astronauts for a 130 day mission before exceeding the exposure value. Liquid hydrogen can only protect the astronauts for 160 days. Even a single launch of pure shielding material cannot protect an astronaut in deep space for more than 180 days using the assumptions adopted in the analysis. It is shown that liquid hydrogen is not the best shielding material for the same mass as polyethylene for missions that last longer than 225 days.

  6. Radiation Engineering Analysis of Shielding Materials to Assess Their Ability to Protect Astronauts in Deep Space From Energetic Particle Radiation

    Science.gov (United States)

    Singleterry, R. C.

    2013-01-01

    An analysis is performed on four typical materials (aluminum, liquid hydrogen, polyethylene, and water) to assess their impact on the length of time an astronaut can stay in deep space and not exceed a design basis radiation exposure of 150 mSv. A large number of heavy lift launches of pure shielding mass are needed to enable long duration, deep space missions to keep astronauts at or below the exposure value with shielding provided by the vehicle. Therefore, vehicle mass using the assumptions in the paper cannot be the sole shielding mechanism for long duration, deep space missions. As an example, to enable the Mars Design Reference Mission 5.0 with a 400 day transit to and from Mars, not including the 500 day stay on the surface, a minimum of 24 heavy lift launches of polyethylene at 89,375 lbm (40.54 tonnes) each are needed for the 1977 galactic cosmic ray environment. With the assumptions used in this paper, a single heavy lift launch of water or polyethylene can protect astronauts for a 130 day mission before exceeding the exposure value. Liquid hydrogen can only protect the astronauts for 160 days. Even a single launch of pure shielding material cannot protect an astronaut in deep space for more than 180 days using the assumptions adopted in the analysis. It is shown that liquid hydrogen is not the best shielding material for the same mass as polyethylene for missions that last longer than 225 days.

  7. Experimental and Statistical Study on Machinability of the Composite Materials with Metal Matrix Al/B4C/Graphite

    Science.gov (United States)

    Nas, Engin; Gökkaya, Hasan

    2017-10-01

    In this study, four types of Al/B4C/Graphite metal matrix composites (MMCs) were produced by means of a hot-pressing technique with reinforcement elements, B4C 8 wt pct and graphite (nickel coated) 0, 3, 5, and 7 wt pct. Machinability tests of MMC materials thus produced were conducted using four different cutting speeds (100, 140, 180, and 220 m/min), three different feed rates (0.1, 0.15, and 0.20 mm/rev), and a fixed cutting depth (0.5 mm), and the effects of the cutting parameters on the average surface roughness were examined. After the machinability tests, the height of the built-up edge (BUE) formed on the cutting tools related to the cutting speed and feed rate was measured. The test results were examined by designing a matrix according to the full factorial design and the average surface roughness, and the most important factors leading to formation of the BUE were analyzed by the analysis of variance (ANOVA). As a result of analysis, it was found that the lowest surface roughness value was with 7 wt pct graphite MMC material, while the highest was without graphite powder. Based on the statistical analysis results, it was observed that the most important factor affecting average surface roughness was the type of MMC material, the second most effective factor was the feed rate, and the least effective factor was the cutting speed. Furthermore, it was found that the most important factor affecting the formation of the BUE was the type of MMC material, the second most effective factor was the cutting speed, and the least effective factor was the feed rate.

  8. Bis[3-(5-nitroimino-1,2,4-triazolate)]-based energetic salts: synthesis and promising properties of a new family of high-density insensitive materials.

    Science.gov (United States)

    Wang, Ruihu; Xu, Hongyan; Guo, Yong; Sa, Rongjian; Shreeve, Jean'ne M

    2010-09-01

    Bis[3-(5-nitroimino-1,2,4-triazolate)]-based energetic salts were synthesized in a simple, straightforward manner. They exhibit low solubility in available solvents, high hydrolytic stability, excellent thermal stability, high density, positive heat of formation, low shock sensitivity, and excellent detonation properties. The physical and energetic properties of some salts are similar and even superior to those of RDX.

  9. 1,3-Bis(nitroimido)-1,2,3-triazolate anion, the N-nitroimide moiety, and the strategy of alternating positive and negative charges in the design of energetic materials.

    Science.gov (United States)

    Klapötke, Thomas M; Petermayer, Christian; Piercey, Davin G; Stierstorfer, Jörg

    2012-12-26

    This unique study reports on the 1,3-bis(nitroimido)-1,2,3-triazolate anion. This compound provides unique insight into both academic and practical considerations surrounding high-nitrogen systems. The bonding in this energetic anion can be represented multiple ways, one of which includes a chain of alternating positive/negative charges nine atoms long. The validity of this resonance structure is discussed in terms of experimental, computational, and valence bond results. The prepared materials based on this energetic anion were also characterized chemically (infrared, Raman, NMR, X-ray) and as high explosives in terms of their energetic performances (detonation velocity, pressure, etc.) and sensitivities (impact, friction, electrostatic), and the 1,3-bis(nitroimido)-1,2,3-triazolate anion is found to be very high performing with high thermal stabilities while being quite sensitive to mechanical stimuli.

  10. Innovative techniques for the production of energetic radicals for lunar materials processing including photogeneration via concentrated solar energy

    Science.gov (United States)

    Osborn, D. E.; Lynch, D. C.; Fozzolari, R.

    1991-01-01

    A technique for photo generation of radicals is discussed that can be used in the recovery of oxygen and metals from extraterrestrial resources. The concept behind this work was to examine methods whereby radicals can be generated and used in the processing of refractory materials. In that regard, the focus is on the use of sunlight. Sunlight provides useful energy for processing in the forms of both thermal and quantum energy. A number of experiments were conducted in the chlorination of metals with and without the aid of UV and near UV light. The results of some of those experiments are discussed.

  11. Energetic particle instabilities in fusion plasmas

    CERN Document Server

    Sharapov, S E; Berk, H L; Borba, D N; Breizman, B N; Challis, C D; Classen, I G J; Edlund, E M; Eriksson, J; Fasoli, A; Fredrickson, E D; Fu, G Y; Garcia-Munoz, M; Gassner, T; Ghantous, K; Goloborodko, V; Gorelenkov, N N; Gryaznevich, M P; Hacquin, S; Heidbrink, W W; Hellesen, C; Kiptily, V G; Kramer, G J; Lauber, P; Lilley, M K; Lisak, M; Nabais, F; Nazikian, R; Nyqvist, R; Osakabe, M; von Thun, C Perez; Pinches, S D; Podesta, M; Porkolab, M; Shinohara, K; Schoepf, K; Todo, Y; Toi, K; Van Zeeland, M A; Voitsekhovich, I; White, R B; Yavorskij, V; TG, ITPA EP; Contributors, JET-EFDA

    2013-01-01

    Remarkable progress has been made in diagnosing energetic particle instabilities on present-day machines and in establishing a theoretical framework for describing them. This overview describes the much improved diagnostics of Alfven instabilities and modelling tools developed world-wide, and discusses progress in interpreting the observed phenomena. A multi-machine comparison is presented giving information on the performance of both diagnostics and modelling tools for different plasma conditions outlining expectations for ITER based on our present knowledge.

  12. Long Baseline Neutrino Experiment Target Material Radiation Damage Studies Using Energetic Protons of the Brookhaven Linear Isotope Production (BLIP) Facility

    CERN Document Server

    Simos, N; Hurh, P; Mokhov, N; Kotsina, Z

    2014-01-01

    One of the future multi-MW accelerators is the LBNE Experiment where Fermilab aims to produce a beam of neutrinos with a 2.3 MW proton beam as part of a suite of experiments associated with Project X. Specifically, the LBNE Neutrino Beam Facility aims for a 2+ MW, 60 -120 GeV pulsed, high intensity proton beam produced in the Project X accelerator intercepted by a low Z solid target to facilitate the production of low energy neutrinos. The multi-MW level LBNE proton beam will be characterized by intensities of the order of 1.6 e+14 p/pulse, {\\sigma} radius of 1.5 -3.5 mm and a 9.8 microsecond pulse length. These parameters are expected to push many target materials to their limit thus making the target design very challenging. To address a host of critical design issues revealed by recent high intensity beam on target experience a series of experimental studies on radiation damage and thermal shock response conducted at BNL focusing on low-Z materials have been undertaken with the latest one focusing on LBNE.

  13. Dimerization of merocyanine dyes. Structural and energetic characterization of dipolar dye aggregates and implications for nonlinear optical materials.

    Science.gov (United States)

    Würthner, Frank; Yao, Sheng; Debaerdemaeker, Tony; Wortmann, Rüdiger

    2002-08-14

    Aggregation of polar merocyanine dyes has been identified as an important problem in the fabrication of organic materials for photonic applications. In this work, a series of merocyanine dyes is synthesized, and their aggregation is investigated by a combination of several experimental techniques to reveal structure-property relationships. These studies provide clear evidence for the formation of centrosymmetric dimers for all investigated merocyanines in concentrated solution and in the solid state. The thermodynamics of dimerization in liquid solution is studied by concentration-dependent permittivity measurements, UV-vis spectroscopy, and electrooptical absorption experiments. A centrosymmetric dimer structure with antiparallel ordering of the dipole moments is observed in solution by 2D NMR spectroscopy as well as in the solid state by X-ray crystallography and interpreted in terms of dipolar and pi-pi interactions. The optical properties of the dimer aggregates are satisfactorily explained by an excitonic coupling model. The effect of an external electric field on the dimerization equilibrium is considered and quantitatively determined by electrooptical absorption measurements. Implications of the observed findings on the design of nonlinear optical and photorefractive materials are discussed.

  14. Dense energetic nitraminofurazanes.

    Science.gov (United States)

    Fischer, Dennis; Klapötke, Thomas M; Reymann, Marius; Stierstorfer, Jörg

    2014-05-19

    3,3'-Diamino-4,4'-bifurazane (1), 3,3'-diaminoazo-4,4'-furazane (2), and 3,3'-diaminoazoxy-4,4'-furazane (3) were nitrated in 100 % HNO3 to give corresponding 3,3'-dinitramino-4,4'-bifurazane (4), 3,3'-dinitramino-4,4'-azofurazane (5) and 3,3'-dinitramino-4,4'-azoxyfurazane (6), respectively. The neutral compounds show very imposing explosive performance but possess lower thermal stability and higher sensitivity than hexogen (RDX). More than 40 nitrogen-rich compounds and metal salts were prepared. Most compounds were characterized by low-temperature X-ray diffraction, all of them by infrared and Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and by differential scanning calorimetry (DSC). Calculated energetic performances using the EXPLO5 code based on calculated (CBS-4M) heats of formation and X-ray densities support the high energetic performances of the nitraminofurazanes as energetic materials. The sensitivities towards impact, friction, and electrostatic discharge were also explored. Additionally the general toxicity of the anions against vibrio fischeri, representative for an aquatic microorganism, was determined.

  15. Plagiarism of online material may be proven using the Internet Archive Wayback Machine (archive.org).

    Science.gov (United States)

    Pearce, David; Charlton, Bruce G

    2009-12-01

    Many writers and researchers are reluctant to publish online for fear that their work will be plagiarized and used without attribution elsewhere. For example, junior or freelance researchers may worry that their ideas will be 'stolen' and published under the name of professional or senior researchers; and that then it could be hard to convince people that in fact the idea had originated elsewhere. However, if this happens, plagiarism may be objectively proven by a service called the Internet Archive Wayback Machine (archive.org). Archive.org permits clarification of the issue of dates--and allows the reader to draw their own conclusions about authorship, whether charitable or otherwise. In sum, archive.org is a little known, freely available and potentially very useful mechanism for defending intellectual property rights.

  16. A systemic approach to testing the tribological properties of selected materials of agricultural machines

    Directory of Open Access Journals (Sweden)

    Marian Kučera

    2014-03-01

    Full Text Available The contribution brings the evaluation of selected materials regarding wear resistance under conditions of two experiments. The following materials had been chosen for these experiments: steel E295, steel C 45 after heat treatment, steel C 45 after quenching and steel 16MnCr5 after carburizing and quenching. The experiment was performed on a test device belonging to the category of “pin – disk“ test devices. The resistance of selected materials was evaluated regarding energy consumption, and it was compared to sizes of weight loss. It was observed that the material C 45 after heat treatment reached the highest values of wear resistance in conditions of adhesive wear without lubrication. The material 16MnCr5 indicated the best results in conditions of abrasive wear.

  17. Analysis of the application of an interdisciplinar project in education of future engineers: assembly of thermal machines with recycled materials

    Directory of Open Access Journals (Sweden)

    Elaine Cristina Marques

    2015-12-01

    Full Text Available Teaching through the four areas of learning development is increasing in educational systems. The methods used for this purpose are: analysis and solving of problems, and development of integrative or interdisciplinary projects. Both use active learning methodologies, making it possible to circumvent the low capacity for concentration and retention of information from today’s students, so globalized and dependent on computers. In this sense, the development of this project aims for the students to manufacture a steam machine with reused/recycled materials, and to present it during a trial lesson. This project was developed in the Fundamentals of Thermodynamics and Engineering and Materials Science courses, taken in the first semester of 2014, and involved 130 students enrolled in the fifth semester of the Production Engineering course at Centro Universitário Padre Anchieta. A total of 28 steam machines were presented and, after prior modification, the majority succeeded in their functioning. Most of the groups used industrial materials and/or industrial tools in order to accomplish their projects. Due to this experience, they could apply their knowledge in both student and professional routines. Based on that, it is believed that the projects may play a role of meaningful learning for students. At the end of the activity, most students signaled their satisfaction with the project and their desire to repeat such activities, which interconnect disciplines. It is possible to conclude that teaching through interdisciplinary projects is an important tool in the teaching of engineering, thus, understanding of knowledge is more articulate and less fragmented. It contributes to the use of science as an element of interpretation and intervention of reality

  18. Statistical investigations into the erosion of material from the tool in micro-electrical discharge machining

    DEFF Research Database (Denmark)

    Puthumana, Govindan

    2016-01-01

    This paper presents a statistical study of the erosion of material from the tool electrode in a micro-electrical dischargemachining process. The work involves Analysis of Variance and Analysis of Means approaches on the results of the toolelectrode wear rate obtained based on design of experiments...... ) and discharge frequency (f ) control the erosion of material from the tool electrode. The Material Erosion dfrom the tool electrode increases linearly with the discharge frequency. As the current index increases from 20 to 35,the M decreases linearly, by 29% and then increases by of 36%. The current index of 35...... gives the minimum material eerosion from the tool. It is observed that none of the two-factor interactions are significant in controlling the erosion ofmaterial from the Tool....

  19. 检测纸质绝缘材料x射线机的改进%Test the Improvement of Paper Insulation Material X-ray Machine

    Institute of Scientific and Technical Information of China (English)

    卢国庆; 吴军霞

    2012-01-01

    Summarize the importance of using the X-ray machine to test the paper insulation material, operating principles about X-ray to test the paper insulation material, the existing problems of common medical X-ray machine testing the paper insulation material. Describe the improvement programs to the common medical X-ray machine, compare with the working results of im- proved X-ray machine, put forward the growing trend about the testing paper insulation material X-ray machine.%文章综述了用x射线机检测纸质绝缘材料的必要性、工作原理及普通医用x射线机检测纸质绝缘材料存在的问题。提出了对普通医用x射线机的改进方案,对改进后的x射线机工作效果进行了比较,提出了检测纸质绝缘材料x射线机的发展趋势。

  20. Energetic particle instabilities in fusion plasmas

    NARCIS (Netherlands)

    Sharapov, S. E.; Alper, B.; Berk, H. L.; Borba, D. N.; Breizman, B. N.; Challis, C. D.; Classen, I.G.J.; Edlund, E. M.; Eriksson, J.; Fasoli, A.; Fredrickson, E. D.; Fu, G. Y.; Garcia-Munoz, M.; Gassner, T.; Ghantous, K.; Goloborodko, V.; Gorelenkov, N. N.; Gryaznevich, M. P.; Hacquin, S.; Heidbrink, W. W.; Hellesen, C.; Kiptily, V. G.; Kramer, G. J.; Lauber, P.; Lilley, M. K.; Lisak, M.; Nabais, F.; Nazikian, R.; Nyqvist, R.; Osakabe, M.; C. Perez von Thun,; Pinches, S. D.; Podesta, M.; Porkolab, M.; Shinohara, K.; Schoepf, K.; Todo, Y.; Toi, K.; VanZeeland, M. A.; Voitsekhovich, I.; White, R. B.; Yavorskij, V.; ITPA EP TG Contributors,; JET-EFDA Contributors,

    2013-01-01

    Remarkable progress has been made in diagnosing energetic particle instabilities on present-day machines and in establishing a theoretical framework for describing them. This overview describes the much improved diagnostics of Alfvén instabilities and modelling tools developed world-wide, and discus

  1. A new eye-safe UV Raman spectrometer for the remote detection of energetic materials in fingerprint concentrations: Characterization by PCA and ROC analyzes.

    Science.gov (United States)

    Almaviva, Salvatore; Chirico, Roberto; Nuvoli, Marcello; Palucci, Antonio; Schnürer, Frank; Schweikert, Wenka

    2015-11-01

    We report the results of proximal Raman investigations at a distance of 7 m, to detect traces of explosives (from 0.1 to 0.8 mg/cm(2)) on common clothes with a new eye-safe apparatus. The instrument excites the target with a single laser shot of few ns (10(-9)s) in the UV range (laser wavelength 266 nm) detecting energetic materials like Pentaerythritol tetranitrate (PETN), Trinitrotoluene (TNT), Urea Nitrate (UN) and Ammonium Nitrate (AN). Samples were prepared using a piezoelectric-controlled plotter device to realize well-calibrated amounts of explosives on several cm(2). Common fabrics and tissues such as polyester, polyamide and leather were used as substrates, representative of base-materials used in the production of jackets or coats. Other samples were prepared by touching the substrate with a silicon finger contaminated with explosives, to simulate a spot left by contaminated hands on a jacket or bag during the preparation of an improvised explosive device (IED) by a terrorist. The observed Raman signals showed some peculiar molecular bands of the analyzed compounds, allowing us to identify and discriminate them with high sensitivity and selectivity, also in presence of the interfering signal from the underlying fabric. A dedicated algorithm was developed to remove noise and fluorescence background from the single laser shot spectra and an automatic spectral recognition procedure was also implemented, evaluating the intensity of the characteristic Raman bands of each explosive and allowing their automatic classification. Principal component analysis (PCA) was used to show the discrimination potentialities of the apparatus on different sets of explosives and to highlight possible criticalities in the detection. Receiver operating characteristic (ROC) curves were used to discuss and quantify the sensitivity and the selectivity of the proposed recognition procedure. To our knowledge the developed device is at the highest sensitivity nowadays achievable in the

  2. Experimental Investigation on the Material Removal of the Ultrasonic Vibration Assisted Abrasive Water Jet Machining Ceramics

    Directory of Open Access Journals (Sweden)

    Tao Wang

    2017-01-01

    Full Text Available The ultrasonic vibration activated in the abrasive water jet nozzle is used to enhance the capability of the abrasive water jet machinery. The experiment devices of the ultrasonic vibration assisted abrasive water jet are established; they are composed of the ultrasonic vibration producing device, the abrasive supplying device, the abrasive water jet nozzle, the water jet intensifier pump, and so on. And the effect of process parameters such as the vibration amplitude, the system working pressure, the stand-off, and the abrasive diameter on the ceramics material removal is studied. The experimental result indicates that the depth and the volume removal are increased when the ultrasonic vibration is added on abrasive water jet. With the increase of vibration amplitude, the depth and the volume of material removal are also increased. The other parameters of the ultrasonic vibration assisted abrasive water jet also have an important role in the improvement of ceramic material erosion efficiency.

  3. Determination of the cutting forces regression functions for milling machining of the X105CrMo17 material

    Science.gov (United States)

    Popovici, T. D.; Dijmărescu, M. R.

    2017-08-01

    The aim of the research presented in this paper is to determine a cutting force prediction model for milling machining of the X105CrMo17 stainless steel. The analysed material is a martensitic stainless steel which, due to the high Carbon content (∼1%) and Chromium (∼17%), has high hardness and good corrosion resistance characteristics. This material is used for the steel structures parts which are subject of wear in corrosive environments, for making valve seats, bearings, various types of cutters, high hardness bushings, casting shells and nozzles, measuring instruments, etc. The paper is structured into three main parts in accordance to the considered research program; they are preceded by an introduction and followed by relevant conclusions. In the first part, for a more detailed knowledge of the material characteristics, a quality and quantity micro-analysis X-ray and a spectral analysis were performed. The second part presents the physical experiment in terms of input, necessary means, process and registration of the experimental data. In the third part, the experimental data is analysed and the cutting force model is developed in terms of the cutting regime parameters such as cutting speed, feed rate, axial depth and radial depth.

  4. The Harvard Clean Energy Project: High-throughput screening of organic photovoltaic materials using cheminformatics, machine learning, and pattern recognition

    Science.gov (United States)

    Olivares-Amaya, Roberto; Hachmann, Johannes; Amador-Bedolla, Carlos; Daly, Aidan; Jinich, Adrian; Atahan-Evrenk, Sule; Boixo, Sergio; Aspuru-Guzik, Alán

    2012-02-01

    Organic photovoltaic devices have emerged as competitors to silicon-based solar cells, currently reaching efficiencies of over 9% and offering desirable properties for manufacturing and installation. We study conjugated donor polymers for high-efficiency bulk-heterojunction photovoltaic devices with a molecular library motivated by experimental feasibility. We use quantum mechanics and a distributed computing approach to explore this vast molecular space. We will detail the screening approach starting from the generation of the molecular library, which can be easily extended to other kinds of molecular systems. We will describe the screening method for these materials which ranges from descriptor models, ubiquitous in the drug discovery community, to eventually reaching first principles quantum chemistry methods. We will present results on the statistical analysis, based principally on machine learning, specifically partial least squares and Gaussian processes. Alongside, clustering methods and the use of the hypergeometric distribution reveal moieties important for the donor materials and allow us to quantify structure-property relationships. These efforts enable us to accelerate materials discovery in organic photovoltaics through our collaboration with experimental groups.

  5. Development of temperature statistical model when machining of aerospace alloy materials

    Directory of Open Access Journals (Sweden)

    Kadirgama Kumaran

    2014-01-01

    Full Text Available This paper presents to develop first-order models for predicting the cutting temperature for end-milling operation of Hastelloy C-22HS by using four different coated carbide cutting tools and two different cutting environments. The first-order equations of cutting temperature are developed using the response surface methodology (RSM. The cutting variables are cutting speed, feed rate, and axial depth. The analyses are carried out with the aid of the statistical software package. It can be seen that the model is suitable to predict the longitudinal component of the cutting temperature close to those readings recorded experimentally with a 95% confident level. The results obtained from the predictive models are also compared with results obtained from finite-element analysis (FEA. The developed first-order equations for the cutting temperature revealed that the feed rate is the most crucial factor, followed by axial depth and cutting speed. The PVD coated cutting tools perform better than the CVD-coated cutting tools in terms of cutting temperature. The cutting tools coated with TiAlN perform better compared with other cutting tools during the machining performance of Hastelloy C-22HS. It followed by TiN/TiCN/TiN and CVD coated with TiN/TiCN/Al2O3 and TiN/TiCN/TiN. From the finite-element analysis, the distribution of the cutting temperature can be discussed. High temperature appears in the lower sliding friction zone and at the cutting tip of the cutting tool. Maximum temperature is developed at the rake face some distance away from the tool nose, however, before the chip lift away.

  6. Statistical investigations into the erosion of material from the tool in micro-electrical discharge machining

    DEFF Research Database (Denmark)

    Puthumana, Govindan

    2016-01-01

    This paper presents a statistical study of the erosion of material from the tool electrode in a micro-electrical dischargemachining process. The work involves Analysis of Variance and Analysis of Means approaches on the results of the toolelectrode wear rate obtained based on design of experiment...

  7. Wear Test Results of Candidate Materials for the OK-542 Towed Array Handling Machine Level Winder

    Science.gov (United States)

    1994-12-29

    while extremely resistant to corrosion , is very strong mechanically and is readily available in bar form from local suppliers. Figure 32...Stainless Steel, Inconel 625, Nickel-Aluminum-Bronze, and Titanium. The specialty materials: Inconel 625, Monel, Stainless and Stellite , were clad-welded...C71500 Cu-Ni Wheel/Clad Stainless ............................................ 14 13. Clad Stellite

  8. REFINEMENT AND GRANULATING OF COHERENT-GRANULAR MATERIALS IN MACHINES OF ROLL TYPE

    Directory of Open Access Journals (Sweden)

    E. B. Lozhechnikov

    2006-01-01

    Full Text Available The way of selective break of heterogeneous compositions, in particular slags of copper-smelting production and also granular metal-containing powder materials, is based and developed. Calibration of the rolls, providing contrilled granulating of metal-containing powders by rolling.

  9. DIFFUSION COUPLE BETWEEN HIGH STRENGTH WEAR-RESISTING ALUMINUM BRONZE AND MACHINING TOOLS MATERIALS

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Diffusion couples of tool materials (prepared from commercially available high speed steel and YW1 carbide tools) and the wear-resisting aluminum bronze (KK) were prepared by casting to study the diffusion pattern and phase formation sequence in order to clarify the diffusion wear of the tools during the turning of the wear-resisting aluminum bronze. Optical micrographs show that good contact was obtained at the tool material-KK interface. After annealed at 900 ℃ for 6 h, strong inter-diffusion across the interface was observed. Microprobe analysis was used to study the elemental distribution across the interface and X-ray diffractometry was used to study the phases formed at the interface.

  10. A predictive machine learning approach for microstructure optimization and materials design

    OpenAIRE

    Ruoqian Liu; Abhishek Kumar; Zhengzhang Chen; Ankit Agrawal; Veera Sundararaghavan; Alok Choudhary

    2015-01-01

    This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We present a problem involving design of magnetoelastic Fe-Ga alloy microstructure for enhanced elastic, plastic and magnetostrictive properties. While theoretical models for computing properties given the microstructure are ...

  11. Statistical investigations into the erosion of material from the tool in micro-electrical discharge machining

    DEFF Research Database (Denmark)

    Puthumana, Govindan

    2016-01-01

    This paper presents a statistical study of the erosion of material from the tool electrode in a micro-electrical dischargemachining process. The work involves Analysis of Variance and Analysis of Means approaches on the results of the toolelectrode wear rate obtained based on design of experiment...... gives the minimum material eerosion from the tool. It is observed that none of the two-factor interactions are significant in controlling the erosion ofmaterial from the Tool.......This paper presents a statistical study of the erosion of material from the tool electrode in a micro-electrical dischargemachining process. The work involves Analysis of Variance and Analysis of Means approaches on the results of the toolelectrode wear rate obtained based on design of experiments...... approach. The input factors used in the experiments aredischarge current (I ), discharge frequency (f ) and pulse width (w ). The individual effects as well as interactions pamong the input factors have been considered for the analysis. The results of this investigation show that dischargecurrent (I...

  12. Ultrafast Dynamics of Energetic Materials

    Science.gov (United States)

    2014-01-23

    make tens of thousands of shocks on the same sample. As shown in Fig. 5, the original sample used a monolayer of nitrobenzoic acid ( NBA ). Also...there is a few micrometer thick polymer tamping layer. The NBA molecule is an EM simulant with a nitro group. We are focused on the nitro groups due...in Fig. 5d. We have 13 Fig.5. Sample construction for ultrafast shock vibrational spectroscopy. A monolayer of NBA is deposited onto a metal

  13. Energetic Materials for WMD Defeat

    Science.gov (United States)

    2014-07-01

    in our previous work to have detonation properties, thermal stabilities, densities, enthalpies of formation and impact sensitivities that were very...with nitric acid; and 2) the reaction of potassium methylnitramine and cyanogen bromide to form methylnitrocyanamide. After interaction of...H) 60 (M) 0.095 (M) RDX, class 5 230 dec. 1.82 0.42 35.2 8977 7.4 16 (M) 108 (M) 0.037 (M) 4 a enthalpy of formation [Gaussian

  14. International Conference on Energetic Materials

    Science.gov (United States)

    2007-11-02

    Results of TNT destruction by electrochemical way M.E. Rabanal, M.A. Martinez, Universidad Carlos III de Madrid, Leganes, E A.J. Criado, Universidad ... Complutense de Madrid, Madrid, E N. Braojos, A. Perez de Diego, Laboratorio Quimico Central de Armamento, San Martin de la Vega, E 49. Biochemical treatment

  15. Pursuing reliable thermal analysis techniques for energetic materials: decomposition kinetics and thermal stability of dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50).

    Science.gov (United States)

    Muravyev, Nikita V; Monogarov, Konstantin A; Asachenko, Andrey F; Nechaev, Mikhail S; Ananyev, Ivan V; Fomenkov, Igor V; Kiselev, Vitaly G; Pivkina, Alla N

    2016-12-21

    Thermal decomposition of a novel promising high-performance explosive dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) was studied using a number of thermal analysis techniques (thermogravimetry, differential scanning calorimetry, and accelerating rate calorimetry, ARC). To obtain more comprehensive insight into the kinetics and mechanism of TKX-50 decomposition, a variety of complementary thermoanalytical experiments were performed under various conditions. Non-isothermal and isothermal kinetics were obtained at both atmospheric and low (up to 0.3 Torr) pressures. The gas products of thermolysis were detected in situ using IR spectroscopy, and the structure of solid-state decomposition products was determined by X-ray diffraction and scanning electron microscopy. Diammonium 5,5'-bistetrazole-1,1'-diolate (ABTOX) was directly identified to be the most important intermediate of the decomposition process. The important role of bistetrazole diol (BTO) in the mechanism of TKX-50 decomposition was also rationalized by thermolysis experiments with mixtures of TKX-50 and BTO. Several widely used thermoanalytical data processing techniques (Kissinger, isoconversional, formal kinetic approaches, etc.) were independently benchmarked against the ARC data, which are more germane to the real storage and application conditions of energetic materials. Our study revealed that none of the Arrhenius parameters reported before can properly describe the complex two-stage decomposition process of TKX-50. In contrast, we showed the superior performance of the isoconversional methods combined with isothermal measurements, which yielded the most reliable kinetic parameters of TKX-50 thermolysis. In contrast with the existing reports, the thermal stability of TKX-50 was determined in the ARC experiments to be lower than that of hexogen, but close to that of hexanitrohexaazaisowurtzitane (CL-20).

  16. A data format 'EUMELDAT: European Material, Energetic and Luminous Data' for luminous and radiometric properties of daylighting systems; EUMELDAT ''Ein europaeisches Datenformat fuer strahlungsphysikalische und lichttechnische Kennzahlen von Tageslichtsystemen

    Energy Technology Data Exchange (ETDEWEB)

    Herrmann, B.; Rosemann, A.; Aydinli, S.; Kaase, H. [Technische Univ. Berlin (Germany). Fachgebiet Lichttechnik

    2003-07-01

    This paper describes a data format (EUMELDAT: European Material, Energetic and Luminous Data) for luminous and radiometric properties of daylighting systems for different light incidences and observer directions. The data format is based on a coordinate system whose properties and advantages are discussed in this paper. The technical description of the data format can be found on the web page of the lighting institute (http://ntife.ee.tu-berlin.de/Lichttechnik/Eumeldat.html). (orig.)

  17. A new strategy for storage and transportation of sensitive high-energy materials: guest-dependent energy and sensitivity of 3D metal-organic-framework-based energetic compounds.

    Science.gov (United States)

    Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Gao, Wenjuan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli

    2014-06-23

    Reaction of Co(II) with the nitrogen-rich ligand N,N-bis(1H-tetrazole-5-yl)-amine (H2bta) leads to a mixed-valence, 3D, porous, metal-organic framework (MOF)-based, energetic material with the nitrogen content of 51.78%, [Co9(bta)10(Hbta)2(H2O)10]n⋅(22 H2O)n (1). Compound 1 was thermohydrated to produce a new, stable, energetic material with the nitrogen content of 59.85% and heat of denotation of 4.537 kcal cm(-3), [Co9(bta)10(Hbta)2(H2O)10]n (2). Sensitivity tests show that 2 is more sensitivity to external stimuli than 1, reflecting guest-dependent energy and sensitivity of 3D, MOF-based, energetic materials. Less-sensitive 1 can be regarded as a more safe form for storage and transformation to sensitive 2. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Zeolite synthesis: an energetic perspective.

    Science.gov (United States)

    Zwijnenburg, Martijn A; Bromley, Stefan T

    2010-11-21

    Taking |D(H(2)O)(x)|[AlSiO(4)] based materials (where D is Li, Na, K, Rb or Cs) as an archetypal aluminosilicate system, we use accurate density functional theory calculations to demonstrate how the substitution of silicon cations in silica, with pairs of aluminium and (alkali metal) cations, changes the energetic ordering of different competing structure-types. For large alkali metal cations we further show that the formation of porous aluminosilicate structures, the so-called zeolites, is energetically favored. These findings unequivocally demonstrate that zeolites can be energetic preferred reaction products, rather than being kinetically determined, and that the size of the (hydrated) cations in the pore, be it inorganic or organic, is critical for directing zeolite synthesis.

  19. Choice of material and development of technology to manufacture the working parts of a rotor operating in machine for turning of triangular heaps

    Directory of Open Access Journals (Sweden)

    W. Uhl

    2008-07-01

    Full Text Available The theoretical part of the study discloses the genesis of the research which originated from a possibility of replacing the so far used expensive machine parts with parts cheaper and yet offering similar quality and performance life. A short characteristic of the machine was given where the main operating parts made so far from steel were replaced with parts made from cast iron. The equipment and its main applications were described.In the research part of the study several types of alloys were proposed. Their use is expected to ensure the required performance life of parts combined with price reduction. A short characteristic of the proposed material was given. A technology of making moulds for the said machine parts was developed. Using this technology, the respective moulds were made and poured next with three cast alloys.One of the proposed materials was subjected to four types of the heat treatment, two alloys used as reference materials were left in as-cast state. The castings were fettled and weighed. The hardness of the cast materials was measured.The working (turning parts were delivered for operation to a sewage-treatment plant where, after assembly in a turning machine, the performance tests were conducted.

  20. Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic Cells.

    Science.gov (United States)

    Yosipof, Abraham; Nahum, Oren E; Anderson, Assaf Y; Barad, Hannah-Noa; Zaban, Arie; Senderowitz, Hanoch

    2015-06-01

    Growth in energy demands, coupled with the need for clean energy, are likely to make solar cells an important part of future energy resources. In particular, cells entirely made of metal oxides (MOs) have the potential to provide clean and affordable energy if their power conversion efficiencies are improved. Such improvements require the development of new MOs which could benefit from combining combinatorial material sciences for producing solar cells libraries with data mining tools to direct synthesis efforts. In this work we developed a data mining workflow and applied it to the analysis of two recently reported solar cell libraries based on Titanium and Copper oxides. Our results demonstrate that QSAR models with good prediction statistics for multiple solar cells properties could be developed and that these models highlight important factors affecting these properties in accord with experimental findings. The resulting models are therefore suitable for designing better solar cells.

  1. Environmental assessment for consolidation of certain materials and machines for nuclear criticality experiments and training

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-05-21

    In support of its assigned missions and because of the importance of avoiding nuclear criticality accidents, DOE has adopted a policy to reduce identifiable nuclear criticality safety risks and to protect the public, workers, government property and essential operations from the effects of a criticality accident. In support of this policy, the Los Alamos Critical Experiments Facility (LACEF) at the Los Alamos National Laboratory (LANL) Technical Area (TA) 18, provides a program of general purpose critical experiments. This program, the only remaining one of its kind in the United States, seeks to maintain a sound basis of information for criticality control in those physical situations that DOE will encounter in handling and storing fissionable material in the future, and ensuring the presence of a community of individuals competent in practicing this control.

  2. Non-conventional electrical machines

    CERN Document Server

    Rezzoug, Abderrezak

    2013-01-01

    The developments of electrical machines are due to the convergence of material progress, improved calculation tools, and new feeding sources. Among the many recent machines, the authors have chosen, in this first book, to relate the progress in slow speed machines, high speed machines, and superconducting machines. The first part of the book is dedicated to materials and an overview of magnetism, mechanic, and heat transfer.

  3. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.

    Science.gov (United States)

    Axthammer, Quirin J; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C

    2016-12-21

    The nucleophilic Michael addition of nitroform with acrylamide creates a variety of energetic products. Several interesting compounds with a trinitromethyl group were synthesized, among them salts containing the trinitropropylammonium cation, [(NO2)3CCH2CH2NH3]X. Owing to their positive oxygen balance, the suitability of these compounds as potential high-energy dense oxidizers (HEDOs) in energetic formulations was investigated and discussed. Furthermore, numerous important and reactive compounds for the continuing synthesis of molecules with a high oxygen balance are presented. All compounds were fully characterized, including multinuclear NMR spectroscopy, vibrational analysis (IR, Raman), elemental analysis, as well as single crystal X-ray diffraction. Thermal stabilities were studied using differential scanning calorimetry and sensitivity data against friction, impact and electrostatic discharge were collected. The energies of formation were calculated using Gaussian 09 and energetic properties, such as the specific impulse and detonation velocity, were predicted with the EXPLO5 (V6.02) computer code.

  4. Machining of titanium alloys

    CERN Document Server

    2014-01-01

    This book presents a collection of examples illustrating the resent research advances in the machining of titanium alloys. These materials have excellent strength and fracture toughness as well as low density and good corrosion resistance; however, machinability is still poor due to their low thermal conductivity and high chemical reactivity with cutting tool materials. This book presents solutions to enhance machinability in titanium-based alloys and serves as a useful reference to professionals and researchers in aerospace, automotive and biomedical fields.

  5. Synthesis, characterization, and energetic properties of 6-amino-tetrazolo[1,5-b]-1,2,4,5-tetrazine-7-N-oxide: a nitrogen-rich material with high density.

    Science.gov (United States)

    Wei, Hao; Zhang, Jiaheng; Shreeve, Jean'ne M

    2015-05-01

    The synthesis and energetic properties of a novel N-oxide high-nitrogen compound, 6-amino-tetrazolo[1,5-b]-1,2,4,5-tetrazine-7-N-oxide, are described. Resulting from the N-oxide and fused rings system, this molecule exhibits high density, excellent detonation properties, and acceptable impact and friction sensitivities, which suggests potential applications as an energetic material. Compared to known high-nitrogen compounds, such as 3,6-diazido-1,2,4,5-tetrazine (DiAT), 2,4,6-tri(azido)-1,3,5-triazine (TAT), and 4,4',6,6'-tetra(azido)azo-1,3,5-triazine (TAAT), a marked performance and stability increase is seen. This supports the superior qualities of this new compound and the advantage of design strategy.

  6. Using internally cooled cutting tools in the machining of difficult-to-cut materials based on Waspaloy

    Directory of Open Access Journals (Sweden)

    Yahya Isik

    2016-05-01

    Full Text Available Nickel-based superalloys such as Waspaloy are used for engine components and in the nuclear industry, where considerable strength and corrosion resistance at high operating temperatures are called for. These characteristics of such alloys cause increases in cutting temperature and resultant tool damage, even at low cutting speeds and low feed rates. Thus, they are classified as difficult-to-cut materials. This article presents a cooling method to be used in metal cutting based on a tool holder with a closed internal cooling system with cooling fluid circulating inside. Hence, a green cooling method that does not harm the environment and is efficient in removing heat from the cutting zone was developed. A series of cutting experiments were conducted to investigate the practicality and effectiveness of the internally cooled tool model. The developed system achieved up to 13% better surface quality than with dry machining, and tool life was extended by 12%. The results clearly showed that with the reduced cutting temperature of the internal cooling, it was possible to control the temperature and thus prevent reaching the critical cutting temperature during the turning process, which is vitally important in extending tool life during the processing of Waspaloy.

  7. Prediction of material removal rate and surface roughness for wire electrical discharge machining of nickel using response surface methodology

    Directory of Open Access Journals (Sweden)

    Thangam Chinnadurai

    2016-12-01

    Full Text Available This study focuses on investigating the effects of process parameters, namely, Peak current (Ip, Pulse on time (Ton, Pulse off time (Toff, Water pressure (Wp, Wire feed rate (Wf, Wire tension (Wt, Servo voltage (Sv and Servo feed setting (Sfs, on the Material Removal Rate (MRR and Surface Roughness (SR for Wire electrical discharge machining (Wire-EDM of nickel using Taguchi method. Response Surface Methodology (RSM is adopted to evolve mathematical relationships between the wire cutting process parameters and the output variables of the weld joint to determine the welding input parameters that lead to the desired optimal wire cutting quality. Besides, using response surface plots, the interaction effects of process parameters on the responses are analyzed and discussed. The statistical software Mini-tab is used to establish the design and to obtain the regression equations. The developed mathematical models are tested by analysis-of-variance (ANOVA method to check their appropriateness and suitability. Finally, a comparison is made between measured and calculated results, which are in good agreement. This indicates that the developed models can predict the responses accurately and precisely within the limits of cutting parameter being used.

  8. Diamond Particle Detector Properties during High Fluence Material Damage Tests and their Future Applications for Machine Protection in the LHC

    CERN Document Server

    Burkart, F; Borburgh, J; Dehning, B; Di Castro, M; Griesmayer, E; Lechner, A; Lendaro, J; Loprete, F; Losito, R; Montesano, S; Schmidt, R; Wollmann, D; Zerlauth, M

    2013-01-01

    Experience with LHC machine protection (MP) during the last three years of operation shows that the MP systems sufficiently protect the LHC against damage in case of failures leading to beam losses with a time constant exceeding 1ms. An unexpected fast beam loss mechanism, called UFOs [1], was observed, which could potentially quench superconducting magnets. For such fast losses, but also for better understanding of slower losses, an improved understanding of the loss distribution within a bunch train is required [2]. Diamond particle detectors with bunch-by-bunch resolution and high dynamic range have been developed and successfully tested in the LHC and in experiments to quantify the damage limits of LHC components. This paper will focus on experience gained in use of diamond detectors. The properties of these detectors were measured during high-fluence material damage tests in CERN’s Hi-RadMat facility. The results will be discussed and compared to the cross-calibration with FLUKA simulations. Future app...

  9. An Important Energetic Material: 5-Substituted Tetrazole Energetic Metal Complexes%一类重要含能材料:5-取代四唑含能金属配合物

    Institute of Scientific and Technical Information of China (English)

    舒远杰; 李华荣; 高晓敏; 殷明; 熊鹰; 李寅川

    2011-01-01

    This paper introduces some synthesis and research trends of 5-subslituted tetrazole energetic metal complexes (TEMCs) .especially TEMCs with the most important ligands 5-cyanoletrazole ( CT), 5-nitrotetrazolium (NT) and 5-aminotetrazole,which may provide not only some academic guide for further sludy on TEMCs,but also designing and searching for new high energetic density compounds.%分类综述了5-取代四唑金属含能配合物(TEMCs)的合成及研究进展.目前,国内外关于TEMCs的研究不多,其中以5-氰基四唑(CT)、5-硝基四唑(NT)、5-氨基四唑(AT)为配体的TEMCs因其优越的性能和突出的特点,成为含能材料领域研究的重要方向.经过调研、分析,得出如下结论:①TEMCs的合成步骤较少、反应条件温和、易于操作和控制、产率高,且环境友好,但对其结构与性能的研究较困难,特别是对其固态摩尔生成焓的探究没有文献报道;②可通过改变外阳离子或中心金属离子、调控配合物分子中配体数目、调控合成过程等方式寻找性能优良的TEMCs;③通过有目的的设计和选择合适的配体与金属离子以及控制反应条件等因素来系统研究配合物的结构与性能,对指导实验研究具有重要意义.

  10. Response surface modelling of tool electrode wear rate and material removal rate in micro electrical discharge machining of Inconel 718

    DEFF Research Database (Denmark)

    Puthumana, Govindan

    2017-01-01

    conductivity and high strength causing it extremely difficult tomachine. Micro-Electrical Discharge Machining (Micro-EDM) is a non-conventional method that has a potential toovercome these restrictions for machining of Inconel 718. Response Surface Method (RSM) was used for modelling thetool Electrode Wear...

  11. High- and low-strain rate compression properties of several energetic material composites as a function of strain rate and temperature

    Energy Technology Data Exchange (ETDEWEB)

    Gray, G.T. III; Idar, D.J.; Blumenthal, W.R.; Cady, C.M.; Peterson, P.D.

    1998-12-31

    High- and low-strain rate compression data were obtained on several different energetic composites: PBX 9501, X0242-92-4-4, PBXN-9, as well as the polymeric binder used in PBX 9501 and X0242-92-4-4 composites. The effects of energetic-to-binder ratios, different binder systems, and different energetic formulations were investigated. All the energetic composites exhibit increasing elastic modulus, E, maximum flow stresses, {sigma}{sub m}, and strain-at-maximum stress, {var_epsilon}{sub m}, with increasing strain rate at ambient temperature. PBX 9501 displays marginally higher ultimate flow strength than X0242-92-4-4, and significantly higher ultimate compressive strength than PBXN-9 at quasi-static and dynamic strain rates. The failure mode of PBX 9501 and X0242-92-4-4 under high-rate loading changes from a mixture of ductile binder tearing and transgranular cleavage and cracking of the HMX when tested at 20 C to transgranular brittle HMX cleavage and glassy fracture of the binder at {minus}40 C.

  12. Nitrogen-rich salts based on the energetic [monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] anion: a promising design in the development of new energetic materials.

    Science.gov (United States)

    Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li

    2015-02-16

    Nitrogen-rich energetic salts involving various cations (lithium, 1; ammonium, 2; hydrazinium, 3; hydroxylammonium, 4; guanidinium, 5; aminoguanidinium, 6; diaminoguanidinium, 7; and triaminoguanidinium, 8) based on nitrogen-rich anion [Zn(BTA)2(H2O)](2-) (N% = 65.37, BTA = N,N-bis[1H-tetrazol-5-yl]amine anion) were synthesized with a simple method. The crystal structures of all compounds except 1, 2, and 6 were determined by single-crystal X-ray diffraction and fully characterized by elemental analysis and FT-IR spectroscopy. The thermal stabilities were investigated by differential scanning calorimetry (DSC). The DSC results show that all compounds exhibit high thermal stabilities (decomposition temperature >200 °C). Additionally, the heats of formation were calculated on the basis of the experimental constant-volume energies of combustion measured by using bomb calorimetry. Lastly, the sensitivities toward impact and friction were assessed according to Bundesamt für Materialforschung (BAM) standard methods.

  13. Energetic salt of trinitrophloroglucinol and melamine

    Science.gov (United States)

    Bowden, Patrick R.; Leonard, Philip W.; Lichthardt, Joseph P.; Tappan, Bryce C.; Ramos, Kyle J.

    2017-01-01

    We hope to harness the field of energetic co-crystals for development of insensitive, high-performing explosives. As demonstrated by other groups, co-crystals of energetic materials are diverse in their resultant properties versus the native materials. Herein, we discuss the synthesis, characterization, and testing of an energetic co-crystal of trinitrophloroglucinol (1,3,5-trihydroxy-2,4,6-trinitrobenzene) and melamine. Although melamine is not an energetic material, high nitrogen content and insensitivity can be of benefit in a co-crystal. Currently, trinitrophloroglucinol (TNPG) and melamine have been found to exist as a 1:1 ionic co-crystal. Characterization by NMR, IR, small-scale sensitivity, thermal stability and powder X-ray diffraction have all been used to characterize the individual compounds as well as the co-crystals developed.

  14. Assessing the effects of different dielectrics on environmentally conscious powder-mixed EDM of difficult-to-machine material (WC-Co)

    Science.gov (United States)

    Singh, Jagdeep; Sharma, Rajiv Kumar

    2016-12-01

    Electrical discharge machining (EDM) is a well-known nontraditional manufacturing process to machine the difficult-to-machine (DTM) materials which have unique hardness properties. Researchers have successfully performed hybridization to improve this process by incorporating powders into the EDM process known as powder-mixed EDM process. This process drastically improves process efficiency by increasing material removal rate, micro-hardness, as well as reducing the tool wear rate and surface roughness. EDM also has some input parameters, including pulse-on time, dielectric levels and its type, current setting, flushing pressure, and so on, which have a significant effect on EDM performance. However, despite their positive influence, investigating the effects of these parameters on environmental conditions is necessary. Most studies demonstrate the use of kerosene oil as dielectric fluid. Nevertheless, in this work, the authors highlight the findings with respect to three different dielectric fluids, including kerosene oil, EDM oil, and distilled water using one-variable-at-a-time approach for machining as well as environmental aspects. The hazard and operability analysis is employed to identify the inherent safety factors associated with powder-mixed EDM of WC-Co.

  15. Assessing the effects of different dielectrics on environmentally conscious powder-mixed EDM of difficult-to-machine material (WC-Co)

    Science.gov (United States)

    Singh, Jagdeep; Sharma, Rajiv Kumar

    2016-06-01

    Electrical discharge machining (EDM) is a well-known nontraditional manufacturing process to machine the difficult-to-machine (DTM) materials which have unique hardness properties. Researchers have successfully performed hybridization to improve this process by incorporating powders into the EDM process known as powder-mixed EDM process. This process drastically improves process efficiency by increasing material removal rate, micro-hardness, as well as reducing the tool wear rate and surface roughness. EDM also has some input parameters, including pulse-on time, dielectric levels and its type, current setting, flushing pressure, and so on, which have a significant effect on EDM performance. However, despite their positive influence, investigating the effects of these parameters on environmental conditions is necessary. Most studies demonstrate the use of kerosene oil as dielectric fluid. Nevertheless, in this work, the authors highlight the findings with respect to three different dielectric fluids, including kerosene oil, EDM oil, and distilled water using one-variable-at-a-time approach for machining as well as environmental aspects. The hazard and operability analysis is employed to identify the inherent safety factors associated with powder-mixed EDM of WC-Co.

  16. When Machines Design Machines!

    DEFF Research Database (Denmark)

    2011-01-01

    Until recently we were the sole designers, alone in the driving seat making all the decisions. But, we have created a world of complexity way beyond human ability to understand, control, and govern. Machines now do more trades than humans on stock markets, they control our power, water, gas...... and food supplies, manage our elevators, microclimates, automobiles and transport systems, and manufacture almost everything. It should come as no surprise that machines are now designing machines. The chips that power our computers and mobile phones, the robots and commercial processing plants on which we...... depend, all are now largely designed by machines. So what of us - will be totally usurped, or are we looking at a new symbiosis with human and artificial intelligences combined to realise the best outcomes possible. In most respects we have no choice! Human abilities alone cannot solve any of the major...

  17. Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials.

    Science.gov (United States)

    Liu, Yuji; Zhang, Jiaheng; Wang, Kangcai; Li, Jinshan; Zhang, Qinghua; Shreeve, Jean'ne M

    2016-09-12

    Bis(4-nitraminofurazanyl-3-azoxy)azofurazan (1) and ten of its energetic salts were prepared and fully characterized. Computational analysis based on isochemical shielding surface and trigger bond dissociation enthalpy provide a better understanding of the thermal stabilities for nitramine-furazans. These energetic compounds exhibit good densities, high heats of formation, and excellent detonation velocity and pressure. Some representative compounds, for example, 1 (vD : 9541 m s(-1) ; P: 40.5 GPa), and 4 (vD : 9256 m s(-1) ; P: 38.0 GPa) exhibit excellent detonation performances, which are comparable with current high explosives such as RDX (vD : 8724 m s(-1) ; P: 35.2 GPa) and HMX (vD : 9059 m s(-1) ; P: 39.2 GPa). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Complex Nanostructures: Synthesis and Energetic Applications

    OpenAIRE

    Dunwei Wang; Stafford Sheehan; Sa Zhou; Yongjing Lin; Xiaohua Liu

    2010-01-01

    Connected through single crystalline junctions, low dimensional materials such as nanowires and nanorods form complex nanostructures. These new materials exhibit mechanical strengths and electrical conductivities superior to their constituents while maintaining comparable surface areas, an attribute ideal for energetic applications. More efficient solar cells, higher capacity batteries and better performing photoelectrochemical cells have been built using these materials. This article reviews...

  19. A Study of 5-(1,2,4-Triazol-C-yl)tetrazol-1-ols: Combining the Benefits of Different Heterocycles for the Design of Energetic Materials.

    Science.gov (United States)

    Dippold, Alexander A; Izsák, Dániel; Klapötke, Thomas M

    2013-09-01

    The synthesis and full structural and spectroscopic characterization of three 5-(1,2,4-triazol-C-yl)tetrazol-1-ol compounds with selected energetic moieties including nitrimino (5), nitro (6) and azido (7) groups are reported. The influence of those energetic moieties as well as the C-C connection of a tetrazol-1-ol and a 1,2,4-triazole on structural and energetic properties has been investigated. All compounds were well characterized by various means, including IR and multinuclear NMR spectroscopy, mass spectrometry, and DSC. The molecular structures of 5-8 were determined in the solid state by single-crystal X-ray diffraction. The standard heats of formation were calculated on the CBS-4M level of theory utilizing the atomization energy method, revealing highly positive values for all compounds. The detonation parameters were calculated with the EXPLO5 program and compared to the common secondary explosive RDX. Additionally, sensitivities towards impact, friction and electrostatic discharge were determined.

  20. 晶形控制及形成共晶:含能材料改性研究的重要途径%Crystal Control and Cocrystal Formation:Important Route of Modification Research of Energetic Materials

    Institute of Scientific and Technical Information of China (English)

    舒远杰; 武宗凯; 刘宁; 丁小勇; 吴敏杰; 王可; 卢莹莹

    2015-01-01

    From the two aspects of experiment method and theoretical simulation for typical energetic materials such as HMX,TATB,CL-20,etc.,the latest progresses of study in the modification of energetic materials were re-viewed.Two modification methods about crystal control and cocrystal were mainly introduced.Through crystal con-trol,the stability,charge density and sensitivity etc for explosive can be effectively improved.Through cocrystal, the oxygen balance and sensitivity of explosive can be effectively improved and its heat of detonation,power capabili-ty and safety etc.can be improved.Molecular simulation can effectively reduce the screening work of conditions in the process of modification research of energetic materials.The best experimental method can be obtained through simulation and provides theoretical basis for experimental research.The research situation and development direction of energetic material modification are evaluated with 64 references.%从 HMX、TATB、CL-20等典型含能材料改性的实验方法及理论模拟两个方面,综述了含能材料改性研究的最新进展。重点介绍了晶形控制及共晶两种改性方法,即通过晶形控制可以有效改善炸药的安定性、装药密度、感度等性能,通过共晶可以有效改善炸药的氧平衡及感度,提高其爆热、作功能力及安全性等性能。分子模拟计算可以有效减少含能材料改性研究过程中的条件筛选工作,并得到最佳实验方案,为实验研究提供理论依据。评述了含能材料改性研究的现状及发展方向。附参考文献64篇。

  1. Effect of machining conditions on MRR and surface roughness during CNC Turning of different Materials Using TiN Coated Cutting Tools – A Taguchi approach

    Directory of Open Access Journals (Sweden)

    H. K. Raval

    2012-10-01

    Full Text Available This paper presents on experimental investigation of the machining characteristics of different grades of EN materials in CNC turning process using TiN coated cutting tools. In machining operation, the quality of surface finish is an important requirement for many turned work pieces. Thus, the choice of optimized cutting parameters is very important for controlling the required surface quality. The purpose of this research paper is focused on the analysis of optimum cutting conditions to get the lowest surface roughness and maximum material removal rate in CNC turning of different grades of EN materials by Taguchi method. Optimal cutting parameters for each performance measure were obtained employing Taguchi techniques. The orthogonal array, signal to noise ratio and analysis of variance were employed to study the performance characteristics in dry turning operation. ANOVA has shown that the depth of cut has significant role to play in producing higher MRR and insert has significant role to play for producing lower surface roughness. Thus, it is possible to increase machine utilization and decrease production cost in an automated manufacturing environment.

  2. Experimental Investigation of Effect of Process Parameters on Mrr and Surface Roughness In Turning Operation on Conventional Lathe Machine For Aluminum 6082 Grade Material Using Taguchi Method

    Directory of Open Access Journals (Sweden)

    Mihir T. Patel

    2014-01-01

    Full Text Available In this study, the effect of the machining parameters like spindle speed, feed, depth of cut and nose radius on material removal rate and surface roughness are investigated, also optimum process parameters are studied. An L8 orthogonal array (mixed level design, analysis of variance (ANOVA and the signal –to-noise (S/N ratio are used in this study. Mixed levels of machining parameters are used and experiments are done on conventional lathe machine. Aluminum Alloy - Al 6082 grade material is used in high stress applications, Trusses, Bridges, Cranes, Transport applications, Ore skips, Beer barrels, Milk churns etc. The most significant parameters for material removal rate are speed, depth of cut and least significant factor for MRR is nose radius For surface roughness speed, nose radius are the most significant parameters and least significant factor for surface roughness is depth of cut. The mathematical model obtained as a result of regression analysis can be reliable to predict MRR and surface roughness Ra.

  3. Quantitative structure-property relationships of electroluminescent materials: Artificial neural networks and support vector machines to predict electroluminescence of organic molecules

    Indian Academy of Sciences (India)

    Alana Fernandes Golin; Ricardo Stefani

    2013-12-01

    Electroluminescent compounds are extensively used as materials for application in OLED. In order to understand the chemical features related to electroluminescence of such compounds, QSPR study based on neural network model and support vector machine was developed on a series of organic compounds commonly used in OLED development. Radial-basis function-SVM model was able to predict the electroluminescence with good accuracy ( = 0.90). Moreover, RMSE of support vector machine model is approximately half of RMSE observed for artificial neural networks model, which is significant from the point of view of model precision, as the dataset is very small. Thus, support vector machine is a good method to build QSPR models to predict the electroluminescence of materials when applied to small datasets. It was observed that descriptors related to chemical bonding and electronic structure are highly correlated with electroluminescence properties. The obtained results can help in understating the structural features related to the electroluminescence, and supporting the development of new electroluminescent materials.

  4. Energetics of Si(001)

    NARCIS (Netherlands)

    Zandvliet, H.J.W.

    2000-01-01

    A classical thermodynamic description of a surface requires the introduction of a number of energetic parameters related to the surface steps. These parameters are the step free energy, the kink creation energy, and the energetic and entropic interactions between steps. This review will demonstrate

  5. Active interrogation using energetic protons

    Energy Technology Data Exchange (ETDEWEB)

    Morris, Christopher L [Los Alamos National Laboratory; Chung, Kiwhan [Los Alamos National Laboratory; Greene, Steven J [Los Alamos National Laboratory; Hogan, Gary E [Los Alamos National Laboratory; Makela, Mark [Los Alamos National Laboratory; Mariam, Fesseha [Los Alamos National Laboratory; Milner, Edward C [Los Alamos National Laboratory; Murray, Matthew [Los Alamos National Laboratory; Saunders, Alexander [Los Alamos National Laboratory; Spaulding, Randy [Los Alamos National Laboratory; Wang, Zhehui [Los Alamos National Laboratory; Waters, Laurie [Los Alamos National Laboratory; Wysocki, Frederick [Los Alamos National Laboratory

    2010-01-01

    Energetic proton beams provide an attractive alternative when compared to electromagnetic and neutron beams for active interrogation of nuclear threats because they have large fission cross sections, long mean free paths and high penetration, and they can be manipulated with magnetic optics. We have measured time-dependent cross sections and neutron yields for delayed neutrons and gamma rays using 800 MeV and 4 GeV proton beams with a set of bare and shielded targets. The results show significant signals from both unshielded and shielded nuclear materials. Measurements of neutron energies yield suggest a signature unique to fissile material. Results are presented in this paper.

  6. Machining of Metal Matrix Composites

    CERN Document Server

    2012-01-01

    Machining of Metal Matrix Composites provides the fundamentals and recent advances in the study of machining of metal matrix composites (MMCs). Each chapter is written by an international expert in this important field of research. Machining of Metal Matrix Composites gives the reader information on machining of MMCs with a special emphasis on aluminium matrix composites. Chapter 1 provides the mechanics and modelling of chip formation for traditional machining processes. Chapter 2 is dedicated to surface integrity when machining MMCs. Chapter 3 describes the machinability aspects of MMCs. Chapter 4 contains information on traditional machining processes and Chapter 5 is dedicated to the grinding of MMCs. Chapter 6 describes the dry cutting of MMCs with SiC particulate reinforcement. Finally, Chapter 7 is dedicated to computational methods and optimization in the machining of MMCs. Machining of Metal Matrix Composites can serve as a useful reference for academics, manufacturing and materials researchers, manu...

  7. Energetic neutral contamination in modern high-current implanters

    Science.gov (United States)

    Cherekdjian, S.; Weisenberger, W.

    1991-04-01

    The presence of energetic neutrals in a high-current, high-energy implant can result in nonuniformities on a silicon wafer. A larger concern is when the energetic neutrals are not of the desired energy. This is a major consideration when designing ion implanters with pre- and post-acceleration stages. This paper investigates the levels of pre-accelerated boron neutrals present in a 180 kV boron implant. The machines investigated were a Nova 20A and an Applied Materials PI9000. A comparison of their vacuum systems and their ability to cope with photoresist batches and argon backfill are presented. Silicon wafers were mapped by four-point probe resistivity measurements and the levels of pre-accelerated neutrals were quantified by spreading resistance profiles (SRPs). It is clearly demonstrated that good uniformity on a bare silicon wafer is not an indicator of a clean ion beam. Even though it is well understood that this problem is vacuum-related, modern high-current implanters are still being built and marketed with improper vacuum isolation and insufficient pumping capability.

  8. Energetic Materials Based on 5,5'-Diamino-4,4'-dinitramino-3,3'-bi-1,2,4-triazole.

    Science.gov (United States)

    Klapötke, Thomas M; Leroux, Marcel; Schmid, Philipp C; Stierstorfer, Jörg

    2016-03-18

    A simple and straightforward synthesis of 5,5'-diamino-4,4'-dinitramino-3,3'-bi-1,2,4-triazole by the selective nitration of 4,4',5,5'-tetraamino-3,3'-bi-1,2,4-triazole is presented. The interaction of the amino and nitramino groups improves the energetic properties of this functionalized bitriazole. For a deeper investigation of these properties, various nitrogen-rich derivatives were synthesized. The new compounds were investigated and characterized by spectroscopy ((1)H and (13)C NMR, IR, Raman), elemental analysis, mass spectrometry, differential thermal analysis (DTA), X-ray analysis, and impact and friction sensitivities (IS, FS). X-ray analyses were performed and deliver insight into structural characteristics with which the stability of the compounds can be explained. The standard enthalpies of formation were calculated for all compounds at the CBS-4M level of theory, revealing highly positive heats of formation. The energetic performance of the new molecules was predicted with the EXPLO5 V6.02 computer. A small-scale shock reactivity test (SSRT) and a toxicity test gave a first impression of the performance and toxicity of selective compounds.

  9. Study on Properties of Cast Iron Materials for Machine Tool%机床用铸铁材料的性能研究

    Institute of Scientific and Technical Information of China (English)

    符特

    2013-01-01

    综述了机床用铸铁(灰铸铁、球墨铸铁和蠕墨铸铁)材料的性能.分析了化学成分,力学佳能,应用领域和失效方式,并且介绍了提高其耐磨性的机理研究和工艺方法等方面取得的进展.这能为机床选材和制造提供依据.%The properties of cast iron, such as gray cast iron, vermicular cast iron and spheroidal graphite cast iron for machine tool, were reviewed. The chemical composition, mechanical property, application and failure mode were analyzed. And the recent progress of the mechanism research and process method about improving its wear resistance was introduced. This can provide the basis for choosing materials and manufacturing of machine tool.

  10. Machinability evaluation of machinable ceramics with fuzzy theory

    Institute of Scientific and Technical Information of China (English)

    YU Ai-bing; ZHONG Li-jun; TAN Ye-fa

    2005-01-01

    The property parameters and machining output parameters were selected for machinability evaluation of machinable ceramics. Based on fuzzy evaluation theory, two-stage fuzzy evaluation approach was applied to consider these parameters. Two-stage fuzzy comprehensive evaluation model was proposed to evaluate machinability of machinable ceramic materials. Ce-ZrO2/CePO4 composites were fabricated and machined for evaluation of machinable ceramics. Material removal rates and specific normal grinding forces were measured. The parameters concerned with machinability were selected as alternative set. Five grades were chosen for the machinability evaluation of machnable ceramics. Machinability grades of machinable ceramics were determined through fuzzy operation. Ductile marks are observed on Ce-ZrO2/CePO4 machined surface. Five prepared Ce-ZrO2/CePO4 composites are classified as three machinability grades according to the fuzzy comprehensive evaluation results. The machinability grades of Ce-ZrO2/CePO4 composites are concerned with CePO4 content.

  11. Solar Energetic Particles

    Science.gov (United States)

    Király, Péter

    Energetic particles recorded in the Earth environment and in interplanetary space have a multitude of origins, i.e. acceleration and propagation histories. At early days practically all sufficiently energetic particles were considered to have come either from solar flares or from interstellar space. Later on, co-rotating interplanetary shocks, the termination shock of the supersonic solar wind, planetary bow shocks and magnetospheres, and also coronal mass ejections (CME) were recognized as energetic particle sources. It was also recognized that less energetic (suprathermal) particles of solar origin and pick-up ions have also a vital role in giving rise to energetic particles in interplanetary disturbances. The meaning of the term "solar energetic particles" (SEP) is now somewhat vague, but essentially it refers to particles produced in disturbances fairly directly related to solar processes. Variation of intensity fluctuations with energy and with the phase of the solar cycle will be discussed. Particular attention will be given to extremes of time variation, i.e. to very quiet periods and to large events. While quiet-time fluxes are expected to shed light on some basic coronal processes, large events dominate the fluctuation characteristics of cumulated fluence, and the change of that fluctuation with energy and with the phase of the solar cycle may also provide important clues. Mainly ISEE-3 and long-term IMP-8 data will be invoked. Energetic and suprathermal particles that may never escape into interplanetary space may play an important part in heating the corona of the sun.

  12. Energetic ions in ITER plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Pinches, S. D. [ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St Paul-lez-Durance Cedex (France); Chapman, I. T.; Sharapov, S. E. [CCFE, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB (United Kingdom); Lauber, Ph. W. [Max-Planck-Institut für Plasmaphysik, EURATOM-Association, Boltzmanstraße 2, D-85748 Garching (Germany); Oliver, H. J. C. [H H Wills Physics Laboratory, University of Bristol, Royal Fort, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); CCFE, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB (United Kingdom); Shinohara, K. [Japan Atomic Energy Agency, Naka, Ibaraki 311-0193 (Japan); Tani, K. [Nippon Advanced Technology Co., Ltd, Naka, Ibaraki 311-0102 (Japan)

    2015-02-15

    This paper discusses the behaviour and consequences of the expected populations of energetic ions in ITER plasmas. It begins with a careful analytic and numerical consideration of the stability of Alfvén Eigenmodes in the ITER 15 MA baseline scenario. The stability threshold is determined by balancing the energetic ion drive against the dominant damping mechanisms and it is found that only in the outer half of the plasma (r/a>0.5) can the fast ions overcome the thermal ion Landau damping. This is in spite of the reduced numbers of alpha-particles and beam ions in this region but means that any Alfvén Eigenmode-induced redistribution is not expected to influence the fusion burn process. The influence of energetic ions upon the main global MHD phenomena expected in ITER's primary operating scenarios, including sawteeth, neoclassical tearing modes and Resistive Wall Modes, is also reviewed. Fast ion losses due to the non-axisymmetric fields arising from the finite number of toroidal field coils, the inclusion of ferromagnetic inserts, the presence of test blanket modules containing ferromagnetic material, and the fields created by the Edge Localised Mode (ELM) control coils in ITER are discussed. The greatest losses and associated heat loads onto the plasma facing components arise due to the use of the ELM control coils and come from neutral beam ions that are ionised in the plasma edge.

  13. Energetic ions in ITER plasmas

    Science.gov (United States)

    Pinches, S. D.; Chapman, I. T.; Lauber, Ph. W.; Oliver, H. J. C.; Sharapov, S. E.; Shinohara, K.; Tani, K.

    2015-02-01

    This paper discusses the behaviour and consequences of the expected populations of energetic ions in ITER plasmas. It begins with a careful analytic and numerical consideration of the stability of Alfvén Eigenmodes in the ITER 15 MA baseline scenario. The stability threshold is determined by balancing the energetic ion drive against the dominant damping mechanisms and it is found that only in the outer half of the plasma ( r / a > 0.5 ) can the fast ions overcome the thermal ion Landau damping. This is in spite of the reduced numbers of alpha-particles and beam ions in this region but means that any Alfvén Eigenmode-induced redistribution is not expected to influence the fusion burn process. The influence of energetic ions upon the main global MHD phenomena expected in ITER's primary operating scenarios, including sawteeth, neoclassical tearing modes and Resistive Wall Modes, is also reviewed. Fast ion losses due to the non-axisymmetric fields arising from the finite number of toroidal field coils, the inclusion of ferromagnetic inserts, the presence of test blanket modules containing ferromagnetic material, and the fields created by the Edge Localised Mode (ELM) control coils in ITER are discussed. The greatest losses and associated heat loads onto the plasma facing components arise due to the use of the ELM control coils and come from neutral beam ions that are ionised in the plasma edge.

  14. Design of rotating electrical machines

    CERN Document Server

    Pyrhonen , Juha; Hrabovcova , Valeria

    2013-01-01

    In one complete volume, this essential reference presents an in-depth overview of the theoretical principles and techniques of electrical machine design. This timely new edition offers up-to-date theory and guidelines for the design of electrical machines, taking into account recent advances in permanent magnet machines as well as synchronous reluctance machines. New coverage includes: Brand new material on the ecological impact of the motors, covering the eco-design principles of rotating electrical machinesAn expanded section on the design of permanent magnet synchronous machines, now repo

  15. Absorption and Photocatalytic Degradation of Machine Oil by Exfoliated Graphite-Supported Nanometer TiO2 Material

    Institute of Scientific and Technical Information of China (English)

    CAO Hong; MA Enbao; WANG Xuehua; CHEN Jiazang; BIN Xiaobei

    2006-01-01

    By loading nanometer anatase onto exfoliated graphite with the sol-gel method, exfoliated graphite-TiO2 composite (EG-TiO2) can be prepared, which can adsorb oil and can also degrade oil. In a technologic condition for preparing EG-TiO2, the impregnated number of times is the most important factor to influence oil-adsorbing capability, that is, when the impregnated number of times increases,the amount of saturation-adsorbed oil decreases. The study of EG-TiO2 photocatalytic degradation of machine oil based on the weight-loss method and infrared spectrum method indicates that EG-TiO2 has obvious effect of photocatalytic degradation for machine oil. Its performance is superior to pure nanometer TiO2 powder because nanometer TiO2 in EG-TiO2 has three-dimension laminar structure and comparatively high adsorption capability.

  16. Hybrid machining processes perspectives on machining and finishing

    CERN Document Server

    Gupta, Kapil; Laubscher, R F

    2016-01-01

    This book describes various hybrid machining and finishing processes. It gives a critical review of the past work based on them as well as the current trends and research directions. For each hybrid machining process presented, the authors list the method of material removal, machining system, process variables and applications. This book provides a deep understanding of the need, application and mechanism of hybrid machining processes.

  17. Determination of optimal parameters in drilling composite materials to minimize the machining temperature using the Taguchi method

    OpenAIRE

    Lopes, Ana C.; Fernandes, Maria G.A.; Ribeiro, J. E.; Fonseca, E.M.M.

    2016-01-01

    Dental implant is used to replace the natural dental root. The process to fix the dental implant in the maxillary bone needs a previous drilling operation. This machining operation involves the increasing of temperature in the drilled region which can reach values higher than 47°C and for this temperature is possible to occur the osseous necrosis [I]. The main goal of this work is to implement an optimization method to define the optimal drilling parameters that cou...

  18. INFLUENCE OF SELF-TAPPING SCREW ELECTRO-ARC MACHINING ON ITS TWISTING-IN IN SPECIMENS MADE OF VARIOUS MATERIALS AND TWISTING-OUT PROCEDURE

    Directory of Open Access Journals (Sweden)

    M. G. Kiselev

    2015-01-01

    Full Text Available The paper provides an experimental evaluation pertaining to the influence of steel self-tapping screw on its twisting-in specimens made of various materials and its twisting-out process. Main principles of the investigation methodology including description of  technological scheme of self-tapping screw electro-arc machining and specimens applied while executing the experiments and hardware measuring tools used for fixation of torque which has been applied to the self-tapping screw during its twisting-in in the specimen  and its twisting-out process have been presented in the paper. It has been established that the self-tapping screw electro-arc machining initiates formation of dimples (holes which have solidified metal flows along their edges. The flows give a cutting ability to the screw and so they exert an influence on the conditions of screw’s interaction with the specimen during its twisting-in and twisting-out processes.The paper presents results of experimental investigations that demonstrate an impact of self-tapping screw electro-arc machining on its twisting-in in the specimens made of various materials and twisting-out procedure. In particular, it has been ascertained that torque value applied to the self-tapping screw with modified surface during twisting-in process is less in comparison with the self-tapping screw having an initial state of its surface and in the case of its twisting-out process the value is higher. In this respect difference between the indicated torque values is increasing when material hardness of the specimen becomes higher. 

  19. Advanced Analysis of Nontraditional Machining

    CERN Document Server

    Tsai, Hung-Yin

    2013-01-01

    Nontraditional machining utilizes thermal, chemical, electrical, mechanical and optical sources of energy to form and cut materials. Advanced Analysis of Nontraditional Machining explains in-depth how each of these advanced machining processes work, their machining system components, and process variables and industrial applications, thereby offering advanced knowledge and scientific insight. This book also documents the latest and frequently cited research results of a few key nonconventional machining processes for the most concerned topics in industrial applications, such as laser machining, electrical discharge machining, electropolishing of die and mold, and wafer processing for integrated circuit manufacturing. This book also: Fills the gap of the advanced knowledge of nonconventional machining between industry and research Documents latest and frequently cited research of key nonconventional machining processes for the most sought after topics in industrial applications Demonstrates advanced multidisci...

  20. GA/AN 纳米复合含能材料的制备与表征%Preparation and Characterization of Graphene Aerogel/Ammonium Nitrate Nano Composite Energetic Materials

    Institute of Scientific and Technical Information of China (English)

    兰元飞; 罗运军

    2015-01-01

    The graphene aerogel/ammonium nitrate (GA/AN)nano composite energetic material was prepared by the sol-gel method and supercritical CO2 drying method.The morphology and structure of GA/AN nano composite energetic material were characterized by elemental analysis (EA),scanning electron microscope (SEM),nitrogen sorption tests and X-ray diffraction (XRD).The thermal decomposition behavior was investigated by TG and DSC. The results show that AN exists by nano size in the GA with an average particle size of 71 nm,mass fraction of 92.71%.GA exhibits the promoting effects in the thermal decomposition process of AN.Compared to pure AN, the decomposition peak temperature of GA/AN nano composite energetic material decreases by 33.68℃ and the apparent heat of decomposition increases by 532.78 J/g.%通过溶胶-凝胶法和超临界二氧化碳干燥法制备了石墨烯气凝胶/硝酸铵(GA/AN)纳米复合含能材料。采用元素分析(EA)、扫描电子显微镜(SEM)、N2吸附测试和 X 射线衍射(XRD)对 GA/AN 纳米复合含能材料的形貌和结构进行了表征,用 TG 和 DSC 测试了其热分解性能。结果表明,在 GA/AN 纳米复合含能材料中,AN 以纳米尺寸存在于石墨烯气凝胶中,平均粒径为71 nm,质量分数为92.71%。石墨烯对 AN 的热分解具有促进作用,与纯 AN 相比,GA/AN 纳米复合含能材料的热分解温度提前33.68℃,表观分解热增加了532.78 J/g。

  1. Theory and practice in machining systems

    CERN Document Server

    Ito, Yoshimi

    2017-01-01

    This book describes machining technology from a wider perspective by considering it within the machining space. Machining technology is one of the metal removal activities that occur at the machining point within the machining space. The machining space consists of structural configuration entities, e.g., the main spindle, the turret head and attachments such the chuck and mandrel, and also the form-generating movement of the machine tool itself. The book describes fundamental topics, including the form-generating movement of the machine tool and the important roles of the attachments, before moving on to consider the supply of raw materials into the machining space, and the discharge of swarf from it, and then machining technology itself. Building on the latest research findings “Theory and Practice in Machining System” discusses current challenges in machining. Thus, with the inclusion of introductory and advanced topics, the book can be used as a guide and survey of machining technology for students an...

  2. Theoretical studies on nitrogen rich energetic azoles.

    Science.gov (United States)

    Ghule, Vikas Dasharath; Sarangapani, Radhakrishnan; Jadhav, Pandurang M; Tewari, Surya P

    2011-06-01

    Different nitro azole isomers based on five membered heterocyclics were designed and investigated using computational techniques in order to find out the comprehensive relationships between structure and performances of these high nitrogen compounds. Electronic structure of the molecules have been calculated using density functional theory (DFT) and the heat of formation has been calculated using the isodesmic reaction approach at B3LYP/6-31G* level. All designed compounds show high positive heat of formation due to the high nitrogen content and energetic nitro groups. The crystal densities of these energetic azoles have been predicted with different force fields. All the energetic azoles show densities higher than 1.87 g/cm(3). Detonation properties of energetic azoles are evaluated by using Kamlet-Jacobs equation based on the calculated densities and heat of formations. It is found that energetic azoles show detonation velocity about 9.0 km/s, and detonation pressure of 40GPa. Stability of the designed compounds has been predicted by evaluating the bond dissociation energy of the weakest C-NO(2) bond. The aromaticity using nucleus independent chemical shift (NICS) is also explored to predict the stability via delocalization of the π-electrons. Charge on the nitro group is used to assess the impact sensitivity in the present study. Overall, the study implies that all energetic azoles are found to be stable and expected to be the novel candidates of high energy density materials (HEDMs).

  3. Combination of 1,2,4-Oxadiazole and 1,2,5-Oxadiazole Moieties for the Generation of High-Performance Energetic Materials.

    Science.gov (United States)

    Wei, Hao; He, Chunlin; Zhang, Jiaheng; Shreeve, Jean'ne M

    2015-08-03

    Salts generated from linked 1,2,4-oxadiazole/1,2,5-oxadiazole precursors exhibit good to excellent thermal stability, density, and, in some cases, energetic performance. The design of these compounds was based on the assumption that by the combination of varying oxadiazole rings, it would be possible to profit from the positive aspects of each of the components. All of the new compounds were fully characterized by elemental analysis, IR spectroscopy, (1)H, (13)C, and (in some cases) (15)N NMR spectroscopy, and thermal analysis (DSC). The structures of 2-3 and 5-1⋅5 H2O were confirmed by single-crystal X-ray analysis. Theoretical performance calculations were carried out by using Gaussian 03 (Revision D.01). Compound 2-3, with its good density (1.85 g cm(-3)), acceptable sensitivity (14 J, 160 N), and superior detonation pressure (37.4 GPa) and velocity (9046 m s(-1)), exhibits performance properties superior to those of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives: a family of insensitive energetic materials.

    Science.gov (United States)

    Xu, Yuangang; Liu, Wei; Li, Dongxue; Chen, Houhe; Lu, Ming

    2017-08-22

    The combination of the hydrothermal method with in situ synthesis has been successfully employed to prepare a family of tetrazole-based energetic metal-organic frameworks (EMOFs) ([Ag(Mtta)]n, 1; [Cd5(Mtta)9]n, 2; [Pb3(bta)2(O)2(H2O)]n, 3; and [Pb(tztr)2(H2O)]n, 4) through [2 + 3] cycloaddition of azide anions and nitrile groups. All the synthesized EMOFs were characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis (EA), different scanning calorimetry (DSC), and thermogravimetry (TG). Both complexes 1 and 4 consist of reticular two-dimensional (2D) layers that are linked by π-π overlap interactions between the ligands in neighbouring layers to form 3D supramolecular structures. In contrast, complexes 2 and 3 are 3D frameworks. The in situ formation of ligands bta and tztr has been described for the first time. Remarkably, thermogravimetric measurements demonstrated that the EMOFs 1-4 possess excellent thermostabilities with high decomposition temperatures up to 354, 389, and 372 °C for 1, 2, and 4, respectively. Sensitivity tests revealed that all the EMOFs are extremely insensitive.

  5. An Experimental investigation of sea sand as an Abrasive material in vibrating chamber by using Tungsten Carbide Nozzle in Abrasive Jet machining Process.

    Directory of Open Access Journals (Sweden)

    N. S. Pawar

    2013-10-01

    Full Text Available A large number of investigation carried out in Abrasive jet machining and water jet machining process with different parameter but no detailed work have been found or carried out by using sea sand as an abrasive in AJM process by using different types of nozzles and variable parameters. The present work gives performance of sand having grain structure of 100-150 micron in the tungsten carbide nozzle. Theexperimentation in this study give characteristic of sea sand as abrasive material. The parameter like pressure, standoff distance of nozzle from work piece keeping constant and variable. It give the result of material removal rate , powder flow rate, similar to actually abrasive used like Aluminum oxide, silicon oxide etc. The R square value o.97 to 0.996 degree of polynomial equation. It is also notice that width of cut slightly increase with increase of feed rate .The taper cut slot was found to be a higher at greater stand of distance and work feed rate .Tungsten carbide is very hard. It maintain high cutting ability as abrasive strike on work piece

  6. Machine Translation

    Institute of Scientific and Technical Information of China (English)

    张严心

    2015-01-01

    As a kind of ancillary translation tool, Machine Translation has been paid increasing attention to and received different kinds of study by a great deal of researchers and scholars for a long time. To know the definition of Machine Translation and to analyse its benefits and problems are significant for translators in order to make good use of Machine Translation, and helpful to develop and consummate Machine Translation Systems in the future.

  7. Sustainable machining

    CERN Document Server

    2017-01-01

    This book provides an overview on current sustainable machining. Its chapters cover the concept in economic, social and environmental dimensions. It provides the reader with proper ways to handle several pollutants produced during the machining process. The book is useful on both undergraduate and postgraduate levels and it is of interest to all those working with manufacturing and machining technology.

  8. A Study on Effect of Graphite Particles on Tensile, Hardness and Machinability of Aluminium 8011 Matrix Material

    Science.gov (United States)

    Latha Shankar, B.; Anil, K. C.; Karabasappagol, Prasann J.

    2016-09-01

    Industrial application point of view, metal matrix composites in general and Aluminium alloy matrix composites in particular are ideal candidates because of their favourable engineering properties. Being lightweight Aluminium matrix composites are widely used in aircraft, defence and automotive industries. In this work Aluminium 8011 metal matrix was reinforced with fine Graphite particles of 50 μm. developed by two-step Stir casting method. Graphite weight %was varied in the range 2, 4, 6 and 8%. Uniform dispersion of graphite particle is examined under optical microscope. Tensile test coupons were prepared as per standard to determine % of elongation and tensile strength for various % of graphite particle. Hardness of developed composite for various % of graphite particle and Machinability parameters were also studied for effect on surface finish. It was observed that with increase of weight percentage of Graphite particles up to 8% in Aluminium 8011 alloy matrix there was increase in tensile strength, decrease in % of elongation with increase in hardness. Machinability study revealed that, there was decrease in surface roughness with increase in Graphite content.

  9. Micro-machining.

    Science.gov (United States)

    Brinksmeier, Ekkard; Preuss, Werner

    2012-08-28

    Manipulating bulk material at the atomic level is considered to be the domain of physics, chemistry and nanotechnology. However, precision engineering, especially micro-machining, has become a powerful tool for controlling the surface properties and sub-surface integrity of the optical, electronic and mechanical functional parts in a regime where continuum mechanics is left behind and the quantum nature of matter comes into play. The surprising subtlety of micro-machining results from the extraordinary precision of tools, machines and controls expanding into the nanometre range-a hundred times more precise than the wavelength of light. In this paper, we will outline the development of precision engineering, highlight modern achievements of ultra-precision machining and discuss the necessity of a deeper physical understanding of micro-machining.

  10. Climate protection, natural resources management and soil improvement by combined Energetic and Material Utilization of lignocellulosic agricultural WAstes and residues (CEMUWA); Klimaschutz, Naturressourcenschutz und Bodenverbesserung durch kombinierte energetische und stoffliche Verwertung lignozelluloser landwirtschaftlicher Abfaelle und Reststoffe

    Energy Technology Data Exchange (ETDEWEB)

    Schuech, Andrea; Nelles, Michael; Tscherpel, Burckhard; El Behery, Ahmed; Menanz, Rania; Bahl, Hubert; Scheel, Michael; Nipkow, Mareen

    2015-07-01

    The project Climate protection, natural resources management and soil improvement by combined Energetic and Material Utilization of lignocellulosic agricultural WAstes and residues (CEMUWA) was implemented with long-term partners from Egypt and Germany leaded by the Department Waste Management and Material Flow from September 2011 until October 2013. Aim of the project was the development of technologies for the utilization of agricultural wastes and residues at the example of rice straw, with the focus on the energetic and material use. In the long term a contribution to climate protection and natural resource management could be reached. The focus was on investigations in the field of biogas, ethanol and butanol production including pretreatment as well as the material use in horticulture. The results show that the biogas and ethanol production with adapted pretreatments of rice straws is possible. The technical adaptation of a biogas plant (eo-digestion) would be associated with about 20% higher investment costs and higher operating costs with an approximately 15% higher energy demand. In Germany, however, this may still economically by the substitution of expensive or difficult available energy crops (reduction of substrate costs by 30 to 35% for a 600 kWel-BGP using maize silage). The investigated solutions for material use in Egypt showed good results, which in some cases exceeded the expectations. By the use of rice straw imported peat substrates could be substitute or irrigation water saved, what is ecologically and economically useful. The production of ethanol from rice straw was implemented on laboratory scale and preconditions for investigations in semi-industrial and partly pilot scale were created. The bilateral project'' was funded in the framework of the German-Egypt-Research-Fond (GERF) by the German Federal Ministry of Education and Research (BMBF) and the Egyptian Science and Technology Development Fund in Egypt (STDF). The total budget

  11. Energetic reuse: the use of energy from organic material from urban waste for plastics recycling; Reaproveitamento energetico: uso de energia proveniente de material organico dos residuos urbanos para reciclar plasticos

    Energy Technology Data Exchange (ETDEWEB)

    Carneiro, Priscila Alves; Rocha, Carlos Roberto [Universidade Federal de Itajuba (EXCEN/UNIFEI), MG (Brazil). Centro de Excelencia em Eficiencia Energetica

    2008-07-01

    The population growth and the elevation of the purchasing status due to economic development impel the gradual increase of residues produced a year. The discarding of these residues represents a great economic and environmental challenge, mainly because of discarded plastic concentration with no energetic and economic use, a also because of the organic material that, after decomposing, produces methane, one of the most responsible for global heating when in contact with atmosphere with no control. The recycling of plastic residues is a solution to minimize its discard and to guarantee an environmental improvement for saving raw matter, however the high consumption of energy endears the process, making it difficult its economic viability. This takes the search of new alternatives for attainment of low cost energy. In the problem of discard of the organic matter it can be the solution for the recycling of these residues. The decomposition of the organic matter produces fuel (biogas) useful as power plant for the generation of necessary electricity to the recycling process. The present study analyses an alternative to recycle plastic residues, after being consumed, in some places for discarding and using energy from biogas produced in landfills or biodigestors. Initially it was carried through a data-collecting and analysis of the physical composition of the residues, indispensable to the development of the study, which allowed to daily find the average percentage of plastics (12,9%) and organic matter (41,9%) made use by the involved population. On the basis of the data of organic matter the determination in such a way of the potential of generation of the biogas as of the electric power 'recycled' was possible to leave of that they would be discarded without any use. Data-collecting on equipment used in the plastic recycling had been essential for attainment of the necessary average energy demand to the process in such a way not only for soft plastic and

  12. Machine musicianship

    Science.gov (United States)

    Rowe, Robert

    2002-05-01

    The training of musicians begins by teaching basic musical concepts, a collection of knowledge commonly known as musicianship. Computer programs designed to implement musical skills (e.g., to make sense of what they hear, perform music expressively, or compose convincing pieces) can similarly benefit from access to a fundamental level of musicianship. Recent research in music cognition, artificial intelligence, and music theory has produced a repertoire of techniques that can make the behavior of computer programs more musical. Many of these were presented in a recently published book/CD-ROM entitled Machine Musicianship. For use in interactive music systems, we are interested in those which are fast enough to run in real time and that need only make reference to the material as it appears in sequence. This talk will review several applications that are able to identify the tonal center of musical material during performance. Beyond this specific task, the design of real-time algorithmic listening through the concurrent operation of several connected analyzers is examined. The presentation includes discussion of a library of C++ objects that can be combined to perform interactive listening and a demonstration of their capability.

  13. Machining fiber-reinforced composites

    Science.gov (United States)

    Komanduri, Ranga

    1993-04-01

    Compared to high tool wear and high costs of tooling of fiber-reinforced composites (FRCs), noncontact material-removal processes offer attractive alternative. Noncontact machining methods can also minimize dust, noise, and extensive plastic deformation and consequent heat generation associated with conventional machining of FRCs, espacially those with an epoxy matrix. The paper describes the principles involved in and the details of machining of FRCs by laser machining, water jet-cutting and abrasive water jet-cutting, and electrical discharge machining of composites, as well as the limitations of each method.

  14. FORMING AND PRECISION MACHINING TO NANOMATERIALS LUMP

    Institute of Scientific and Technical Information of China (English)

    Zhan Jie; Zhang Jin; Chen Bingkui; Chen Xiaoan

    2004-01-01

    The technology of forming and machining lump nano-materials has been investigated. Grinding, abrasive machining test has been conducted to Fe, Co, Ni and Al lump nano-materials. Experiments have been done to measure grinding force, grinding thermal, machining roughness and micro-hardness. Image analysis is carried out by metallographic and scanning tunnel microscopic microscope. Researches provide the basis data for forming and machining lump nano-materials.

  15. Nanostructured energetic composites: synthesis, ignition/combustion modeling, and applications.

    Science.gov (United States)

    Zhou, Xiang; Torabi, Mohsen; Lu, Jian; Shen, Ruiqi; Zhang, Kaili

    2014-03-12

    Nanotechnology has stimulated revolutionary advances in many scientific and industrial fields, particularly in energetic materials. Powder mixing is the simplest and most traditional method to prepare nanoenergetic composites, and preliminary findings have shown that these composites perform more effectively than their micro- or macro-sized counterparts in terms of energy release, ignition, and combustion. Powder mixing technology represents only the minimum capability of nanotechnology to boost the development of energetic material research, and it has intrinsic limitations, namely, random distribution of fuel and oxidizer particles, inevitable fuel pre-oxidation, and non-intimate contact between reactants. As an alternative, nanostructured energetic composites can be prepared through a delicately designed process. These composites outperform powder-mixed nanocomposites in numerous ways; therefore, we comprehensively discuss the preparation strategies adopted for nanostructured energetic composites and the research achievements thus far in this review. The latest ignition and reaction models are briefly introduced. Finally, the broad promising applications of nanostructured energetic composites are highlighted.

  16. An Ag(I) energetic metal-organic framework assembled with the energetic combination of furazan and tetrazole: synthesis, structure and energetic performance.

    Science.gov (United States)

    Qu, Xiao-Ni; Zhang, Sheng; Wang, Bo-Zhou; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, San-Ping

    2016-04-28

    A novel Ag(I) energetic MOF [Ag16(BTFOF)9]n·[2(NH4)]n () assembled with Ag(iI ions and a furazan derivative, 4,4'-oxybis[3,3'-(1H-5-tetrazol)]furazan (H2BTFOF) was successfully synthesized and structurally characterized, featuring a three-dimensional porous structure incorporating ammonium cations. The thermal stability and energetic properties were determined, revealing that the 3D energetic MOF had an outstanding insensitivity (IS > 40 J), an ultrahigh detonation pressure (P) of 65.29 GPa and a detonation velocity (D) of 11.81 km cm(-3). In addition, the self-accelerating decomposition temperature (TSADT) and the critical temperature of thermal explosion (Tb) are also discussed in detail. The finding exemplifies that the assembly strategy plays a decisive role in the density and energetic properties of MOF-based energetic materials.

  17. Chipping machines: disc and drum energy requirements

    Directory of Open Access Journals (Sweden)

    Alessio Facello

    2013-09-01

    Full Text Available Air pollution and fossil fuel reserves exhaustion are increasing the importance of the biomass-derived products, in particular wood, as source of clean and renewable energy for the production of electricity or steam. In order to improve the global efficiency and the entire production chain, we have to evaluate the energetic aspects linked to the process of transformation, handling and transport of these materials. This paper reports results on a comparison between two chippers of similar size using different cutting technology: disc and drum tool respectively. During trials, fuel consumption, PTO torque and speed, processing time and weight of processed material were recorded. Power demand, fuel consumption, specific energy and productivity were computed. The machine was fed with four different feedstock types (chestnut logs, poplar logs, poplar branches, poplar sawmill residues. 15 repetitions for each combination of feedstock-tool were carried out. The results of this study show that the disc tool requires, depending on the processed material, from 12 to 18% less fuel per unit of material processed than the drum tool, and consequently, from 12 to 16% less specific energy. In particular, the highest difference between tools was found in branches processing whereas the smallest was in poplar logs. Furthermore the results of the investigation indicate, that, in testing conditions, the productivity of drum tool is higher (8% than disc tool.

  18. Simple machines

    CERN Document Server

    Graybill, George

    2007-01-01

    Just how simple are simple machines? With our ready-to-use resource, they are simple to teach and easy to learn! Chocked full of information and activities, we begin with a look at force, motion and work, and examples of simple machines in daily life are given. With this background, we move on to different kinds of simple machines including: Levers, Inclined Planes, Wedges, Screws, Pulleys, and Wheels and Axles. An exploration of some compound machines follows, such as the can opener. Our resource is a real time-saver as all the reading passages, student activities are provided. Presented in s

  19. Residues from low-order energetic materials: the comparative performance of a range of sampling approaches prior to analysis by ion chromatography.

    Science.gov (United States)

    Szomborg, Katarzyna; Jongekrijg, Fleur; Gilchrist, Elizabeth; Webb, Tony; Wood, Dan; Barron, Leon

    2013-12-10

    A quantitative study of common forensic evidence collection devices for the recovery of low-explosive residues from non-porous glass and plastic is presented herein. Swabbing materials including cotton, rayon, Nomex(®) (poly(isophthaloylchloride/m-phenylenediamine)), Teflon/Teflon-coated fibreglass (polytetrafluoroethylene) and adhesive-coated tapes were used to collect known quantities of up to 14 forensically relevant inorganic and organic anion and cation species from both surfaces. Analysis was performed using two validated ion chromatography methods. This study revealed that all swabs and surfaces contributed highly variable levels of interfering ionic species and that swabbing materials showed variance in the quantities and total number of analytes recovered from both surfaces. Teflon and Nomex(®) materials demonstrated the most promise due to their ability to collect and release analytes into simple extraction solvents as well as displaying relatively low endogenous interference. In parallel, the ability to extract residue directly from both surfaces via the addition of a suitable extraction solvent was investigated instead of swabbing. This work highlights that direct solvent extraction from a surface should be considered as an alternative approach, especially for small areas or objects. To the best of our knowledge, this work represents the most comprehensive study of the efficiencies of sample collection technologies for low-explosive residues prior to analysis by ion chromatography.

  20. Energetic Materials with Promising Properties: Synthesis and Characterization of 4,4'-Bis(5-nitro-1,2,3-2H-triazole) Derivatives.

    Science.gov (United States)

    He, Chunlin; Shreeve, Jean'ne M

    2015-05-18

    Using a variety of functionalization strategies, derivatives of 4, 4'-bis(5-nitro-1,2,3-2H-triazole) were designed, synthesized, and characterized. The isomers were separated, their structures were confirmed with single-crystal X-ray analysis, and their properties were determined by differential scanning calorimetry, density, impact sensitivity, heat of formation, and detonation velocity and pressure (calculated by EXPLO5 V6.01). Those materials were found to exhibit superior detonation performance when compared with the other fully carbon-nitrated bis(azoles).