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Sample records for hmx based high

  1. Deflagration of HMX-Based Explosives at High Temperatures and Pressures

    SciTech Connect

    Maienschein, J L; Wardell, J F; DeHaven, M R; Black, C K

    2004-05-12

    We measure the deflagration behavior of energetic materials at extreme conditions (up to 520K and 1 GPa) in the LLNL High Pressure Strand Burner, thereby obtaining reaction rate data for prediction of violence of thermal explosions. The apparatus provides both temporal pressure history and flame time-of-arrival information during deflagration, allowing direct calculation of deflagration rate as a function of pressure. Samples may be heated before testing. Here we report the deflagration behavior of several HMX-based explosives at pressures of 10-600 MPa and temperatures of 300-460 K. We find that formulation details are very important to overall deflagration behavior. Formulations with high binder content (>15 wt%) deflagrate smoothly over the entire pressure range regardless of particle size, with a larger particle size distribution leading to a slower reaction. The deflagration follows a power law function with the pressure exponent being unity. Formulations with lower binder content ({le} 10% or less by weight) show physical deconsolidation at pressures over 100-200 MPA, with transition to a rapid erratic deflagration 10-100 times faster. High temperatures have a relatively minor effect on the deflagration rate until the HMX {beta} {yields} {delta} phase transition occurs, after which the deflagration rate increases by more than a factor of 10.

  2. HMX based enhanced energy LOVA gun propellant.

    PubMed

    Sanghavi, R R; Kamale, P J; Shaikh, M A R; Shelar, S D; Kumar, K Sunil; Singh, Amarjit

    2007-05-01

    Efforts to develop gun propellants with low vulnerability have recently been focused on enhancing the energy with a further improvement in its sensitivity characteristics. These propellants not only prevent catastrophic disasters due to unplanned initiation of currently used gun propellants (based on nitrate esters) but also realize enhanced energy levels to increase the muzzle velocity of the projectiles. Now, in order to replace nitroglycerine, which is highly sensitive to friction and impact, nitramines meet the requirements as they offer superior energy due to positive heat of formation, typical stoichiometry with higher decomposition temperatures and also owing to negative oxygen balance are less sensitive than stoichiometrically balanced NG. RDX has been widely reported for use in LOVA propellant. In this paper we have made an effort to present the work on scantily reported nitramine HMX based LOVA gun propellant while incorporating energetic plasticizer glycidyl azide polymer to enhance the energy level. HMX is known to be thermally stable at higher temperature than RDX and also proved to be less vulnerable to small scale shaped charge jet attack as its decomposition temperature is 270 degrees C. HMX also offers improved impulse due to its superior heat of formation (+17 kcal/mol) as compared to RDX (+14 kcal/mol). It has also been reported that a break point will not appear until 35,000 psi for propellant comprising of 5 microm HMX. Since no work has been reported in open literature regarding replacement of RDX by HMX, the present studies were carried out.

  3. Deflagration Behavior of HMX-Based Explosives at High Temperatures and Pressures

    SciTech Connect

    Maienschein, J L; Wardell, J F

    2003-11-20

    We report the deflagration behavior of several HMX-based explosives at pressure from 10-600 MPa and temperatures from 20-180 C. We have made laminar burn rate measurements with the LLNL High Pressure Strand Burner, in which burn wires are used to record the time-of-arrival of the burn front in the cylindrical sample as a function of pressure. The explosive samples are 6.4 mm in diameter and 63 mm long, with ten burn wires embedded at different positions in the sample. Burning on the cylindrical surface is inhibited with an epoxy layer. With this direct measurement we do not have to account for product gas equation of state or heat losses in the system, and the burn wires allow detection of irregular burning. We find that formulation details are very important to overall deflagration behavior - the presence of 10% or less by weight of binder leads to physical deconsolidation and rapid deflagration at high pressures, and a larger particle size distribution leads to slower deflagration. High temperatures have a relatively minor effect on the deflagration rate until the beta-to-delta phase transition temperature is reached, beyond which the deflagration rate increases approximately 40-fold.

  4. Observation of sub-detonative responses in confined high density HMX-based PBXs

    NASA Astrophysics Data System (ADS)

    Cumming, Andrew; Wood, Andrew; Steward, Paul; Ottley, Philip; Gould, Peter; Lewtas, Ian

    2015-06-01

    This paper describes experiments and modelling aimed at understanding the behaviour of highly loaded (90%-95%) pressed HMX-based PBXs, when subjected to shock compression and ignition by means of distinct mechanical and thermal insults under confinement. In order to separate the role of the stimuli, a test has been designed where a metal impactor is propelled at test samples using a well characterised propellant over a range of velocities to produce various levels of mechanical damage. The impactor is then heated using a characterised pyrotechnic composition which ignites the mechanically damaged explosive. Tubes have been designed to examine the effect of confinement at burst pressures of 218.5MPa and 120MPa. The high confinement tubes employ polycarbonate windows and the low confinement tubes are manufactured from polycarbonate blocks to allow the reaction of the energetic material to be captured using high-speed video. Tests carried out using these tubes have given a good insight into the processes occurring. Modelling runs have predicted an oscillating compressive wave in the explosive and considerable damage at either end of the explosive column. The latter leads to potential deconsolidation once the donor charge has burnt out allowing increased burning and violence.

  5. Observation of sub-detonation response in confined high density HMX based PBXs

    NASA Astrophysics Data System (ADS)

    Cook, M. D.; Wood, A. D.; Ottley, P. R.; Cheese, P. J.

    2014-05-01

    This paper describes experiments and modelling aimed at understanding the behaviour of highly loaded (90%-95%) pressed HMX-based PBX compositions, when subjected to shock compression and ignition, by means of a propellant donor charge, under confinement. Such tests are routinely carried out in the UK on new formulations to determine their burn to violent reaction characteristics. The Bullseye propellant donor charge has been characterised in terms of pressure and temperature output. A range of tubes have been designed to examine the contribution of tube material properties (steel versus aluminium, 218.5 MPa) and to examine the effect of reduced confinement (120 MPa). For the reduced confinement scenario polycarbonate as well as steel and aluminium vessels have been designed which allow the reaction of the energetic material to be captured using a Phantom high-speed camera. In particular, tests carried out in the polycarbonate tubes have given a good insight of the processes occurring. Preliminary hydrocode modelling runs predicted an oscillating compressive wave in the explosive and considerable damage at either end of the explosive column. The latter leads to potential deconsolidation once the donor charge has burnt out allowing increased burning and violence.

  6. Detonation wave profiles in HMX based explosives

    SciTech Connect

    Gustavsen, R.L.; Sheffield, S.A.; Alcon, R.R.

    1997-11-01

    Detonation wave profiles have been measured in several HMX based plastic bonded explosives including PBX9404, PBX9501, and EDC-37, as well as two HMX powders (coarse and fine) pressed to 65% of crystal density. The powders had 120 and 10 {micro}m average grain sizes, respectively. Planar detonations were produced by impacting the explosive with projectiles launched in a 72-mm bore gas gun. Impactors, impact velocity, and explosive thickness were chosen so that the run distance to detonation was always less than half the explosive thickness. For the high density plastic bonded explosives, particle velocity wave profiles were measured at an explosive/window interface using two VISAR interferometers. PMMA windows with vapor deposited aluminum mirrors were used for all experiments. Wave profiles for the powdered explosives were measured using magnetic particle velocity gauges. Estimates of the reaction zone parameters were obtained from the profiles using Hugoniots of the explosive and window.

  7. The Combustion of HMX. [burning rate at high pressures

    NASA Technical Reports Server (NTRS)

    Boggs, T. L.; Price, C. F.; Atwood, A. I.; Zurn, D. E.; Eisel, J. L.

    1980-01-01

    The burn rate of HMX was measured at high pressures (p more than 1000 psi). The self deflagration rate of HMX was determined from 1 atmosphere to 50,000 psi. The burning rate shows no significant slope breaks.

  8. Shock-to-detonation transition of RDX, HMX and NTO based composite high explosives: experiments and modelling

    NASA Astrophysics Data System (ADS)

    Baudin, G.; Roudot, M.; Genetier, M.; Mateille, P.; Lefrançois, A.

    2014-05-01

    HMX, RDX and NTO based cast-cured plastic bounded explosive (PBX) are widely used in insensitive ammunitions. Designing modern warheads needs robust and reliable models to compute shock ignition and detonation propagation inside PBX. Comparing to a pressed PBX, a cast-cured PBX is not porous and the hot-spots are mainly located at the grain-binder interface leading to a different burning behavior during shock-to-detonation transition. Here, we review the shock-to-detonation transition (SDT) and its modeling for cast-cured PBX containing HMX, RDX and NTO. Future direction is given in conclusion.

  9. Pressure Wave Measurements During Thermal Explosion of HMX-Based High Explosives

    SciTech Connect

    Forbes, J W; Garcia, F; Tarver, C M; Urtiew, P A; Greenwood, D W; Vandersall, K S

    2002-06-27

    Five different experiments on thermal heating of explosive materials have been performed. Three experiments thermally exploded PBX 9501 (HMX/Estane/BDNPA-F; 9512.512.5 wt %) donor charges while two others thermally exploded LX-04 (HMX/Viton A; 85/15 wt %). These donor charges were encased in 304 stainless steel. The transmitted two-dimensional pressure waves were measured by gauges in acceptor cylinders of Teflon, PBX 9501, or LX-04 that were in contact with the donors' steel case. A fifth experiment measured the pressure in an acceptor charge of PBX 9501 that had a 100 mm stand-off from the top of the steel case of the thermally cooked off PBX 9501 donor charge. Reactive flow hydrodynamic modeling using a rapid deflagration velocity of approximately 500 m/s was able to reproduce the pressure gauge records for both the in contact and stand off experiments that used PBX 9501 donors and acceptors.

  10. A Comparison of Thermal Explosions in HMX Based Formulations

    NASA Astrophysics Data System (ADS)

    Smilowitz, Laura; Henson, Bryan; Asay, Blaine; Romero, Jerry

    2009-06-01

    Radial thermal explosion experiments have been run using different HMX based formulations. The reaction violence of the different HMX based formulations under identical boundary conditions varies dramatically. In this talk, PBX 9501 and PBX N9 deflagrations will be compared. Diagnostics include proton radiography, case strain, burn front velocities, wall velocities, and post shot case fragments. The difference in reaction violence will be explored in the framework of our current understanding of burn mechanism.

  11. Deflagration to detonation in HMX under high confinement. [HMX confined in steel tubes

    SciTech Connect

    McAfee, J.M.; Campbell, A.W.; Asay, B.W.

    1987-01-01

    The deflagration-to-detonation behavior of HMX confined in steel tubes was studied by means of x radiography, light emission, and various pin techniques. Unlike most reported experiments, the HMX bed was ignited by driving a piston (initially at rest and in contact with the HMX) into the bed with the pressure generated from burning, low-density HMX on the opposite side of the piston. Because a gasless igniter is used to start the burning of the low-density HMX, the piston has a relatively smooth initial motion. Analysis of the data from these experiments gives a rather detailed picture of the DDT process under these conditions. 2 refs., 19 figs.

  12. THERMAL COOK-OFF EXPERIMENTS OF THE HMX BASED HIGH EXPLOSIVE LX-04 TO CHARACTERIZE VIOLENCE WITH VARYING CONFINEMENT

    SciTech Connect

    Garcia, F; Vandersall, K S; Forbes, J W; Tarver, C M; Greenwood, D

    2005-07-25

    Thermal cook-off experiments were carried out using LX-04 explosive (85% HMX and 15% Viton by weight) with different levels of confinement to characterize the effect of confinement on the reaction violence. These experiments involved heating a porous LX-04 sample in a stainless steel container with varying container end plate thickness and assembly bolt diameter to control overall confinement. As expected, detonation did not occur and reducing the overall confinement lowered the reaction violence. This is consistent with modeling results that predict that a lower confinement will act to lower the cook-off pressure and thus the overall burn rate which lowers the overall violence. These results suggest that controlling the overall system confinement can modify the relative safety in a given scenario.

  13. Thermal Cook-Off Experiments of the HMX Based High Explosive LX-04 to Characterize Violence with Varying Confinement

    NASA Astrophysics Data System (ADS)

    Garcia, Frank; Forbes, Jerry W.

    2005-07-01

    Thermal cook-off experiments were carried out using LX-04 explosive (85% HMX and 15% Viton by weight) with different levels of confinement to characterize the effect of confinement on the reaction violence. These experiments involved heating a porous LX-04 sample in a stainless steel container with varying container end plate thickness and assembly bolt diameter to control overall confinement. As expected, detonation did not occur and reducing the overall confinement lowered the reaction violence. Modeling was also performed using Ignition and Growth kinetics with reasonable agreement to the experiment. These results suggest that controlling the overall system confinement can modify the relative safety in a given scenario. This work was performed under the auspices of the U. S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48.

  14. Thermal Cook-Off Experiments of the HMX Based High Explosive LX-04 to Characterize Violence with Varying Confinement

    NASA Astrophysics Data System (ADS)

    Garcia, Frank; Vandersall, Kevin S.; Forbes, Jerry W.; Tarver, Craig M.; Greenwood, Daniel

    2006-07-01

    Thermal cook-off experiments were carried out using LX-04 explosive (85% HMX and 15% Viton by weight) with different levels of confinement to characterize the effect of confinement on the reaction violence. These experiments involved heating a porous LX-04 sample in a stainless steel container with varying container end plate thickness and assembly bolt diameter to control overall confinement. As expected, detonation did not occur and reducing the overall confinement lowered the reaction violence. This is consistent with modeling results that predict that a lower confinement will act to lower the cook-off pressure and thus the overall burn rate which lowers the overall violence. These results suggest that controlling the overall system confinement can modify the relative safety in a given scenario.

  15. Pressure Wave Measurements Resulting from Thermal Cook-Off of the HMX Based High Explosive LX-04

    SciTech Connect

    Garcia, F; Vandersall, K S; Forbes, J W; Tarver, C M; Greenwood, D

    2003-07-11

    Experiments that investigate thermal and nearby explosion scenarios are needed to provide essential data to models for accurate predictions. A porous LX-04 (85/15 wt% HMX/Viton) sample was heated in a heavily confined donor charge until it thermally exploded. The reaction accelerated a steel cover plate across a 10 cm gap into a preheated gauged acceptor cylinder (near its theoretical maximum density) of LX-04. The carbon resistor gauges in the acceptor measured the resulting multi-dimensional ramp wave as it propagated through the pre-heated LX-04. Detonation of the LX-04 acceptor does not occur. Results are compared to similar experiments with acceptors at room temperature.

  16. MESOSCALE MODELLING OF SHOCK INITIATION IN HMX-BASED EXPLOSIVES

    SciTech Connect

    Mulford, R. N. R.; Swift, D. C.

    2001-01-01

    Hydrocode calculations we used to simulate initiation in single- and double-shock experiments on several HMX-based explosives. Variations in the reactive behavior of theee materials reflects the differences between binders in the material, providing information regarding the sensitivity of the explosive to the mechanical properties of the constituents. Materials considered are EDC-37, with a soft binder, PBX-9601, with a relatively malleable binder, and PIBX-9404, with a stiff binder. Bulk reactive behavior of these materials is dominated by the HMX component and should be comparable, while the mechanical response varies. The reactive flow model is temperature-dependent, based on a modified Arrhenius rate. Some unreacted material is allowed to react at a rate given by the state of the hotspot rather than the bulk state of the unreacted explosive, according to a length scale reflecting the hotspot size, and a time scale for thermal equilibration. The Arrhenius rate for HMX is wsumed to be the same for all compositions. The initiation data for different HMX-bwd explosives axe modelled by choosing plausible parameters to describe the reactive and dissipative properties of the binder, and hence the behavior of the hotspots in each formulation.

  17. The role and importance of porosity in the deflagration rates of HMX-based materials

    SciTech Connect

    Glascoe, E A; Hsu, P C; Springer, H K

    2011-03-15

    The deflagration behavior of thermally damaged HMX-based materials will be discussed. Strands of material were burned at pressures ranging from 10-300 MPa using the LLNL high pressure strand burner. Strands were heated in-situ and burned while still hot; temperatures range from 90-200 C and were chosen in order to allow for thermal damage of the material without significant decomposition of the HMX. The results indicate that multiple variables affect the burn rate but the most important are the polymorph of HMX and the nature and thermal stability of the non-HE portion of the material. Characterization of the strands indicate that the thermal soak produces significant porosity and permeability in the sample allowing for significantly faster burning due to the increased surface area and new pathways for flame spread into the material. Specifically, the deflagration rates of heated PBXN-9, LX-10, and PBX-9501 will be discussed and compared.

  18. Dielectric characterization and microwave interferometry in HMX-based explosives

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Kane, R. J.; Lorenz, K. T.; Baluyot, E. V.; Vandersall, K. S.

    2014-05-01

    Microwave interferometry is a useful technique for understanding the development and propagation of detonation waves. The velocity of the front can be determined directly with the dielectric constant of the explosive and the instantaneous phase difference of the reflected microwave signal from the detonation front. However, the dielectric constant of HMX-based explosives has been measured only over a small range of wavelengths. Here we employ an open-ended coaxial probe to determine the complex dielectric constant for LX-10 and other HMX-based explosives over the 5-20 GHz range. The propagation of a detonation wave in a lightly-confined cylindrical charge geometry is described where the microwave-reflective properties of the detonation front are characterized with a waveguide. For comparison, piezoelectric pins were used to measure the detonation velocity and indirectly estimate the dielectric constant of LX-10 at 26.5 GHz. Future work in this area will also be discussed.

  19. The Role of Binder in Deflagrating HMX-based Explosives

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Levie, H. W.; Glascoe, E. A.; Greenwood, D. W.; de Haven, M. R.; Molitoris, J. D.; Springer, H. K.

    2011-06-01

    Deflagration rates are known to be a strong function of temperature and pressure, but chemical reactions facilitated by the explosive's binder can also play an important role. Here we report a study of two HMX-based formulations, PBX-9501 (HMX 95%, estane 2.5%, bdnpa 1.25%, and bdnpf 1.25%) and LX-10 (HMX 95%, Viton-A 5%), which we use to investigate the origins of violence in thermal explosions. We employ flash x-ray radiography to directly image the rates at which reaction fronts proceed in a confined vessel. Photonic Doppler velocimetry (PDV) characterizes the vessel wall motion as a function of time. Our results show that thermal explosions of PBX-9501, with its more reactive binder, are more violent than explosions of LX-10. In LX-10, we observe quenched deflagration and limited violence. In PBX-9501, however, a higher deflagration rate is developed and sustained even after vessel rupture. Thermal explosions of initially-confined PBX-9501 therefore are more complete and significantly more violent. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  20. SHOCK INITIATION EXPERIMENTS ON THE HMX BASED EXPLOSIVE LX-10 WITH ASSOCIATED IGNITION AND GROWTH MODELING

    SciTech Connect

    Vandersall, K S; Tarver, C M; Garcia, F; Urtiew, P A; Chidester, S K

    2007-06-15

    Shock initiation experiments on the HMX based explosives LX-10 (95% HMX, 5% Viton by weight) and LX-07 (90% HMX, 10% Viton by weight) were performed to obtain in-situ pressure gauge data, run-distance-to-detonation thresholds, and Ignition and Growth modeling parameters. A 101 mm diameter propellant driven gas gun was utilized to initiate the explosive samples with manganin piezoresistive pressure gauge packages placed between sample slices. The run-distance-to-detonation points on the Pop-plot for these experiments and prior experiments on another HMX based explosive LX LX-04 (85% HMX, 15% Viton by weight) will be shown, discussed, and compared as a function of the binder content. This parameter set will provide additional information to ensure accurate code predictions for safety scenarios involving HMX explosives with different percent binder content additions.

  1. Elucidation of high sensitivity of δ-HMX: New insight from the first principle simulations

    NASA Astrophysics Data System (ADS)

    Kuklja, Maija; Sharia, Onise; Tsyshevsky, Roman

    2015-06-01

    Understanding of a tremendous difference in sensitivities of β and δ phases of cyclotetramethylene-tetranitramine (HMX) has been long one of the stubborn challenges in the field of high energy density materials. Despite many experimental and theoretical efforts to explain the high sensitivity of the δ phase, convincing reasons behind the HMX behavior remained puzzling. We established that the presence of a polar surface in δ-HMX has fundamental implications for stability and overall chemical behavior of the material. A comparative state-of-the-art quantum-chemical analysis of major decomposition mechanisms in polar δ-HMX and nonpolar β-HMX discovered a dramatic difference in dominating dissociation reactions, activation barriers, and reaction rates. The polarization-induced charge transfer offered a logical explanation for different sensitivity of β-HMX and δ-HMX polymorphs to detonation initiation. Our conclusions also removed long-standing contradictions and explained a large range of experimental data on thermal decomposition of HMX.

  2. Ruminal bioremediation of the high energy melting explosive (HMX) by sheep microorganisms.

    PubMed

    Eaton, Hillary L; Murty, Lia D; Duringer, Jennifer M; Craig, A Morrie

    2014-01-01

    The ability of ruminal microorganisms to degrade octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (high melting explosive, HMX) as consortia from whole rumen fluid (WRF), and individually as 23 commercially available ruminal strains, was compared under anaerobic conditions. Compound degradation was monitored by high-performance liquid chromatography, followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) for delineation of the metabolic pathway. In WRF, 30 μM HMX was degraded to 5 μM HMX within 24 h. Metabolites consistent with m/z 149, 193 and 229 were present throughout the incubation period. We propose that peaks with an m/z of 149 and 193 are arrived at through reduction of HMX to nitroso or hydroxylamino intermediates, then direct enzymatic ring cleavage to produce these HMX derivatives. Possible structures of m/z 229 are still being investigated and require further LC-MS/MS analysis. None of the 23 ruminal strains tested were able to degrade HMX as a pure culture when grown in either a low carbon or low nitrogen basal medium over 120 h. We conclude that microorganisms from the rumen, while sometimes capable as individuals in the bioremediation of other explosives, excel as a community in the case of HMX breakdown.

  3. Effect of Viscoplasticity on Ignition Sensitivity of an HMX-Based PBX

    NASA Astrophysics Data System (ADS)

    Hardin, D. Barrett; Zhou, Min

    2015-06-01

    The effect of viscoplastic deformation of the energetic component (HMX) on the mechanical, thermal, and ignition responses of a two-phase (HMX and Estane) PBX is analyzed. PBX microstructures are subjected to impact loading from a constant velocity piston traveling at a rate of 50 to 200 m/s. The analysis uses a 2D cohesive finite element framework. The focus of is to evaluate the relative ignition sensitivity of the materials to determine the effect of the viscoplasticity of HMX on the responses. To delineate this effect, two sets of calculations are carried out, one set assumes the HMX grains are fully hyperelastic and the other set assumes the HMX grains are elastic-viscoplastic. Results show that PBX specimens with elastic-viscoplastic HMX grains experience lower average and peak temperature rises, and as a result, show lower numbers of hotspots. An ignition criterion based on a criticality threshold obtained from chemical kinetics is used to quantify the ignition behavior of the materials. The criterion focuses on hotspot size and temperature to determine if a hotspot will undergo thermal runaway. It is found that the viscoplasticity of HMX increases the minimum load duration, mean load duration, threshold loading velocity, and total input energy required for ignition.

  4. A global HMX decomposition model

    SciTech Connect

    Hobbs, M.L.

    1996-12-01

    HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) decomposes by competing reaction pathways to form various condensed and gas-phase intermediate and final products. Gas formation is related to the development of nonuniform porosity and high specific surface areas prior to ignition in cookoff events. Such thermal damage enhances shock sensitivity and favors self-supported accelerated burning. The extent of HMX decomposition in highly confined cookoff experiments remains a major unsolved experimental and modeling problem. The present work is directed at determination of global HMX kinetics useful for predicting the elapsed time to thermal runaway (ignition) and the extent of decomposition at ignition. Kinetic rate constants for a six step engineering based global mechanism were obtained using gas formation rates measured by Behrens at Sandia National Laboratories with his Simultaneous Modulated Beam Mass Spectrometer (STMBMS) experimental apparatus. The six step global mechanism includes competition between light gas (H[sub 2]Awe, HCN, CO, H[sub 2]CO, NO, N[sub 2]Awe) and heavy gas (C[sub 2]H[sub 6]N[sub 2]Awe and C[sub 4]H[sub 10]N0[sub 2]) formation with zero order sublimation of HMX and the mononitroso analog of HMX (mn-HMX), C[sub 4]H[sub 8]N[sub 8]Awe[sub 7]. The global mechanism was applied to the highly confined, One Dimensional Time to eXplosion (ODTX) experiment and hot cell experiments by suppressing the sublimation of HMX and mn-HMX. An additional gas-phase reaction was also included to account for the gas-phase reaction of N[sub 2]Awe with H[sub 2]CO. Predictions compare adequately to the STMBMS data, ODTX data, and hot cell data. Deficiencies in the model and future directions are discussed.

  5. The new simultaneous PVDF/VISAR measurement technique: Applications to highly porous HMX

    SciTech Connect

    Anderson, M.U.; Graham, R.A.

    1995-12-31

    Time-resolved pressure and particle velocity measurements provide the foundation for modem descriptions of rate-dependent materials deformation processes in condensed matter subjected to high pressure shock loading. Much of that foundation has been based on the VISAR, nanosecond time-resolved particle velocity technique. It has been known for sometime that full description of the rate-dependent processes requires both particle velocity and stress data, but stress sensors with nanosecond resolution have not been previously available for general usage. More recently, the piezoelectric polymer PVDF has been used for stress and stress-rate measurements in rate dependent materials response experiments. Neither method, by itself, gives unique material response models, particularly in the case of highly porous materials. The first simultaneous, time-resolved measurements with VISAR and PVDF have now been carried out. Measurements were taken on highly porous HMX that clearly show the two-dimensional nature of HMX viscous compression behavior, followed by the onset of chemical reaction. This technique promises to provide a qualitative improvement in our ability to develop rate-dependent material descriptions of all solids including highly porous solids. Precise use of this technique will require new window materials.

  6. Experimental and numerical study of deformation modes of a pressed HMX-based explosive composition

    NASA Astrophysics Data System (ADS)

    Picart, Didier; Vial, Jerome; Bailly, Patrice

    Safety of industrial or military explosives is still studied to prevent inadvertent ignition of pressed HMX-based explosive compositions submitted to a low-velocity impact. Our aim is to determine the dissipative mechanisms leading to the local heating of the material. To observe the dissipative mechanisms, a reversed edge-on impact test has been developed. This test enables real-time observations of the microstructural scale. No friction is observed between the biggest HMX grains and the matrix (the smallest grains, the binder and the porosity). Plasticity of HMX grains is obtained as well as damage by micro-cracking. Meanwhile, a biphasic numerical representation (HMX grains and matrix) is used to mimic our material. A comparison between experimental observations and simulations is used to determine the yield stress of HMX. The behavior of the matrix has been determined to account for the effect of strain rate and damage. Lastly, a comparison between tests and simulations has highlighted (1) that heating should rather be located in the matrix than in the biggest HMX grains and (2) that the most likely heating mechanism is the friction of micro(or meso)-cracks lips.

  7. Reaction of Shocked but Undetonated HMX-Based Explosive

    NASA Astrophysics Data System (ADS)

    Taylor, P.; Salisbury, D. A.; Markland, L. S.; Winter, R. E.

    2001-06-01

    Cylindrical samples of the pressed plastic bonded HMX-based explosive EDC37, backed by metal discs, were shocked through a stainless steel attenuator by an explosive donor. Reaction of the EDC37 sample was diagnosed with embedded PVDF pressure gauges and a run distance to detonation for the geometry was determined. Sample length was then reduced to less than the observed run distance and laser interferometry was used to record the free surface velocity of the metal backing disc. The results provide data on the metal driving energy liberated by the explosive which is shocked and reacting but not detonated. The results are compared with Eulerian hydrocode calculations incorporating the three term Lee and Tarver reaction model with desensitisation. It is found that a parameter set for the reaction model which replicates the PVDF pressure profiles before reflection also gives good agreement to the metal disc velocity history at early times. The results show that an appreciable fraction of the metal driving potential of an explosive can be released without detonation being established.

  8. First Results of Reaction Propagation Rates in HMX at High Pressure

    SciTech Connect

    Farber, D L; Esposito, A; Zaug, J M; Aracne-Ruddle, C

    2001-06-15

    The authors have measured the reaction propagation rate (RPR) in weapons-grade, ultrafine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) powder in a diamond anvil cell over the pressure range 0.7-35 GPa. In order to have a cross-comparison of their experiments, they carried out a series of experiments on nitromethane (NM) up to 15 GPa. The results on NM are indistinguishable from previous measurements of Rice and Folz. In comparison to high-pressure NM, the burn process for solid HMX is between 5-10 times faster at pressures above 10 GPa.

  9. First Results of Reaction Propagation Rates in HMX at High Pressure

    SciTech Connect

    Farber, D L; Esposito, A; Zaug, J M; Aracne-Ruddle, C

    2001-06-15

    The authors have measured the reaction propagation rate (RPR) in weapons-grade, ultrafine octahydro-1,3,57-tetranitro-1,3,5,7-tetrazocine (HMX) powder in a diamond anvil cell over the pressure range 0.7-35 GPa. In order to have a cross-comparison of their experiments, they carried out a series of experiments on nitromethane (NM) up to 15 GPa. The results on NM are indistinguishable from previous measurements of Rice and Folz. In comparison to high-pressure, NM, the burn process for solid HMX is not spatially uniform.

  10. Ignition of Hmx-Based PBX Submitted to Impact: Strain Localization and Boundary Conditions

    NASA Astrophysics Data System (ADS)

    Picart, D.; Delmaire-Sizes, F.; Gruau, C.; Trumel, H.

    2009-12-01

    HMX-based high explosive devices may unintentionally ignite and transit to deflagration or detonation during mechanical loadings such as low velocity impact. We focus our attention to ignition. The Browning and Scammon criterion is used in this study. A concrete like constitutive law is derived, with an up-to-date experimental characterization. These models have been implemented in the Abaqus/Explicit finite element code. Numerical simulations are compared to go/no go impact experiments in order to calibrate the threshold. This paper is about the influence of two major assumptions: (1) the behavior at finite strains and (2) the boundary conditions. This paper shows that ignition threshold evolves significantly due to these assumptions, leading to erroneous predictions.

  11. Determination of sound velocities of "overcompressed" detonation in HMX-based explosive

    NASA Astrophysics Data System (ADS)

    Zhernokletov, Mikhail V.; Kovalev, Alexey E.; Bel'sky, Vladimir M.; Bogdanov, Evgeny N.

    2015-09-01

    The authors present results of determination of sound velocities in explosion products (EP) of HMX-based explosive overcompressed up to the pressures of 50-85 GPa by overtaking unloading method. The radiowave and optical methods are used to record the time when a front of overcompressed detonation wave in investigated sample of high explosive (HE) is overtaken by expansion wave, which propagates from the back surface of impactor with sound velocity. The data on sound velocities, which were independently obtained by two different methods, were in agreement. The methods with use of radiointerferometer and indicator liquid are rather effective for determination of sound velocities in overcompresed EP and for investigation of parameters at the Jouget point of various HEs, which are required for calibration of their equations of state (EOS).

  12. Thermal explosion violence of HMX-based explosives -- effect of composition, confinement and phase transition using the scaled thermal explosion experiment

    SciTech Connect

    Maienschein, J L; Wardell, J F; Reaugh, J E

    2000-10-25

    We developed the Scaled Thermal Explosion Experiment (STEX) to provide a database of reaction violence from thermal explosion of explosives of interest. A cylinder of explosive, 1, 2 or 4 inches in diameter, is confined in a steel cylinder with heavy end caps, and heated under controlled conditions until it explodes. Reaction violence is quantified by micropower radar measurement of the cylinder wall velocity, and by strain gauge data at reaction onset. Here we describe the test concept and design, show that the conditions are well understood, and present initial data with HMX-based explosives. The HMX results show that an explosive with high binder content yields less-violent reactions that an explosive with low binder content, and that the HMX phase at the time of explosion plays a key role in reaction violence.

  13. Toward a Role of Light Absorption in Initiation Chemistry of Shocked HMX single Crystals and Crystalline High Explosives

    NASA Astrophysics Data System (ADS)

    Plaksin, Igor; Rodrigues, L.

    2013-06-01

    Question which mechanism is driving radiation-induced reactions, thermal or athermal becomes a subject of conflicting discussions. Major challenge of this work is to identify at micro- (sub-granular), meso- (grain level) and macro-scale roles of these two mechanisms in triggering initiation chemistry in HMX-based HEs. Four acceptor-patterns were tested at 20 GPa input pressure: single HMX crystal-in-water, HMX/water-slurry, PBX(HMX/HTPB) & inert PBX-simulant (HMX-particles replaced by crystalline sucrose). Scenario of reaction onset-localizations-dissipation was spatially resolved using Multi-Channel Optical Analyzer MCOA-UC (96 channels, 100um-spatial accuracy, 0.2ns-timeresolution, 450-850 nm-spectral range) through real-time panoramic recording emitted reaction light and shock field in standard optic monitor. Experiments reveal a dual nature of initiation chemistry: athermal and thermal. Single-crystal tests disclose origination of photo-induced reactions downstream of emitting reaction spot due to intensified radiation absorption in surface micro-defects. Polycrystalline samples reveal cyclic reproducibility of radiation-induced thermal precursors in which radiation absorption causes thermal expansion/phase-changes of HMX-grains resulting in oscillating detonation. Work was supported by the Office of Naval Research under the ONR and ONR Global Grants N00014-12-1-0477 and N62909-12-1-7131 with Drs. Cliff Bedford and Shawn Thorne Program Managers.

  14. Shock wave and detonation wave response of selected HMX based research explosives with HTPB binder systems

    NASA Astrophysics Data System (ADS)

    Sutherland, G. T.; Lemar, E. R.; Forbes, J. W.; Anderson, E.; Miller, P.; Ashwell, K. D.; Baker, R. N.; Liddiard, T. P.

    1994-07-01

    The sensitivity, detonation properties, and performance of selected HMX based explosives are compared. All explosives were manufactured using a hydroxyl-terminated polybutadiene (HTPB) binder system. IRX class explosives were manufactured to obtain explosives in which ingredients were systematically varied. The particle size range of the HMX particles was controlled by sieving. Sensitivity and performance experiments were conducted using the explosives IRX-1, and IRX-3A. These experiments measured: detonation pressure, detonation velocity, modified gap test shock sensitivity, and detonation wave curvature. Modified gap tests were also performed for SW-21 and PBXN-110. In addition, light gas gun experiments were performed in which reactive stress-time profiles were obtained for IRX-1 and PBXN-110.

  15. Elastic properties of HMX.

    SciTech Connect

    Sewell, T. D.; Bedrov, D.; Menikoff, Ralph; Smith, G. D.

    2001-01-01

    Atomistic molecular dynamics simulations have been used to calculate isothermal elastic properties for {beta}-, {alpha}-, and {delta}-HMX. The complete elastic tensor for each polymorph was determined at room temperature and pressure via analysis of microscopic strain fluctuations using formalism due to Rahman and Parrinello [J. Chem. Phys. 76,2662 (1982)]. Additionally, the isothermal compression curve was computed for {beta}-HMX for 0 {le} p {le} 10.6 GPa; the bulk modulus K and its pressure derivative K{prime} were obtained from two fitting forms employed previously in experimental studies of the {beta}-HMX equation of state. Overall, the results indicate good agreement between the bulk modulus predicted from the measured and calculated compression curves. The bulk modulus determined directly from the elastic tensor of {beta}-HMX is in significant disagreement with the compression curve-based results. The explanation for this discrepancy is an area of current research.

  16. Pilot-scale base hydrolysis processing of HMX-based plastic-bonded explosives

    SciTech Connect

    Flesner, R.L.; Dell`orco, P.C.; Spontarelli, T.; Bishop, R.L.; Skidmore, C.; Uher, K.J.; Kramer, J.F.

    1996-07-01

    Los Alamos National Laboratory has demonstrated that many energetic materials can be rendered non-energetic via reaction with sodium hydroxide or ammonia. This process is known as base hydrolysis. A pilot scale reactor has been developed to process up to 20 kg of plastic bonded explosive in a single batch operation. In this report, we discuss the design and operation of the pilot scale reactor for the processing of PBX 9404, a standard Department of Energy plastic bonded explosive containing HMX and nitrocellulose. Products from base hydrolysis, although non-energetic, still require additional processing before release to the environment Decomposition products, destruction efficiencies, and rates of reaction for base hydrolysis will be presented. Hydrothermal processing, previously known as supercritical water oxidation, has been proposed for converting organic products from hydrolysis to carbon dioxide, nitrogen, and nitrous oxide. Base hydrolysis in combination with hydrothermal processing may yield a viable alternative to open burning/open detonation for destruction of many energetic materials.

  17. Pilot-scale base hydrolysis processing of HMX-based plastic-bonded explosives

    SciTech Connect

    Flesner, R.L.; Dell`Orco, P.C.; Spontarelli, T.; Bishop, R.L.; Skidmore, C.B.; Uher, K.; Kramer, J.F.

    1997-10-01

    Los Alamos National Laboratory has demonstrated that many energetic materials can be rendered non-energetic via reaction with sodium hydroxide or ammonia. This process is known as base hydrolysis. A pilot scale reactor has been developed to process up to 20 kg of plastic bonded explosive in a single batch operation. In this report, we discuss the design and operation of the pilot scale reactor for the processing of PBX 9404, a standard Department of Energy plastic bonded explosive containing HMX and nitrocellulose. Products from base hydrolysis, although non-energetic, still require additional processing before release to the environment. Decomposition products, destruction efficiencies, and rates of reaction for base hydrolysis will be presented. Hydrothermal processing, previously known as supercritical water oxidation, has been proposed for converting organic products from hydrolysis to carbon dioxide, nitrogen, and nitrous oxide. Base hydrolysis in combination with hydrothermal processing may yield a viable alternative to open burning/open detonation for destruction of many energetic materials.

  18. Violent cookoff reactions in HMX-based explosives in DDT tubes: Tracking luminous waves with streak imaging

    NASA Astrophysics Data System (ADS)

    Parker, Gary; Dickson, Peter; Asay, Blaine W.; Smilowitz, Laura; Henson, Bryan; McAfee, John

    2012-03-01

    Recent implementation of modern high-speed video cameras has permitted the experimental flexibility needed to revisit classic deflagration-to-detonation (DDT) tube experiments and capture novel and valuable results displaying the progression of luminous reaction from a cookoff event. The authors present select data from a series of experiments where the HMX-based high explosives PBX 9501 and LX-07 were heated above 180°C for various durations to impose damage (i.e. phase transitions and void generation) before being driven to cook off. These two explosives have different polymeric binders, HMX mass fractions and cook off responses and a comparison between the two offers mechanistic insights on how thermal explosions evolve. From this series, results will be displayed indicating a wide range of violence from somewhat mild pressure bursts, to intermediate power compressive burns, to high-violence DDT. Image data from high temperature DDT tube experiments, where the explosive was ignited on one end, were also collected and will be included for comparison.

  19. Violent cookoff reactions in HMX-based explosives in DDT tubes: tracking luminous waves with streak imaging

    NASA Astrophysics Data System (ADS)

    Parker, Gary; Dickson, Peter; Asay, Blaine; Smilowitz, Laura; Henson, Bryan; McAfee, John

    2011-06-01

    The authors present data from a series of high-temperature deflagration-to-detonation (DDT) tube experiments where the HMX-based high explosives PBX 9501 and LX-07 were heated above 180oC for various durations to impose damage (i.e. phase transitions and void generation) before being driven to cook off. These explosives have different polymeric binders, HMX mass fractions and cookoff responses and a comparison between the two offers revealing mechanistic insights on how thermal explosions evolve. From this series, results will be displayed indicating a wide range of violence from somewhat mild pressure bursts, to intermediate-power compressive burns, to high-violence DDT. Image data from high temperature DDT tube experiments, where the explosive was ignited on one end, were also collected and will be included for comparison. Analysis of the end-ignited streak images reveals characteristics that support established theories invoking a variety of burn modes in porous beds. Interestingly, from the cookoff experiments, the mechanism for build-up to DDT appears truncated. This analysis and its potential implications for modeling cookoff will be presented.

  20. Dissolution rates of three high explosive compounds: TNT, RDX, and HMX.

    PubMed

    Lynch, Jason C; Brannon, James M; Delfino, Joseph J

    2002-05-01

    Incidental exposure to high explosive compounds can cause subtle health effects to which a population could be more susceptible than injury by detonation. Proper source characterization is a key requirement in the conduct of risk assessments. For nonvolatile solid explosives, dissolution is one of the primary mechanisms that controls fate and transport, resulting in exposure to these compounds remote from their source. To date, information describing dissolution rates of high explosives has been sparse. The objective of this study was to determine the dissolution rates of three high explosive compounds, 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), in dilute aqueous solutions as a function of temperature, surface area, and energy input. To determine each variable's impact on dissolution rate, experiments were performed where one variable was changed while the other two were held constant. TNT demonstrated the fastest dissolution rate followed by HMX and then RDX. Dissolution rate correlation equations were developed for each explosive compound incorporating the three aforementioned variables, independently, and collectively in one correlation equation.

  1. One-dimensional plate impact experiments on the cyclotetramethylene tetranitramine (HMX) based explosive EDC32

    NASA Astrophysics Data System (ADS)

    Burns, Malcolm J.; Gustavsen, Richard L.; Bartram, Brian D.

    2012-09-01

    Eight one-dimensional plate impact experiments have been performed to study both the Shock to Detonation Transition and Hugoniot state in the cyclotetramethylene tetranitramine (HMX) based explosive EDC32. The experiments covered shock pressures ranging from 0.59 to 7.5 GPa with sustained shocks, double shocks, and short pulse shocks. Experiments were instrumented with embedded magnetic particle velocity gauges. Results include; (1) wave profiles of particle velocity vs. time vs. depth in the explosive, (2) time-distance coordinates for onset of detonation vs. initial shock pressure (aka the Pop-plot), (3) a reactants Hugoniot, and (4) measurement of the Hugoniot Elastic Limit of 0.22.GPa.

  2. Shock Induced Shear Strength in Two HMX Based Polymer Bonded Explosives

    NASA Astrophysics Data System (ADS)

    Millett, Jeremy; Taylor, Peter; Appleby-Thomas, Gareth

    2015-06-01

    The response of energetic materials to shock loading has largely concentrated on their detonation behaviour. However, they can also be considered to be structural materials in their own right, and hence their response to a purely mechanical shock loading is also of interest. Therefore we present results from two HMX based polymer bonded explosives, EDC37 and EDC32, where we investigate the shock induced shear strength behind the shock front. Results are discussed in terms of microstructure and differences of the binder phases.

  3. Mesoscale modelling of shock initiation in HMX-based explosives

    SciTech Connect

    Swift, D. C.; Mulford, R. N. R.; Winter, R. E.; Taylor, P.; Salisbury, D. A.; Harris, E. J.

    2002-01-01

    Motivation: predictive capability Want to predict initiation, detonics and performance given: {sm_bullet} Variations in composition {sm_bullet} Variations in morphology {sm_bullet}Different loading conditions Previous work on PBX and ANFO: need physically-based model rather than just mechanical calibrations

  4. Effects of damage on non-shock initiation of HMX-based explosives

    SciTech Connect

    Preston, Daniel N; Peterson, Paul D; Kien - Yin, Lee; Chavez, David E; Deluca, Racci; Avilucea, Gabriel; Hagelberg, Stephanie

    2009-01-01

    Structural damage in energetic materials plays a significant role in the probability of nonshock initiation events. Damage may occur in the form of voids or cracks either within crystals or in binder-rich regions between crystals. These cracks affect whether hotspots generated by impact will quench or propagate under non-shock insult. For this study, we have separately engineered intracrystalline and inter-crystalline cracks in to the HMX-based PBX 9501. Intra-crystalline cracks were created by subjecting HMX to forward and reverse solid-to-solid phase transformations prior to formulation. Inter-crystalline cracks were induced by compressing formulated samples of PBX 9501 at an average strain rate of 0.00285 S{sup -1}. Both sets of pre-damaged explosives were then impact tested using the LANL Type 12 Drop Weight-Impact Machine and their sensitivities compared to nondamaged PBX 9501. Results of these tests clearly show significant differences in sensitivity between damaged and non-damaged PBX 9501.

  5. Molecular dynamics study of binding energies, mechanical properties, and detonation performances of bicyclo-HMX-based PBXs.

    PubMed

    Qiu, Ling; Xiao, Heming

    2009-05-15

    To investigate the effect of polymer binders on the monoexplosive, molecular dynamics simulations were performed to study the binding energies, mechanical properties, and detonation performances of the bicyclo-HMX-based polymer-bonded explosives (PBXs). The results show that the binding energies on different crystalline surfaces of bicyclo-HMX decrease in the order of (010)>(100)>(001). On each crystalline surface, binding properties of different polymers with the same chain segment are different from each other, while those of the polymers in the same content decrease in the sequence of PVDF>F(2311)>F(2314) approximately PCTFE. The mechanical properties of a dozen of model systems (elastic coefficients, various moduli, Cauchy pressure, and Poisson's ratio) have been obtained. It is found that mechanical properties are effectively improved by adding small amounts of fluorine polymers, and the overall effect of fluorine polymers on three crystalline surfaces of bicyclo-HMX changes in the order of (010)>(001) approximately (100). In comparison with the base explosive, detonation performances of the PBXs decrease slightly, but they are still superior to TNT. These suggestions may be useful for the formulation design of bicyclo-HMX-based PBXs.

  6. Experimental Measurements of the Chemical Reaction Zone of TATB and HMX based explosives

    NASA Astrophysics Data System (ADS)

    Bouyer, Viviane; Héebert, Philippe; Doucet, Michel; Sollier, Arnaud; Decaris, Lionel; Terzulli, Louis-Pierre

    2011-06-01

    In order to have an insight into the chemical reaction zone of explosives, experimental measurement of the detonation wave profile of solid explosives using laser velocimetry techniques are performed. The experiments consist in initiating a detonation wave in a cylinder of explosive using an explosive wire detonator and an explosive booster and measuring the particle velocity of an explosive-window interface or free surface velocity of an accelerated foil. Two explosives (TATB based and TATB-HMX based) have been studied through several configurations where the cylinder diameter and window or plate material could vary. Particle velocity profiles have been measured by VISAR and Heterodyne Velocimetry (HV). The results on the behavior of the explosives have been analyzed and compared with those of Photon Doppler Velocimetry of expanding species experiments. These experiments also enabled to carry on the comparison of the efficiency of VISAR and HV in such applications.

  7. Thermal Cook-off of an HMX Based Explosive: Pressure Gauge Experiments and Modeling

    SciTech Connect

    Urtiew, P A; Forbes, J W; Tarver, C M; Garcia, F; Greenwood, D W; Vandersall, K S

    2002-04-02

    Safety issues related to thermal cook-off are important for handling and storing explosive devices. Violence of event as a function of confinement is important for prediction of collateral events. There are major issues, which require an understanding of the following events: (1) transit to detonation of a pressure wave from a cook-off event, (2) sensitivity of HMX based explosives changes with thermally induced phase transitions and (3) the potential danger of neighboring explosive devices being affected by a cook-off reaction. Results of cook-off events of known size, confinement and thermal history allows for development and/or calibrating computer models for calculating events that are difficult to measure experimentally.

  8. Evidence for Sublimation/Recondensation Controlling Ignition Time in HMX Thermal Explosions

    NASA Astrophysics Data System (ADS)

    Smilowitz, Laura; Henson, Bryan

    2014-03-01

    Time to ignition for HMX based secondary high explosive formulations can be plotted linearly on a simple Arrhenius plot. The time to ignition is believed to be controlled by specific chemical decomposition steps with the rate limiting step being decomposition in the solid, accompanied by significant exothermicity. Subsequent exothermic chemistry involving gas phase products is also important. We have evidence for the diffusion of intact HMX molecules within hot HMX formulations. The sublimation and recondensation of HMX molecules carries significant enthalpy around a system, comparable to the enthalpy of reaction in the solid and gas phase, and can impact both the time and location of ignition. In this talk, we will present evidence that HMX sublimation and recondensation can control the time to ignition in a PBX 9501 thermal explosion.

  9. The heat dissipation model and desensitizing mechanism of the HMX/additive interfaces: a theoretical investigation based on linear response theory

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2013-07-01

    Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is a high-energy explosive with high sensitivity. The heat dissipation of the HMX/additive interface is a key issue in understanding the hot spot formation and desensitizing mechanism of mixture explosive. In this work, we derive new formulae to calculate the heat dissipation rate for a set of HMX/additive interfaces, and build a physical model to describe the energy dissipation time and distance in mixture explosive. Four kinds of additives are considered: 1,3,5-triamino-2,4,6-trinitrobenzene, graphite, paraffin and fluoropolymers. At low strength loading, we prove that the heat dissipation rate is proportional to the square of frequency, and suggest a way to decrease the sensitivity of the explosive. At medium strength loading, the viscosity coefficient and friction coefficient of interface are calculated. The desensitizing abilities of additives to HMX are discussed systematically.

  10. Equation of state formulation for unreacted solid high explosives, PETN and HMX

    NASA Astrophysics Data System (ADS)

    Nagayama, Kunihito

    2015-06-01

    Equation of state (EOS) for unreacted explosives has been formulated thermodynamically aiming at using with numerical code of SDT processes. A generalized form of EOS is given in terms of p-v-E from the available static isothermal compression curve with non-constant specific heat, and arbitrary Grüneisen volume function. In this paper, a procedure of providing p-v-E EOS is developed based on the specific heat at constant volume as a function of entropy, Grüneisen volume function, together with Birch-Murnagan form of the isotherm. Material function of EOS and shock Hugoniot for PETN and HMX has been calculated, which is compared with the experimental data of shock-particle velocity Hugoniot. Dependence of shock pressure and temperature on the Grüneisen volume function is discussed. Insensitivity of the shock-particle velocity relationship to functional form of Grüneisen volume function is also shown. Second author: Dr. Shiro Kubota (AIST Japan).

  11. Solid-state modeling of the terahertz spectrum of the high explosive HMX.

    PubMed

    Allis, Damian G; Prokhorova, Darya A; Korter, Timothy M

    2006-02-01

    The experimental solid-state terahertz (THz) spectrum (3-120 cm(-1)) of the beta-crystal form of the high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) has been analyzed using solid-state density functional theory calculations. Various density functionals (both generalized gradient approximation and local density approximation) are compared in terms of their abilities to reproduce the experimentally observed solid-state structure and low-frequency vibrational motions. Good-to-excellent agreement between solid-state theory and experiment can be achieved in the THz region where isolated-molecule calculations fail to reproduce the observed spectral features, demonstrating a clear limitation of using isolated-molecule calculations for the assignment of THz frequency motions in molecular solids. The deficiency of isolated-molecule calculations is traced to modification of the molecular structure in the solid state through crystal packing effects and the formation of weak C-H...O hydrogen bonds.

  12. Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Effects of Composition, Confinement, and Solid Phase Using the Scaled Thermal Explosion Experiment

    SciTech Connect

    Maienschein, J L; Wardell, J F

    2002-03-14

    The Scaled Thermal Explosion Experiment (STEX) has been developed to quantify the violence of thermal explosion under well defined and carefully controlled initial and boundary conditions. Here we present results with HMX-based explosives (LX-04 and PBX-9501) and with Composition B. Samples are 2 inches (50 mm) in diameter and 8 inches (200 mm) in length, under confinement of 7,500-30,000 psi (50-200 MPa), with heating rates of 1-3 C/hr. We quantify reaction violence by measuring the wall velocity in the ensuing thermal explosion, and relate the measured velocity to that expected from a detonation. Results with HMX-based explosives (LX-04 and PBX-9501) have shown the importance of confinement and HMX solid phase, with reaction violence ranging from mild pressure bursts to near detonations. By contrast, Composition B has shown very violent reactions over a wide range of conditions.

  13. Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Effects of Composition, Confinement, and Solid Phase Using the Scaled Thermal Explosion Experiment

    SciTech Connect

    Maienschein, J L; Wardell, J F

    2002-08-26

    The Scaled Thermal Explosion Experiment (STEX) has been developed to quantify the violence of thermal explosion under well defined and carefully controlled initial and boundary conditions. Here we present results with HMX-based explosives (LX-04 and PBX-9501) and with Composition B. Samples are 2 inches (50 mm) in diameter and 8 inches (200 mm) in length, under confinement of 7,500-30,000 psi (50-200 MPa), with heating rates of 1-3 C/hr. We quantify reaction violence by measuring the wall velocity in the ensuing thermal explosion, and relate the measured velocity to that expected from a detonation. Results with HMX-based explosives (LX-04 and PBX-9501) have shown the importance of confinement and HMX solid phase, with reaction violence ranging from mild pressure bursts to near detonations. By contrast, Composition B has shown very violent reactions over a wide range of conditions.

  14. Ignition Prediction of Pressed HMX based on Hotspot Analysis Under Shock Pulse Loading

    NASA Astrophysics Data System (ADS)

    Kim, Seokpum; Miller, Christopher; Horie, Yasuyuki; Molek, Christopher; Welle, Eric; Zhou, Min

    The ignition behavior of pressed HMX under shock pulse loading with a flyer is analyzed using a cohesive finite element method (CFEM) which accounts for large deformation, microcracking, frictional heating, and thermal conduction. The simulations account for the controlled loading of thin-flyer shock experiments with flyer velocities between 1.7 and 4.0 km/s. The study focuses on the computational prediction of ignition threshold using James criterion which involves loading intensity and energy imparted to the material. The predicted thresholds are in good agreement with measurements from shock experiments. In particular, it is found that grain size significantly affects the ignition sensitivity of the materials, with smaller sizes leading to lower energy thresholds required for ignition. In addition, significant stress attenuation is observed in high intensity pulse loading as compared to low intensity pulse loading, which affects density of hotspot distribution. The microstructure-performance relations obtained can be used to design explosives with tailored attributes and safety envelopes.

  15. Burn rates of explosives at high pressures. [PETN, HMX, PBX-9404, PBX-9501 and PBX-9502

    SciTech Connect

    Holy, J.A.

    1985-01-01

    The burn rates of PETN, HMX, PBX-9404, PBX-9501, and PBX-9502 in inert gases have been determined as a function of pressure to 340 MPa by a closed bomb technique. The burn rates were fit to the de St.-Robert equation R = aP/sup n/. An abrupt transition to a higher rate of pressure increase generated by the burning sample occurs as the initial inert gas pressure is raised. In the porous beds of PETN and HMX, the rate change may be due to a transition from conductive to convective burning, an intermediate step in the deflagration-to-detonation transition. The rate change is probably due to a sample deconsolidation in the PBX-9404 and PBX-9501 sticks. It is also found that there is a minimum pressure below which deflagration cannot be sustained. 11 refs., 4 figs., 1 tab.

  16. Investigating short-pulse shock initiation thresholds in HMX-based explosives with reactive mesoscale simulations

    NASA Astrophysics Data System (ADS)

    Springer, H.; May, C.; Tarver, C.; Reaugh, J.

    2013-06-01

    Short-pulse loading experiments have demonstrated the probabilistic nature of shock initiation thresholds in a variety of explosives. The intensely loaded region of explosive adjacent to the flyer impact zone, and its potential hot spots, influences the overall sample shock sensitivity. As the size of this region decreases below the representative volume element size, the likelihood of sampling differing hot spot densities in it increases from sample to sample. We hypothesize that this variation in active hot spots contributes to the probabilistic nature of short-pulse shock initiation. We investigate the role of microstructure and explosive reactive properties on shock initiation response with mesoscale simulations of miniature flyer plate experiments. LX-10 (95%wt HMX, 5%wt Viton A) is the model explosive. To investigate the influence of microstructure, we vary void size and spatial position. While void volume fraction and HMX grain size distributions are fixed, assigning random spatial positions to these parameters leads to hot spot density variations over many microstructural realizations. HMX reactivity is also investigated. The influences of microstructure and reactivity parameters are discussed. This study enables the development of predictive shock sensitivity models with basic structure-property information. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work was funded in part by the Joint DoD-DOE Munitions Program.

  17. A far- and Mid-infrared Study of HMX (octahydro-1 3 5 7-tetranitro-1 3 5 7-terazocine) Under High Pressure

    SciTech Connect

    M Pravica; M Galley; E Kim; P Weck; Z Liu

    2011-12-31

    We report two separate synchrotron FTIR measurements of the high explosive HMX at ambient temperature and static high pressure in the far- (100-500 wavenumbers) and mid- (500-3200 wavenumbers) infrared (IR) regions up to 30 GPa. The sample for the far-IR experiment was loaded with no pressure-transmitting medium and the sample for the mid-IR study utilized a KBr pressurizing medium. Two possible phase transitions from beta-HMX at ambient conditions were observed near 5 and 12 GPa (likely into the epsilon phase). A phase transition was observed near 25 GPa probably into the delta phase. Pressure cycling in both experiments found no irreversible damage within this pressure range.

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

    SciTech Connect

    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.

  19. Preparation and Properties of Surface-Coated HMX with Viton and Graphene Oxide

    NASA Astrophysics Data System (ADS)

    Wang, Jingyu; Ye, Baoyun; An, Chongwei; Wu, Bidong; Li, Hequn; Wei, Yanju

    2016-07-01

    To improve the safety performance of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) particles, the new carbon material graphene oxide (GO) and Viton were used to coat HMX via a solvent-slurry process. For comparison, the HMX/Viton/graphite (HMX/Viton/G) and HMX/Viton composites were also prepared by the same process. Atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and differential scanning calorimetry (DSC) were employed to characterize the morphology, composition, and thermal decomposition of samples. The impact sensitivity and shock wave sensitivity of HMX-based composites were also measured and analyzed. The results of SEM, XRD, and XPS indicate that the cladding layer of HMX-based composites is successfully constructed. HMX/Viton/GO composites exhibit better thermal stability compared to HMX and HMX/Viton. The results show that both impact and shock wave sensitivities of HMX/Viton/GO composites are much lower than that of HMX/Viton. In addition, GO sheets exhibit a better desensitizing effect than G sheets. These combined properties suggest that nano-GO has good compatibility with explosives and can be utilized as a desensitizer in HMX particles.

  20. Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

    SciTech Connect

    Willey, Trevor M. Lauderbach, Lisa; Gagliardi, Franco; Buuren, Tony van; Glascoe, Elizabeth A.; Tringe, Joseph W.; Lee, Jonathan R. I.; Springer, H. Keo; Ilavsky, Jan

    2015-08-07

    HMX-based explosives LX-10 and PBX-9501 were heated through the β-δ phase transition. Ultra-small angle x-ray scattering (USAXS) and molecular diffraction were simultaneously recorded as the HMX was heated. Mesoscale voids and structure dramatically change promptly with the β-δ phase transition, rather than with other thermal effects. Also, x-ray induced damage, observed in the USAXS, occurs more readily at elevated temperatures; as such, the dose was reduced to mitigate this effect. Optical microscopy performed during a similar heating cycle gives an indication of changes on longer length scales, while x-ray microtomography, performed before and after heating, shows the character of extensive microstructural damage resulting from the temperature cycle and solid-state phase transition.

  1. Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition

    NASA Astrophysics Data System (ADS)

    Willey, Trevor M.; Lauderbach, Lisa; Gagliardi, Franco; van Buuren, Tony; Glascoe, Elizabeth A.; Tringe, Joseph W.; Lee, Jonathan R. I.; Springer, H. Keo; Ilavsky, Jan

    2015-08-01

    HMX-based explosives LX-10 and PBX-9501 were heated through the β-δ phase transition. Ultra-small angle x-ray scattering (USAXS) and molecular diffraction were simultaneously recorded as the HMX was heated. Mesoscale voids and structure dramatically change promptly with the β-δ phase transition, rather than with other thermal effects. Also, x-ray induced damage, observed in the USAXS, occurs more readily at elevated temperatures; as such, the dose was reduced to mitigate this effect. Optical microscopy performed during a similar heating cycle gives an indication of changes on longer length scales, while x-ray microtomography, performed before and after heating, shows the character of extensive microstructural damage resulting from the temperature cycle and solid-state phase transition.

  2. Toxicity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in three vertebrate species.

    PubMed

    Johnson, Mark S; McFarland, Craig A; Bazar, Matthew A; Quinn, Michael J; LaFiandra, Emily May; Talent, Larry G

    2010-04-01

    The explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine or high-melting explosive (HMX), has been found in soils in areas used for testing and training by the military. Many of these areas contain habitat for valued wildlife species. In an effort to better understand the environmental consequences from exposure, a reptilian (western fence lizard [Sceloporus occidentalis]), an amphibian (red-backed salamander [Plethodon cinereus]), and a mammalian species (rabbit [Oryctolagus cuniculus]) were exposed to HMX under controlled laboratory conditions. Lizards and rabbits were exposed to HMX by way of corn oil through gavage, and salamanders were exposed to HMX in soil. Two deaths occurred from acute oral exposures to lizards to 5000 mg HMX/kg BW. Histological and gross pathologic assessment suggested gut impaction as a possible cause of death. Salamanders exposed to concentrations of HMX in soil < or = 1970 mg HMX/kg soil for 10 days did not show adverse effects. Rabbits, however, showed neurologic effects manifested as hyperkinetic events with convulsions at > 24 h after oral exposures. An LD(50) for rabbits was calculated as 93 mg/kg (95% confidence interval 76-117). A subacute 14-day testing regime found a lowest observed effect level of 10 mg/kg-d and a no observed adverse effect level of 5 mg/kg-d based on hyperkinesia and seizure incidence, although changes suggesting functional hepatic alterations were also found. These data suggest that physiologic differences between species, particularly in gastrointestinal structure and function, can affect the absorption of HMX and hence lead to marked differences in toxicity from exposure to the same compound. PMID:20012743

  3. Toxicity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in three vertebrate species.

    PubMed

    Johnson, Mark S; McFarland, Craig A; Bazar, Matthew A; Quinn, Michael J; LaFiandra, Emily May; Talent, Larry G

    2010-04-01

    The explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine or high-melting explosive (HMX), has been found in soils in areas used for testing and training by the military. Many of these areas contain habitat for valued wildlife species. In an effort to better understand the environmental consequences from exposure, a reptilian (western fence lizard [Sceloporus occidentalis]), an amphibian (red-backed salamander [Plethodon cinereus]), and a mammalian species (rabbit [Oryctolagus cuniculus]) were exposed to HMX under controlled laboratory conditions. Lizards and rabbits were exposed to HMX by way of corn oil through gavage, and salamanders were exposed to HMX in soil. Two deaths occurred from acute oral exposures to lizards to 5000 mg HMX/kg BW. Histological and gross pathologic assessment suggested gut impaction as a possible cause of death. Salamanders exposed to concentrations of HMX in soil < or = 1970 mg HMX/kg soil for 10 days did not show adverse effects. Rabbits, however, showed neurologic effects manifested as hyperkinetic events with convulsions at > 24 h after oral exposures. An LD(50) for rabbits was calculated as 93 mg/kg (95% confidence interval 76-117). A subacute 14-day testing regime found a lowest observed effect level of 10 mg/kg-d and a no observed adverse effect level of 5 mg/kg-d based on hyperkinesia and seizure incidence, although changes suggesting functional hepatic alterations were also found. These data suggest that physiologic differences between species, particularly in gastrointestinal structure and function, can affect the absorption of HMX and hence lead to marked differences in toxicity from exposure to the same compound.

  4. The response of the HMX-based material PBXN-9 to thermal insults: thermal decomposition kinetics and morphological changes

    SciTech Connect

    Glascoe, E A; Hsu, P C; Springer, H K; DeHaven, M R; Tan, N; Turner, H C

    2010-12-10

    PBXN-9, an HMX-formulation, is thermally damaged and thermally decomposed in order to determine the morphological changes and decomposition kinetics that occur in the material after mild to moderate heating. The material and its constituents were decomposed using standard thermal analysis techniques (DSC and TGA) and the decomposition kinetics are reported using different kinetic models. Pressed parts and prill were thermally damaged, i.e. heated to temperatures that resulted in material changes but did not result in significant decomposition or explosion, and analyzed. In general, the thermally damaged samples showed a significant increase in porosity and decrease in density and a small amount of weight loss. These PBXN-9 samples appear to sustain more thermal damage than similar HMX-Viton A formulations and the most likely reasons are the decomposition/evaporation of a volatile plasticizer and a polymorphic transition of the HMX from {beta} to {delta} phase.

  5. Photocatalysis for the destruction of aqueous TNT, RDX, and HMX

    SciTech Connect

    Showalter, S.K.; Prairie, M.R.; Stange, B.M.; Rodacy, P.J.; Leslie, P.K.

    1994-12-31

    The photo-destruction of the high explosives HMX, RDX and TNT was investigated using two systems (ozone versus titanium dioxide), two reactors (pot vs annular reactor), and two types of lamps (1000 Watt Hg-Xe vs 25 Watt LP Hg). A mass balance was performed on reactions executed under pseudo-solar conditions, and relative reaction rates and products were compared for ozone and titanium dioxide based processes. The ratios of relative product formation is also discussed. Results show that there was little difference in the reactions performed in the annular reactor when either ozone or titanium oxide were used. The chemistry of RDX and HMX are very similar, as expected. Future work involving the mechanism is also discussed.

  6. Experimental measurements of the chemical reaction zone of TATB and HMX based explosives

    NASA Astrophysics Data System (ADS)

    Bouyer, Viviane; Hebert, Philippe; Doucet, Michel; Decaris, Lionel; Terzulli, Louis-Pierre

    2012-03-01

    In order to have an insight into the chemical reaction zone of high explosives (HE), experimental measurements of the detonation wave profile of solid explosives using laser velocimetry techniques have been performed. The experiments consisted in initiating a detonation wave in a cylinder of explosive using an explosive wire detonator associated with an explosive booster and in measuring the particle velocity of an explosive-window interface. A TATB based HE and a TATBHMX based HE have been studied through several configurations where the cylinder geometry and the window material could vary. Particle velocity profiles were measured by VISAR and Heterodyne Velocimetry (HV). The results on the behavior of the explosives have been analyzed and compared with those of Photon Doppler Velocimetry of expanding species experiments. These experiments also enabled to carry on the comparison of the efficiency of VISAR and HV in such applications.

  7. Understanding and Predicting the Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Experimental Measurements of Material Properties and Reaction Violence

    SciTech Connect

    Maienschein, J L; Wardell, J F; Weese, R K; Cunningham, B J; Tran, T D

    2002-07-03

    The violence of thermal explosions with energetic materials is affected by many material properties, including mechanical and thermal properties, thermal ignition kinetics, and deflagration behavior. These properties must be characterized for heated samples as well as pristine materials. We present available data for these properties for two HMX-based formulations--LX-04 and PBX-9501, and two RDX-based formulations--Composition B and PBXN-109. We draw upon separately published data on the thermal explosion violence with these materials to compare the material properties with the observed violence. We have the most extensive data on deflagration behavior of these four formulations, and we discuss the correlation of the deflagration data with the violence results. The data reported here may also be used to develop models for application in simulation codes such as ALE3D to calculate and Dredict thermal explosion violence.

  8. Computer Simulations to Study the High-Pressure Deflagration of HMX

    NASA Astrophysics Data System (ADS)

    Reaugh, John E.

    2004-07-01

    The accepted micro-mechanical picture of the build-up of detonation in solid explosives from a shock is that imperfections are a source of hot spots. The hot spots ignite and link up in the reaction zone by high-pressure deflagration. Although the deflagration is subsonic, there are so many ignition sites that the pressure build-up is rapid enough to strengthen the initial shock. Quantitative advances in this research require a detailed understanding of deflagration at the high pressure, 1 to 50 GPa, which is present in the reaction zone. We performed direct numerical simulations of high-pressure deflagrations using a simplified global (3-reaction) chemical kinetics scheme. We used ALE-3D to calculate coupled chemical reactions, heat transfer, and hydrodynamic flow for finite-difference zones comprising a mixture of reactants and products at pressure and temperature equilibrium. The speed of isobaric deflagrations depends on the pressure and initial temperature. We show how this dependence changes with kinetic parameters, including the order of the last reaction step and the heat of formation of the species formed, relative to the reactant.

  9. Computer Simulations to Study the High-Pressure Deflagration of HMX

    SciTech Connect

    Reaugh, J E

    2003-07-11

    The accepted micro-mechanical picture of the build-up of detonation in solid explosives from a shock is that imperfections are a source of hot spots. The hot spots ignite and link up in the reaction zone by high-pressure deflagration. Although the deflagration is subsonic, there are so many ignition sites that the pressure build-up is rapid enough to strengthen the initial shock. Quantitative advances in this research require a detailed understanding of deflagration at the high pressure, 1 to 50 GPa, which is present in the reaction zone. We performed direct numerical simulations of high-pressure deflagrations using a simplified global (3-reaction) chemical kinetics scheme. We used ALE-3D to calculate coupled chemical reactions, heat transfer, and hydrodynamic flow for finite-difference zones comprising a mixture of reactants and products at pressure and temperature equilibrium. The speed of isobaric deflagrations depends on the pressure and initial temperature. We show how this dependence changes with kinetic parameters, including the order of the last reaction step and the heat of formation of the species formed, relative to the reactant.

  10. Enhanced biodegradation of cyclotetramethylenetetranitramine (HMX) under mixed electron-acceptor condition.

    PubMed

    Boopathy, R

    2001-02-01

    The biodegradation of cyclotetramethylenetetranitramine, commonly known as 'high melting explosive' (HMX), under various electron-acceptor conditions was investigated using enrichment cultures developed from the anaerobic digester sludge of Thibodaux sewage treatment plant. The results indicated that the HMX was biodegraded under sulfate reducing, nitrate reducing, fermenting, methanogenic, and mixed electron accepting conditions. However, the rates of degradation varied among the various conditions studied. The fastest removal of HMX (from 22 ppm on day 0 to < 0.05 ppm on day 11) was observed under mixed electron-acceptor conditions, followed in order by sulfate reducing, fermenting, methanogenic, and nitrate reducing conditions. Under aerobic conditions, HMX was not biodegraded, which indicated that HMX degradation takes place under anaerobic conditions via reduction. HMX was converted to methanol and chloroform under mixed electron-acceptor conditions. This study showed evidence for HMX degradation under anaerobic conditions in a mixed microbial population system similar to any contaminated field sites, where a heterogeneous population exists.

  11. Flame structure of sandwich systems based on ammonium perchlorate, HMX and polybutadiene rubber studied by probe mass-spectrometry and modeling

    SciTech Connect

    Chernov, A.A.; Shvartsberg, V.M.; Ermolin, N.E.

    1994-12-31

    The structure of subatmospheric flames of sandwich-type systems consisting of alternating laminae of ammonium perchlorate (AP) or HMX and {open_quotes}base{close_quotes} (polymerized mixture of fine-grained AP and polybutadiene binder) has been studied. The burning surface shape as well as the profiles of concentrations for 17 stable components and of temperature for three crosssections corresponding to the middle of {open_quotes}base{close_quotes} lamina, and to the interface between the laminae have been determined. The hypothesis assuming the existence of three types of flames in sandwiches has been verified experimentally. A concentration gradient of fuel components has been observed at the burning surface of the oxidizer, directed towards the burning surface. Multizone structures and step-by-step mechanisms of reactions in AP and HMX flames have been confirmed. A numerical study for the flame structure of sandwich system based on AP and {open_quotes}base{close_quotes} have been carried out. A simplified set of equations obtained from a complete Navier-Stokes set with the limiting transition M {yields} O have been used in order to construct a solution. Satisfactory agreement between calculated and experimental data on flame structure have been obtained.

  12. Binder/HMX interaction in PBX9501 at Elevated Temperatures

    SciTech Connect

    K., S C; M., T C

    2003-10-02

    Plastic bonded explosives (PBX) generally consist of 85 - 95 % by weight energetic material, such as HMX, and 5 - 15 % polymeric binder. Understanding of the structure and morphology at elevated temperatures and pressures is important for predicting of PBX behavior in accident scenarios. The crystallographic behavior of pure HMX has been measured as functions of temperature and grain size. The investigation is extended to the high temperature behavior of PBX 9501 (95% HMX, 2.5 % Estane, 2.5 % BDNPA/F). The results show that the HMX {beta}-phase to {delta}-phase transition in PBX 9501 is similar to that in neat HMX. However, in the presence of the PBX 9501 binder, {delta}-phase HMX readily converts back to {beta}-phase during cooling. Using the same temperature profile, the conversion rate decreases for each subsequent heating and cooling cycle. As observed in earlier experiments, no reverse conversion is observed without the polymer binder. It is proposed that the reversion of {delta}-phase to {beta}-phase is due to changes in the surface molecular potential caused by the influence of the polymer binder on the surface molecules of the {delta}-phase. Upon thermal cycling, the polymer binder segregates from the HMX particles and thus reduces the influence of the binder on the surface molecules. This segregation increases the resistance for the {delta}-phase to {beta}-phase transition, as demonstrated in an aged PBX 9501 material for which the reversion is not observed.

  13. Simulation study of the elastic mechanical properties of HMX

    SciTech Connect

    Sewell, T. D.

    2002-01-01

    Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics and Monte Carlo simulations. Principal achievements are: (1) prediction of room temperature and pressure elastic tensors for {beta}-, {alpha}- and {delta}-HMX; (2) calculation of room temperature isotherms for each polymorph; (3) extraction of initial bulk modulus and pressure derivative from the isotherm; and (4) 'discovery' of a pressure induced phase transition in {alpha}-HMX (preliminary result). Details of the work, and implications, will be discussed.

  14. Violent Reactions and DDT in Hot, Thermally Damaged HMX-Based PBXs

    SciTech Connect

    Parker, Gary R. Jr.; Holmes, Matthew D.; Dickson, Peter; Asay, Blaine W.; McAfee, John M.

    2012-07-03

    Conventional high explosives (e.g. PBX 9501, LX-07) have been observed to react violently following thermal insult: (1) Fast convective and compressive burns (HEVR); (2) Thermal explosions (HEVR); and (3) Deflagration-to-detonation transition (DDT). No models exist that sufficiently capture/predict these complex multiphase and multiscale behaviors. For now, research is focused on identifying vulnerabilities and factors that control this behavior.

  15. Effect of Transverse Electric Field on Sensitivity of an 88% by Weight HMX Based Energetic Material

    NASA Astrophysics Data System (ADS)

    Lee, Richard; Forbes, Jerry; Palermo, Edward; Wilson, William

    2007-06-01

    Thresholds for shock sensitivity were determined for explosive samples with and without applied fields using a variation of the Navy's modified gap test. Rectangular charges (76 mm wide x 12.7 mm long x 5 mm thick) confined on two sides by 50.8 mm thick bars of Teflon were shock loaded using the Navy's standard large scale gap test donor system. Free surface velocity at the opposite end of the sample (12.7 mm from input surface) was measured using a high-speed camera. Velocity versus input pressure plots highlight thresholds for first reaction, deflagration, and detonation. In addition the use of an intensified high-speed electronic camera provided a clear differentiation of when the products were self-luminous, directly confirming initiation. Electric fields were applied transverse to the shock direction via thin foil electrodes. These electrodes were held in place by the Teflon insulation. The data shows that this energetic material requires less input pressure to ignite the reaction with voltages of 5 kV applied across the 5 mm thick sample as compared to results without a field.

  16. Effect of Electric Fields on Sensitivity of AN Hmx Based Explosive

    NASA Astrophysics Data System (ADS)

    Lee, R. J.; Forbes, J. W.; Palermo, E.; Wilson, W. H.

    2007-12-01

    Thresholds for shock sensitivity were determined for explosive samples with and without applied fields using a variation of the Navy's modified gap test. Rectangular charges (76 mm wide×12.7 mm long×6 mm thick) confined on two sides by 50.8 mm thick bars of Teflon were shock loaded using the Navy's standard large scale gap test donor system. Particle blow-off velocity at the opposite end of the sample (12.7 mm from input surface) was measured using a high-speed camera. Velocity versus input pressure plots highlight thresholds for first reaction, deflagration, and detonation. In addition the use of an intensified high-speed electronic camera provided a clear differentiation of when the products were self-luminous, directly confirming initiation. Electric fields were applied transverse to the shock direction via thin foil electrodes. These electrodes were held in place by the Teflon insulation. The data show that higher levels of reaction were obtained in this explosive with less input stress when voltages of 5 kV were applied across the 6 mm thick sample as compared to results without a field.

  17. Unreacted Equations of State of Shocked Single Crystal PETN and Beta-HMX

    NASA Astrophysics Data System (ADS)

    Zaug, Joseph; Armstrong, Michael; Crowhurst, Jonathan; Ferranti, Louis; Bastea, Sorin; Fried, Lawrence

    2014-03-01

    We report results from ultrafast shockwave experiments conducted on single crystal high explosives. Ultrafast shock studies can enable high throughput characterizations of unreacted equations of state to higher pressures than previously reported and also quantify the magnitude of anisotropic mechanical response to shock waves. Our ultrafast results yield -as of this writing- [110] PETN data up to a pressure of 26 GPa, which is 1.6x higher than published mid-scale gun results. Published HMX shock data are strikingly sparse; seven points up to approximately 10 GPa are reported from shocked solvent-pressed beta-HMX and Robert Craig reported three single crystal points (undisclosed crystal orientation) between 34 and 42 GPa. Two nonhydrostatic cold-compression diamond-anvil cell studies, u-Raman + u-XRD, and u-Raman + deflagration rates, report a transition in HMX, possibly shear induced, beginning at 26-27 GPa. A previously posed question is whether Craig's data are affected by this transition. ∖pard An analysis of our results for [010] beta-HMX indicate it is less compressible than portrayed by the commonly accepted Hugoniot, which is based on a parameterized third-order Birch-Murnaghan model EoS using the ten before mentioned shock wave measurements and the more recent cold-compression u-XRD study by Yoo et al. Work performed by the U.S. Department of Energy jointly by Lawrence Livermore National Laboratory; Contract DE-AC52-07NA27344.

  18. Cyclodextrin-assisted capillary electrophoresis for determination of the cyclic nitramine explosives RDX, HMX and CL-20 comparison with high-performance liquid chromatography.

    PubMed

    Groom, Carl A; Halasz, Annamaria; Paquet, Louise; D'Cruz, Philomena; Hawari, Jalal

    2003-05-30

    A sulfobutyl ether-beta-cyclodextrin-assisted electrokinetic chromatographic method was developed to rapidly resolve and detect the cyclic nitramine explosives 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane (CL-20), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and their related degradation intermediates in environmental samples. Development of the electrophoretic method required the measurement of the aqueous solubility of CL-20 which was determined to be 3.59 +/- 0.74 mg/l at 25 degrees C (95% confidence interval, n=3). The performance of the method was then compared to results obtained from existing high-performance liquid chromatography methods including US Environmental Protection Agency method 8330. PMID:12885047

  19. The Thermal Response of HMX-TATB Charges

    NASA Astrophysics Data System (ADS)

    Drake, Rod

    2015-06-01

    The use of formulations containing two explosives is one approach to achieving charge safety and performance requirements. The intention of this approach is to produce a formulation that only has the desirable features of the constituent materials. HMX and TATB have very different properties & have been used in a study to understand how the characteristics of the constituent materials affect the thermal response of a mixed formulation. A range of formulations were prepared in which the proportion and particle size distributions of the HMX and TATB were varied. Times to explosion of spherical charges were measured in the One-Dimensional Time-To-Explosion apparatus and compared to those of formulations based only on HMX and TATB. The response of the mixed formulations was found to be largely determined by the HMX. Small contributions to the responses were made by the binder type and the particle size of the TATB. Numerical models were developed and used to rationalise the results.

  20. Modeling solid thermal explosion containment on reactor HNIW and HMX.

    PubMed

    Lin, Chun-Ping; Chang, Chang-Ping; Chou, Yu-Chuan; Chu, Yung-Chuan; Shu, Chi-Min

    2010-04-15

    2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane (HNIW), also known as CL-20 and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), are highly energetic materials which have been popular in national defense industries for years. This study established the models of thermal decomposition and thermal explosion hazard for HNIW and HMX. Differential scanning calorimetry (DSC) data were used for parameters determination of the thermokinetic models, and then these models were employed for simulation of thermal explosion in a 437L barrel reactor and a 24 kg cubic box package. Experimental results indicating the best storage conditions to avoid any violent runaway reaction of HNIW and HMX were also discovered. This study also developed an efficient procedure regarding creation of thermokinetics and assessment of thermal hazards of HNIW and HMX that could be applied to ensure safe storage conditions.

  1. Sequential biodegradation of TNT, RDX and HMX in a mixture.

    PubMed

    Sagi-Ben Moshe, S; Ronen, Z; Dahan, O; Weisbrod, N; Groisman, L; Adar, E; Nativ, R

    2009-01-01

    We describe TNT's inhibition of RDX and HMX anaerobic degradation in contaminated soil containing indigenous microbial populations. Biodegradation of RDX or HMX alone was markedly faster than their degradation in a mixture with TNT, implying biodegradation inhibition by the latter. The delay caused by the presence of TNT continued even after its disappearance and was linked to the presence of its intermediate, tetranitroazoxytoluene. PCR-DGGE analysis of cultures derived from the soil indicated a clear reduction in microbial biomass and diversity with increasing TNT concentration. At high-TNT concentrations (30 and 90 mg/L), only a single band, related to Clostridium nitrophenolicum, was observed after 3 days of incubation. We propose that the mechanism of TNT inhibition involves a cytotoxic effect on the RDX- and HMX-degrading microbial population. TNT inhibition in the top active soil can therefore initiate rapid transport of RDX and HMX to the less active subsurface and groundwater.

  2. Thermal reactive hazards of HMX with contaminants.

    PubMed

    Peng, Deng-Jr; Chang, Cheng-Ming; Chiu, Miin

    2004-10-18

    In the past, many unexpected runaway accidents occurred in manufacturing processes, involving volatile chemical and explosive storage and transportation. Incompatible product reactions of high explosives must be carefully considered using loss prevention strategies for thermal hazards risk analysis. High explosive reactions vary via environmental changes, contact materials, or process situations, such as onset temperature and shifts in reaction type when high explosives are in contact with contaminants. Therefore, the manufacture and handling of high explosives require the utmost in safety and loss prevention. HMX (cyclotetramethyene tetranitramine) is one kind of high explosive widely used around the world which is stable with high detonation strength properties. In this study, the influences of contaminants on HMX are investigated. The studied contaminants include ferrous chloride tetrahydrate, ferric chloride hexahydrate, acetone solution, acetic acid, and nitric acid. DSC thermal curves and incompatible reaction kinetic evaluations were preformed using iron, chlorine and acid. Organic acetone solution has lesser effects on HMX. Hopefully, this study will lead to improved thermal hazards risk analysis and reduce accidents.

  3. Investigating short-pulse shock initiation in HMX-based explosives with reactive meso-scale simulations

    NASA Astrophysics Data System (ADS)

    Springer, H. K.; Tarver, C. M.; Reaugh, J. E.; May, C. M.

    2014-05-01

    We performed reactive meso-scale simulations of short-pulse experiments to study the influence of flyer velocity and pore structure on shock initiation of LX-10 (95wt% HMX, 5wt% Viton A). Our calculations show that the reaction evolution fit a power law relationship in time and increases with increasing porosity, decreasing pore size, and increasing flyer velocity. While heterogeneous shock initiation modes, dependent on hot spot mechanisms, are predicted at lower flyer velocities, mixed heterogeneous-homogeneous shock initiation modes, less dependent on hot spots, are predicted at higher velocities. These studies are important because they enable the development of predictive shock initiation models that incorporate complex microstructure and can be used to optimize performance-safety characteristics of explosives.

  4. Analysis of thermomechanical response of polycrystalline HMX under impact loading through mesoscale simulations

    NASA Astrophysics Data System (ADS)

    Hardin, D. B.; Rimoli, J. J.; Zhou, M.

    2014-09-01

    We investigate the response of polycrystalline HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under impact loading through a 3-dimensional mesoscale model that explicitly accounts for anisotropic elasticity, crystalline plasticity, and heat conduction. This model is used to quantify the variability in temperature and stress fields due to random distributions of the orientations of crystalline grains in HMX under the loading scenarios considered. The simulations carried out concern the response of fully dense HMX polycrystalline ensembles under impact loading at imposed boundary velocities from 50 to 400 m/s. The polycrystalline ensemble studied consists of a geometrically arranged distribution of bi-modally sized and shaped grains. To quantify the effect of crystalline slip, two models with different numbers of available slip systems are used, reflecting differing characterizations of the slip systems of the HMX molecular crystal in the literature. The effects of microstructure and anisotropy on the distribution of heating and stress evolution are investigated. The results obtained indicate that crystalline response anisotropy at the microstructure level plays an important role in influencing both the overall response and the localization of stress and temperature. The overall longitudinal stress is up to 16% higher and the average temperature rise is only half in the material with fewer potential slip systems compared to those in the material with more available slip systems. Local stresses can be as high as twice the average stresses. The results show that crystalline anisotropy induces significant heterogeneities in both mechanical and thermal fields that previously have been neglected in the analyses of the behavior of HMX-based energetic materials.

  5. Effects of HMX-lead mixtures on reproduction of the earthworm Eisenia andrei.

    PubMed

    Savard, Kathleen; Berthelot, Yann; Auroy, Aurelie; Spear, Philip A; Trottier, Bertin; Robidoux, Pierre Yves

    2007-10-01

    High metal (e.g., Pb) concentrations are typically found in explosive-contaminated soil, and their presence may increase, decrease, or not influence toxicity predicted on the basis of one explosive alone (e.g., HMX). Nevertheless, few data are available in the scientific literature for this type of multiple exposure. Soil organisms, such as earthworms, are one of the first receptors affected by the contamination of soil. Therefore, a reproductive study was conducted using Eisenia andrei in a forest-type soil. Both HMX and Pb decreased reproduction parameters (number of total cocoons, hatched cocoons, and surviving juveniles) individually. Based on the total number of cocoons, HMX was more toxic in a forest soil than Pb, with EC(50) of 31 mg kg(-1), and 1068 mg kg(-1), respectively. The slope of the concentration-response curve was significantly greater in the case of Pb, which is consistent with the possibility that the two compounds do not act on the same target site. The response-addition model was used to predict the response of earthworms and to test for interaction between the two contaminants. The predicted toxicity was not significantly different than the observed toxicity, implying that Pb and HMX were considered noninteractive compounds. The combined action of Pb-HMX may be described, therefore, as dissimilar-noninteractive joint action in a forest soil. The results illustrate the relevance of considering the presence of metals in the risk assessment of explosive-contaminated sites because metals can add their toxicity to explosives. Extension of this study to other types of soil and other metals would improve the understanding of toxicity at these sites.

  6. Method for synthesizing HMX

    DOEpatents

    McGuire, Raymond R.; Coon, Clifford L.; Harrar, Jackson E.; Pearson, Richard K.

    1984-01-01

    A method and apparatus for electrochemically synthesizing N.sub.2 O.sub.5 cludes oxidizing a solution of N.sub.2 O.sub.4 /HNO.sub.3 at an anode, while maintaining a controlled potential between the N.sub.2 O.sub.4 /HNO.sub.3 solution and the anode. A potential of about 1.35 to 2.0 V vs. SCE is preferred, while a potential of about 1.80 V vs. SCE is most preferred. Thereafter, the N.sub.2 O.sub.5 is reacted with either 1.5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane (DADN) or 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane (TAT) to form cyclotetramethylenetetraamine (HMX).

  7. Particle Characterization of Pressed Granular HMX

    NASA Astrophysics Data System (ADS)

    Burnside, N. J.; Son, S. F.; Skidmore, C. B.; Asay, B. W.

    1997-07-01

    Often, little material characterization is reported in studies that use granular explosives, such as deflagration-to-detonation transition (DDT) experiments. This lack of characterization makes modeling and interpretation of the experiments difficult. Further, very little is known about how particle size changes with compaction processes, even for quasi-static pressing. Changes in available surface area could significantly affect the initiation of such materials. In this work we report measurements of the particle size distribution of original granular HMX, as well as the size distribution of pressed (higher density) samples. Scanning electron microscope (SEM) pictures are presented and are found to be useful in interpreting the size distribution measurements of the granular HMX, as well as helping to more fully characterizing the state of the particles. We find that the particle size distribution changes significantly with pressing. That is, particles are observed to be highly fractured and damaged at higher pressed densities. Also, we have found that sample preparation can significantly affect size distribution measurements. In particular, even short duration sonication can have a significant effect on the measured size distributions of pressed HMX samples.

  8. A comparative study of 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under high pressures using Raman spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Zeng, Yangyang; Song, Yunfei; Yu, Guoyang; Zheng, Xianxu; Guo, Wencan; Zhao, Jun; Yang, Yanqiang

    2016-09-01

    High pressure Raman experiment was performed to compare RDX and HMX crystals. Ab initio calculations using B3LYP Density Functional Theory method with Sadlej's medium-sized polarized basis set (SadlejpVTZ) were carried out for Caae RDX and 1,5-diaxial-3,7-diequatorial chair HMX molecules. Our calculations and measured Raman vibrational spectra reveal both molecules have similarities on bonding and vibrational properties at ambient pressure. However, high pressure responses for both molecules aren't the same. For RDX, at pressure near 4 GPa, a number of changes become apparent in the Raman spectra, such as modes splitting, intensity modification, and discontinuity of pressure-dependence of frequency shifts, which are consistent with previous experiment and believed to associate with α-γ phase transition. For HMX, only slight conformational deformation involving NO2 group was observed, and was considered as an onset of β-ε phase transition. It is proposed that the markedly different behavior under high pressure for these two molecules results from different molecular packing in unit cell.

  9. An Analytic Tool to Investigate the Effect of Binder on the Sensitivity of HMX-Based Plastic Bonded Explosives in the Skid Test

    SciTech Connect

    Hayden, D. W.

    2004-11-01

    This project will develop an analytical tool to calculate performance of HMX based PBXs in the skid test. The skid-test is used as a means to measure sensitivity for large charges in handling situations. Each series of skid tests requires dozens of drops of large billets. It is proposed that the reaction (or lack of one) of PBXs in the skid test is governed by the mechanical properties of the binder. If true, one might be able to develop an analytical tool to estimate skid test behavior for new PBX formulations. Others over the past 50 years have tried to develop similar models. This project will research and summarize the works of others and couple the work of 3 into an analytical tool that can be run on a PC to calculate drop height of HMX based PBXs. Detonation due to dropping a billet is argued to be a dynamic thermal event. To avoid detonation, the heat created due to friction at impact, must be conducted into the charge or the target faster than the chemical kinetics can create additional energy. The methodology will involve numerically solving the Frank-Kamenetskii equation in one dimension. The analytical problem needs to be bounded in terms of how much heat is introduced to the billet and for how long. Assuming an inelastic collision with no rebound, the billet will be in contact with the target for a short duration determined by the equations of motion. For the purposes of the calculations, it will be assumed that if a detonation is to occur, it will transpire within that time. The surface temperature will be raised according to the friction created using the equations of motion of dropping the billet on a rigid surface. The study will connect the works of Charles Anderson, Alan Randolph, Larry Hatler, Alfonse Popolato, and Charles Mader into a single PC based analytic tool. Anderson's equations of motion will be used to calculate the temperature rise upon impact, the time this temperature is maintained (contact time) will be obtained from the work of

  10. Surface-Accelerated Decomposition of δ-HMX.

    PubMed

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

    2013-03-01

    Despite extensive efforts to study the explosive decomposition of HMX, a cyclic nitramine widely used as a solid fuel, explosive, and propellant, an understanding of the physicochemical processes, governing the sensitivity of condensed HMX to detonation initiation is not yet achieved. Experimental and theoretical explorations of the initiation of chemistry are equally challenging because of many complex parallel processes, including the β-δ phase transition and the decomposition from both phases. Among four known polymorphs, HMX is produced in the most stable β-phase, which transforms into the most reactive δ-phase under heat or pressure. In this study, the homolytic NO2 loss and HONO elimination precursor reactions of the gas-phase, ideal crystal, and the (100) surface of δ-HMX are explored by first principles modeling. Our calculations revealed that the high sensitivity of δ-HMX is attributed to interactions of surfaces and molecular dipole moments. While both decomposition reactions coexist, the exothermic HONO-isomer formation catalyzes the N-NO2 homolysis, leading to fast violent explosions. PMID:26281926

  11. Surface-Accelerated Decomposition of δ-HMX.

    PubMed

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

    2013-03-01

    Despite extensive efforts to study the explosive decomposition of HMX, a cyclic nitramine widely used as a solid fuel, explosive, and propellant, an understanding of the physicochemical processes, governing the sensitivity of condensed HMX to detonation initiation is not yet achieved. Experimental and theoretical explorations of the initiation of chemistry are equally challenging because of many complex parallel processes, including the β-δ phase transition and the decomposition from both phases. Among four known polymorphs, HMX is produced in the most stable β-phase, which transforms into the most reactive δ-phase under heat or pressure. In this study, the homolytic NO2 loss and HONO elimination precursor reactions of the gas-phase, ideal crystal, and the (100) surface of δ-HMX are explored by first principles modeling. Our calculations revealed that the high sensitivity of δ-HMX is attributed to interactions of surfaces and molecular dipole moments. While both decomposition reactions coexist, the exothermic HONO-isomer formation catalyzes the N-NO2 homolysis, leading to fast violent explosions.

  12. Chemical Kinetic Modeling of HMX and TATB Laser Ignition Tests

    SciTech Connect

    Tarver, C M

    2004-03-02

    Recent laser ignition experiments on octahydro-1,3,5,7-tetranitro-1,3,5,7-terrazocine (HMX) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) subjected to laser fluxes ranging from 10 to 800 W/cm{sup 2} produced ignition times from seconds to milliseconds. Global chemical kinetic thermal decomposition models for HMX and TATB have been developed to calculate times to thermal explosion for experiments in the seconds to days time frame. These models are applied to the laser ignition experimental data in this paper. Excellent agreement was obtained for TATB, while the calculated ignition times were longer than experiment for HMX at lower laser fluxes. At the temperatures produced in the laser experiments, HMX melts. Melting generally increases condensed phase reaction rates so faster rates were used for three of the HMX reaction rates. This improved agreement with experiments at the lower laser fluxes but yielded very fast ignition at high fluxes. The calculated times to ignition are in reasonable agreement with the laser ignition experiments, and this justifies the use of these models for estimating reaction times at impact and shock ''hot spot'' temperatures.

  13. Chemical-decomposition models for the thermal explosion of confined HMX, TATB, RDX, and TNT explosives

    SciTech Connect

    McGuire, R.R.; Tarver, C.M.

    1981-03-26

    Chemical decomposition models have been deduced from the available chemical kinetic data on the thermal decomposition of HMX, TATB, RDX, and TNT. A thermal conduction model is used in which the thermal conductivity of the reacting explosive decreases linearly with the mass fraction reacted to that of the gaseous products. These reactive heat flow models are used to predict the time to explosion versus reciprocal temperature curves from several heavily confined explosive tests. Good agreement is obtained between experimental and calculated explosion times for the pure explosives HMX, TATB, RDX, and TNT, mixtures such as RX-26-AF (HMX/TATB), Octol (HMX/TNT), and Comp B (RDX/TNT), and for PBX 9404, an HMX-based explosive containing an energetic nitrocellulose binder.

  14. Ignition and Growth Modeling of Detonation Reaction Zone Experiments on Single Crystals of PETN and HMX

    NASA Astrophysics Data System (ADS)

    White, Bradley; Tarver, Craig

    2015-06-01

    Fedorov et al. reported nanosecond time resolved interface particle velocity records for detonation reaction zone profiles of single crystals of PETN and HMX with adjoining LiF windows. Von Neumann spike and Chapman-Jouguet pressures were measured, and reaction zone lengths and times wereinferred. The single crystal detonation velocities and von Neumann spike pressures are higher than those measured for heterogeneous PETN and HMX-based explosives pressed to 98-99% theoretical maximum density. Due to the absence of voids, the single crystal detonation reaction zone lengths and times for both PETN and HMX were longer than those for their heterogeneous explosives. Ignition and Growth modeling results are compared to the single crystal PETN and HMX measurements and to previous experimental results for pressed PETN and HMX charges. This work was performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.

  15. Thermomechanical Response of HMX Polycrystals to Simulated Impact Loading

    NASA Astrophysics Data System (ADS)

    Hardin, D.; Rimoli, Julian; Zhou, Min

    2013-06-01

    A framework for analyzing the thermo-mechanical response of ensembles of HMX crystals to impact loading is presented. The effects of material microstructure and anisotropy on heating and stress evolution are investigated. The model accounts for anisotropic elasticity, crystalline plasticity, and thermal conduction. Simulations carried out concern the response of fully dense HMX polycrystalline ensembles under loading at impact velocities from 50 - 400 m/s. Herein, the effect of the inherent anisotropies on the energy and stress localization in an HMX based PBX is quantified. The results show that when local stress and temperature states are critical, such as energetic composites, modeling the crystalline anisotropy of the constituents is essential to capturing the whole range of states experienced by the material.

  16. The great diversity of HMX conformers: probing the potential energy surface using CCSD(T).

    PubMed

    Molt, Robert W; Watson, Thomas; Bazanté, Alexandre P; Bartlett, Rodney J

    2013-04-25

    The octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine (HMX) molecule is a very commonly studied system, in all 3 phases, because of its importance as an explosive; however, no one has ever attempted a systematic study of what all the major gas-phase conformers are. This is critical to a mechanistic study of the kinetics involved, as well as the viability of various crystalline polymorphs based on the gas-phase conformers. We have used existing knowledge of basic cyclooctane chemistry to survey all possible HMX conformers based on its fundamental ring structure. After studying what geometries are possible after second-order many-body perturbation theory (MBPT(2)) geometry optimization, we calculated the energetics using coupled cluster singles, doubles, and perturbative triples (CCSD(T))/cc-pVTZ. These highly accurate energies allow us to better calculate starting points for future mechanistic studies. Additionally, the plethora of structures are compared to existing experimental data of crystals. It is found that the crystal field effect is sometimes large and sometimes small for HMX.

  17. Surface properties of HMX crystal

    NASA Technical Reports Server (NTRS)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  18. Picosecond Dynamics of Shock Compressed and Flash-Heated Nanometer Thick Films of HMX

    NASA Astrophysics Data System (ADS)

    Berg, Christopher; Dlott, Dana

    2013-06-01

    New results are described for probing molecular dynamics of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) subjected to shock compression to a few GPa and/or temperature excursions exceeding thermal decomposition values (T > 500 K). 5-10 nm thick films of δ-HMX were grown on metallic substrates coated with monolayers of 4-nitrothiophenol. Due to shock velocities of a few nm/ps, nanometer thick films allowed picosecond time resolution of shock loading. A plastic polymer layer a few microns in thickness was spin-coated on top of HMX for shock confinement purposes. Both the monolayer and explosive layer were probed utilizing an ultrafast nonlinear coherent vibrational spectroscopy, vibrational sum-frequency generation. Shock compression pressures were estimated via comparison of the monolayer nitro transition frequency shift with static high pressure measurements in a diamond anvil cell. Temperature determinations were based on thermoreflectance measurements of the metallic substrate. Supported by the Stewardship Sciences Academic Alliance Program from the Carnegie-DOE Alliance Center under grant number DOE CIW 4-3253-13 and the US Air Force Office of Scientific Research under award number FAA9550-09-1-0163.

  19. Frictional properties of single crystals HMX, RDX and PETN explosives.

    PubMed

    Wu, Y Q; Huang, F L

    2010-11-15

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations.

  20. Finite element code development for modeling detonation of HMX composites

    NASA Astrophysics Data System (ADS)

    Duran, Adam; Sundararaghavan, Veera

    2015-06-01

    In this talk, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for sod shock and ZND strong detonation models and then used to perform 2D and 3D shock simulations. We will present benchmark problems for geometries in which a single HMX crystal is subjected to a shock condition. Our current progress towards developing microstructural models of HMX/binder composite will also be discussed.

  1. Ignition and Growth Reactive Flow Modeling of Recent HMX/TATB Detonation Experiments

    NASA Astrophysics Data System (ADS)

    Tarver, Craig

    2015-06-01

    Ignition and Growth model parameters for detonating PBX 9501 (95%HMX, 2.5 %Estane, 2.5%BDNPAF) and PBX 9502 (95%TATB, 5%Kel-F800) are used to simulate two experiments in which detonating HMX-based PBX's accelerate slower detonating TATB PBX's. The measured HMX and TATB detonation velocities, the angles produced in the detonating TATB charges by the leading HMX detonation waves, the arrival times of the complex detonation wave front, and the PDV records measured at several positions along the interfaces between the two explosives and LiF windows are accurately calculated. This work was performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.

  2. Compaction Waves in Granular HMX

    SciTech Connect

    E. Kober; R. Menikoff

    1999-01-01

    Piston driven compaction waves in granular HMX are simulated with a two-dimensional continuum mechanics code in which individual grains are resolved. The constitutive properties of the grains are modeled with a hydrostatic pressure and a simple elastic-plastic model for the shear stress. Parameters are chosen to correspond to inert HMX. For a tightly packed random grain distribution (with initial porosity of 19%) we varied the piston velocity to obtain weak partly compacted waves and stronger fully compacted waves. The average stress and wave speed are compatible with the porous Hugoniot locus for uni- axial strain. However, the heterogeneities give rise to stress concentrations, which lead to localized plastic flow. For weak waves, plastic deformation is the dominant dissipative mechanism and leads to dispersed waves that spread out in time. In addition to dispersion, the granular heterogeneities give rise to subgrain spatial variation in the thermodynamic variables. The peaks in the temperature fluctuations, known as hot spots, are in the range such that they are the critical factor for initiation sensitivity.

  3. Dissolution of a new explosive formulation containing TNT and HMX: comparison with octol.

    PubMed

    Monteil-Rivera, Fanny; Deschamps, Stéphane; Ampleman, Guy; Thiboutot, Sonia; Hawari, Jalal

    2010-02-15

    GIM (Greener Insensitive Material) is a new explosive formulation made of HMX (51.5%), TNT (40.7%), and a binder, ETPE (7.8%), which is currently investigated by the Canadian Department of National Defense for a wider use by the Army. In the present study, dissolution of GIM in water was measured and compared to the dissolution of octol (HMX/TNT: 70/30). Although the presence of ETPE did not prevent completely TNT and HMX from dissolving, GIM appeared to dissolve more slowly than octol. The ETPE was shown to prevent the formulation particles from collapsing and to retard the dissolution of both TNT and HMX by limiting their exposure to water. In both octol and GIM, the dissolution rate of the particles was governed by the compound(s) that are slower to dissolve, i.e. HMX in octol, and HMX and ETPE in GIM. A model based on Fick's diffusion law allowed fitting well the dissolution data of octol but was less appropriate to fit the data of GIM likely due to a physical rearrangement of the solid upon dissolution. The present findings demonstrate that ETPE in GIM decreases the risks of explosives leakage from particles of the new formulation and should facilitate the collecting of non-exploded GIM particles in training sites.

  4. Effects of HMX exposure upon metabolic rate of northern bobwhite quail (Colinus virginianus) in ovo.

    PubMed

    Liu, Jun; Cox, Stephen B; Beall, Blake; Brunjes, Kristina J; Pan, Xiaoping; Kendall, Ronald J; Anderson, Todd A; McMurry, Scott T; Cobb, George P; Smith, Philip N

    2008-05-01

    We evaluated the use of the gas exchange rate as an ecologically relevant indicator of chemical stress in avian embryos/eggs. Northern bobwhite quail (Colinus virginianus) were exposed to octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) via feed containing nominal concentrations of 0, 12.5, 50.0, and 125.0 mg kg(-1). Metabolic rates (oxygen consumption) of developing quail eggs were then measured via respirometry to examine potential effects of HMX exposure. Metabolic rates were examined on 5, 9, and 21 d of incubation. Next, concentrations of HMX in embryos/eggs were determined by liquid chromatography-mass spectrometry. Mean (+/-SE) concentrations of HMX in eggs were 21.0+/-5.9, 1113+/-79.0, 3864+/-154.0, and 7426+/-301.1 ng g(-1) in control, low, medium and high dose groups, respectively. There were significant differences in oxygen consumption among the three embryo ages, however differences among the ages were not consistent among dose groups (age x dose group interaction p<0.0001). Oxygen consumption rates did not vary as a function of HMX in embryos (p=0.18). No evidence was observed for alterations of in ovo metabolic rates associated with HMX exposure.

  5. A theoretical study of wave dispersion and thermal conduction for HMX/additive interfaces

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2014-04-01

    The wave dispersion rule for non-uniform material is useful for ultrasonic inspection and engine life prediction, and also is key in achieving an understanding of the energy dissipation and thermal conduction properties of solid material. On the basis of linear response theory and molecular dynamics, we derive a set of formulas for calculating the wave dispersion rate of interface systems, and study four kinds of interfaces inside plastic bonded explosives: HMX/{HMX, TATB, F2312, F2313}. (HMX: octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine; TATB: 1,3,5-triamino-2,4,6-trinitrobenzene; F2312, F2313: fluoropolymers). The wave dispersion rate is obtained over a wide frequency range from kHz to PHz. We find that at low frequency, the rate is proportional to the square of the frequency, and at high frequency, the rate couples with the molecular vibration modes at the interface. By using the results, the thermal conductivities of HMX/additive interfaces are derived, and a physical model is built for describing the total thermal conductivity of mixture explosives, including HMX multi-particle systems and {TATB, F2312, F2313}-coated HMX.

  6. Kinetics of HMX and Phase Transitions: Effects of Grain Size at Elevated Temperature

    SciTech Connect

    Saw, C K

    2002-06-13

    To date a global kinetic rate law has not been written to accurately describe solid-solid phase transformations of HMX and TATB where contributions from grain size effects, binder contents, and impurity levels are explicitly defined. Our recent work presented at the 2001 SCCM topical APS meeting, Atlanta, GA, demonstrated one can not confidently use the second harmonic generation (SHG) diagnostic to study energetic material phase transitions where non-uniform grain size distributions are present. For example, in HMX, the early arrival of SHG before the XRD in the SHG/XRD simultaneous high temperature experiment clearly indicates the partial molecular conversion from centrosymmetric to non-centrosymmetric without any structural changes as exhibit by the XRD pattern. This conversion is attributed to the changes of the surface molecules due to the differences in potential between the surface and the bulk. The present paper reports on accurate XRD measurements following changes of {beta}-HMX to {delta}-HMX at elevated temperature. The results are compared for sample with 2 different grain sizes for HMX. We report accurate temperature dependent lattice parameters and hence volume and linear thermal expansion coefficients along each crystallographic axis. We have also conducted kinetic studies of the behavior of 2 grain-sizes of HMX and concluded that their kinetics, are drastically different.

  7. Dissociative electron attachment to the nitroamine HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine).

    PubMed

    Postler, Johannes; Goulart, Marcelo M; Matias, Carolina; Mauracher, Andreas; Ferreira da Silva, Filipe; Scheier, Paul; Limão-Vieira, Paulo; Denifl, Stephan

    2013-05-01

    In the present study, dissociative electron attachment (DEA) measurements with gas phase HMX, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, C4H8N8O8, have been performed by means of a crossed electron-molecular beam experiment. The most intense signals are observed at 46 and 176 u and assigned to NO2(-) and C3H6N5O4(-), respectively. Anion efficiency curves for 15 negatively charged fragments have been measured in the electron energy region from about 0-20 eV with an energy resolution of ~0.7 eV. Product anions are observed mainly in the low energy region, near 0 eV, arising from surprisingly complex reactions associated with multiple bond cleavages and structural and electronic rearrangement. The remarkable instability of HMX towards electron attachment with virtually zero kinetic energy reflects the highly explosive nature of this compound. Substantially different intensity ratios of resonances for common fragment anions allow distinguishing the nitroamines HMX and royal demolition explosive molecule (RDX) in negative ion mass spectrometry based on free electron capture.

  8. Electronic excitation energies in crystals of PETN, RDX and HMX

    NASA Astrophysics Data System (ADS)

    Mukhanov, A. E.

    2014-05-01

    The key role in the model of detonation based on metallization of an explosive plays a fundamental band gap of a molecular crystal. For determining it in a shocked crystal prerequisite calculation for perfect PETN, RDX, and HMX is performed at 0K. Densities of states for these explosives are obtained and fundamental gaps are determined. Calculations are done within the framework of the Density Functional Theory and its planewave and pseudopotential implementation in the ABINIT package.

  9. Performance of mesophilic anaerobic granules for removal of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from aqueous solution.

    PubMed

    An, Chun-jiang; He, Yan-ling; Huang, Guo-he; Liu, Yong-hong

    2010-07-15

    The performance of mesophilic anaerobic granules to degrade octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) was investigated under various conditions. The results of batch experiments showed that anaerobic granules were capable of removing HMX from aqueous solution with high efficiency. Both biotic and abiotic mechanisms contributed to the removal of HMX by anaerobic granules under mesophilic conditions. Adsorption appeared to play a significant role in the abiotic process. Furthermore, HMX could be biodegraded by anaerobic granules as the sole substrate. After 16 days of incubation, 99.04% and 96.42% of total HMX could be removed by 1g VSS/L acclimated and unacclimated granules, respectively. Vancomycin, an inhibitor of acetogenic bacteria, caused a significant inhibition of HMX biotransformation, while 2-bromoethanesulfonic acid, an inhibitor of methanogenic bacteria, only resulted in a slight decrease of metabolic activity. The presence of the glucose, as a suitable electron donor and carbon source, was found to enhance the degradation of HMX by anaerobic granules. Our study showed that sulfate had little adverse effects on biotransformation of HMX by anaerobic granules. However, nitrate had significant inhibitory effect on the extent of HMX removal especially in the initial period. This study offered good prospects of using high-rate anaerobic technology in the treatment of munition wastewater.

  10. Treatment of HMX and RDX contamination

    SciTech Connect

    Card, R.E. Jr.; Autenrieth, R.

    1998-03-01

    HMX and RDX are often found in the soil, groundwater, and surface waters at facilities where they are manufactured as the result of negligent disposal methods. The toxicity of these compounds and their degradation products has led to concern about their fate in the environment and the potential for human exposure. HMX and RDX are recalcitrant in the environment with low rates of biodegradation and photolysis. Several methods of treating contaminated soils and waters have been developed and studied. Many of these technologies (i.e., carbon adsorption, oxidation, and chemical treatment) have been developed to treat munition plant wastewaters that are contaminated with explosives. These methods need to be adapted to remediate contaminated water. Other technologies such as bioremediation and composting are being developed as methods of remediating HMX and RDX contamination in a solid matrix. This report describes and evaluates each of these technologies. This report also describes the processes which affect HMX and RDX in the environment. The major transformation processes of RDX and HMX in the environment are biodegradation and photolysis. A major factor affecting the transport and treatment of RDX and HMX in soil-water environments is their sorption and desorption to soil particles. Finally, this report draws conclusions as to which treatment methods are currently most suitable for the remediation of contaminated soils and waters.

  11. Pressure wave measurements from thermal cook-off of an HMX based high explosive

    SciTech Connect

    Forbes, J W; Tarver, C M; Urtiew, P A; Garcia, F; Greenwood, D W; Vandersall, K S

    2000-10-10

    A better understanding of thermal cook-off is important for safe handling and storing explosive devices. A number of safety issues exist about what occurs when a cased explosive thermally cooks off. For example, violence of the events as a function of confinement are important for predictions of collateral damage. This paper demonstrates how adjacent materials can be gauged to measure the resulting pressure wave and how this wave propagates in this adjacent material. The output pulse from the thermal cook-off explosive containing fixture is of obvious interest for assessing many scenarios.

  12. Pressure Wave Measurements from Thermal Cook-Off of an HMX Based High Explosive PBX 9501

    SciTech Connect

    Garcia, F; Forbes, J W; Tarver, C M; Urtiew, P A; Greenwood, D W; Vandersall, K S

    2001-05-31

    A better understanding of thermal cook-off is important for safe handling and storing explosive devices. A number of safety issues exist about what occurs when a cased explosive thermally cooks off. For example, violence of the events as a function of confinement are important for predictions of collateral damage. This paper demonstrates how adjacent materials can be gauged to measure the resulting pressure wave and how this wave propagates in this adjacent material. The output pulse from the thermal cook-off explosive containing fixture is of obvious interest for assessing many scenarios.

  13. Deflagration-to-detonation transition in granular HMX

    NASA Technical Reports Server (NTRS)

    Campbell, A. W.

    1980-01-01

    Granular HMX of three degrees of fineness was packed into heavy-walled steel tubes closed at both ends. Ignition was obtained at one end using an intimate mixture of finely divided titanium and boron as an igniter that produced heat with little gas. The distance to detonation was determined by examination of the resulting tube fragments. By inserting tightly-fitted neoprene diaphragms periodically into the HMX column, it was shown that the role of convective combustion was limited to the initial stage of the deflagration to detonation (DDT) process. Experiments in which various combinations of two of the three types of HMX were loaded into the same tube showed that heating by adiabatic shear of explosive grains was an essential factor in the final buildup to detonation. A description of the DDT process is developed in which conductive burning is followed in turn by convective burning, bed collapse with plug formation, onset of accelerated burning at the front of the plug through heating by intercrystalline friction and adiabatic shear, and intense shock formation resulting in high-order detonation.

  14. Damaging HMX/HTPB formulations: In-situ compression imaging using X-ray micro computed tomography

    SciTech Connect

    Patterson, Brian M.; Cordes, Nikolaus Lynn; Tappan, Bryce C.; Thompson, Darla Graff; Manner, Virginia Warren

    2015-04-17

    HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) is a powerful high explosive that is routinely used in formulations such as PBX 9501. Much remains to be learned about the performance and mechanical properties of HMX formulations such as these, particularly after dynamic damage has occurred. We have prepared formulations with HMX using hydroxyl terminated polybutadiene (HTPB) binder in order to form an explosive that is relatively insensitive to mild stimuli, analogous to PBXB-110 (different only is substitution of dioctyladipate (DO) for isodecyl pelargonate).

  15. Steady deflagration of HMX with simple kinetics: A gas phase chain reaction model

    SciTech Connect

    Ward, M.J.; Brewster, M.Q.; Son, S.F.

    1998-08-01

    A new approach is presented for modeling steady combustion of energetic solids, in particular HMX. A simplified, global, gas phase chain reaction kinetic mechanism is employed. Specifically, a zero-order, high activation energy thermal decomposition initiation reaction in the condensed phase followed by a second-order, low activation energy chain reaction in the gas phase is assumed. A closed-form solution is obtained, which is based on the activation energy asymptotics analysis of Lengelle in the condensed phase and the assumption of zero activation energy in the gas phase. Comparisons between the model and a variety of experimental observations over a wide range of pressures and initial temperatures are presented and demonstrate the validity of the approach. The model provides excellent agreement with burning rate data (including sensitivity to pressure and initial temperature) and temperature profile data (in particular the gas phase). This suggests that in the realm of simplified, approximate kinetics modeling of energetic solids, the low gas phase activation energy limit is a more appropriate model than the classical high activation energy limit or heuristic flame sheet models. The model also indicates that the condensed phase reaction zone plays an important role in determining the deflagration rate of HMX, underscoring the need for better understanding of the chemistry in this zone.

  16. Thermal Decomposition Kinetics of HMX

    SciTech Connect

    Burnham, A K; Weese, R K

    2004-11-18

    Nucleation-growth kinetic expressions are derived for thermal decomposition of HMX from a variety of thermal analysis data types, including mass loss for isothermal and constant rate heating in an open pan and heat flow for isothermal and constant rate heating in open and closed pans. Conditions are identified in which thermal runaway is small to nonexistent, which typically means temperatures less than 255 C and heating rates less than 1 C/min. Activation energies are typically in the 140 to 165 kJ/mol range for open pan experiments and about 150 to 165 kJ/mol for sealed pan experiments. Our activation energies tend to be slightly lower than those derived from data supplied by the University of Utah, which we consider the best previous thermal analysis work. The reaction clearly displays more than one process, and most likely three processes, which are most clearly evident in open pan experiments. The reaction is accelerated in closed pan experiments, and one global reaction appears to fit the data well. Comparison of our rate measurements with additional literature sources for open and closed low temperature pyrolysis from Sandia gives a likely activation energy of 165 kJ/mol at 10% conversion.

  17. Thermal Decomposition Kinetics of HMX

    SciTech Connect

    Burnham, A K; Weese, R K

    2005-03-17

    Nucleation-growth kinetic expressions are derived for thermal decomposition of HMX from a variety of types of data, including mass loss for isothermal and constant rate heating in an open pan, and heat flow for isothermal and constant rate heating in open and closed pans. Conditions are identified in which thermal runaway is small to nonexistent, which typically means temperatures less than 255 C and heating rates less than 1 C/min. Activation energies are typically in the 140 to 165 kJ/mol regime for open pan experiments and about 150-165 kJ/mol for sealed-pan experiments. The reaction clearly displays more than one process, and most likely three processes, which are most clearly evident in open pan experiments. The reaction is accelerated for closed pan experiments, and one global reaction fits the data fairly well. Our A-E values lie in the middle of the values given in a compensation-law plot by Brill et al. (1994). Comparison with additional open and closed low temperature pyrolysis experiments support an activation energy of 165 kJ/mol at 10% conversion.

  18. Complete equation of state for [beta]-HMX and implications for initiation

    SciTech Connect

    Sewell, T. D.; Menikoff, Ralph

    2003-01-01

    A thermodynamically consistent equation of state for {beta}-HMX, the stable ambient polymorph of HMX, is developed that fits isothermal compression data and the temperature dependence of the specific heat computed from molecular dynamics. The equation of state is used to assess hot-spot conditions that would result from hydrodynamic pore collapse in a shock-to-detonation transition. The hot-spot temperature is determined as a function of shock strength by solving two Riemann problems in sequence: first for the velocity and density of the jet formed when the shock overtakes the pore, and second for the stagnation state when the jet impacts the far side of the pore. For a shock pressure below 5 GPa, the stagnation temperature from the jet is below the melt temperature at ambient pressure and hence insufficient for rapid reaction. Consequently for weak shocks a dissipation mechanism in addition to shock heating is needed to generate hot spots. When the stagnation temperature is sufficiently high for rapid reaction, the shock emanating from the hot spot is computed, assuming aconstant volume burn. For initial shocks below 20 GPa, the temperature behind the second shock is below 1000K and would not propagate a detonation wave. This analysis, based solely on the equation of state of the explosive, can serve as a check on mesoscale simulations of initiation in a plastic-bonded explosive.

  19. A Molecular Dynamics simulation of Hugoniot curves of HMX using ReaxFF and its application in SPH modeling of macroscale terminal effects

    NASA Astrophysics Data System (ADS)

    Liu, Gui-Rong; Wang, Gangyu; Peng, Qing; de, Suvranu

    2015-06-01

    HMX is a widely used high explosive. Hugoniot curve is a valuable tool for analyzing the equations of state, and is of importance for all energetic materials including HMX. The Hugoniot curves serve as one of the key character in continuum modeling of high explosives. It can be obtained from experimental measurements, and recently also from computational studies. In this study, the Hugoniot curve of HMX is calculated using a multi-scale shock technique via Molecular Dynamics (MD) simulations, where the reactive force field ReaxFF is obtained from Quantum Mechanics calculations and tailored for HMX. It is found that our MD Hugoniot curve of HMX from the optimized ReaxFF potential agree well with experiments. The MD Hugoniot curve of HMX is also incorporated in our in-house Smoothed Particle Hydrodynamics (SPH) code for the modeling of the macro-scale explosive behaviors of HMX explosives and HMX cased in a 3D cylinder. The authors would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant HDTRA1-13-1-0025.

  20. Synthesis and First Principles Investigation of HMX/NMP Cocrystal Explosive

    NASA Astrophysics Data System (ADS)

    Lin, He; Zhu, Shun-Guan; Zhang, Lin; Peng, Xin-Hua; LI, Hong-Zhen

    2013-10-01

    1,3,5,7-Tetranitro-l,3,5,7-tetrazocine (HMX)/N-methyl-2-pyrrolidone (NMP) cocrystal explosive was prepared by a solution evaporation method. This cocrystal explosive crystallized in the trigonal system (space group ? ), with cell parameters a = 16.605(8) Å and c = 31.496(4) Å. Theoretical investigations of the formation mechanism of HMX/NMP cocrystal were carried out in Cambridge serial total energy package (CASTEP) based on dispersion-corrected density functional theory (DFT-D) with a plane wave scheme. The exchange-correlation potential was treated with the Perdew-Burke-Ernzerhof function of generalized gradient approximation, and dispersion force was correlated using Grimme's method. The band structure, density of states, projected density of states, and Mulliken populations were calculated at the generalized gradient approximation level. The results showed that the main host-guest interactions in HMX/NMP cocrystal were hydrogen bonds and stacking interactions, which were the same as those analyzed using X-ray diffraction. Theoretical investigations of HMX/NMP cocrystal explosive may provide the basis for the preparation of cocrystal explosive composed of HMX and energetic materials.

  1. Ultrasonic approach to the synthesis of HMX@TATB core-shell microparticles with improved mechanical sensitivity.

    PubMed

    Huang, Bing; Hao, Xiaofei; Zhang, Haobin; Yang, Zhijian; Ma, Zhigang; Li, Hongzhen; Nie, Fude; Huang, Hui

    2014-07-01

    To improve the safety of sensitive explosive HMX while maintaining explosion performance, a moderately powerful but insensitive explosive TATB was used to coat HMX microparticles via a facile ultrasonic method. By using Estane as surface modifier and nano-sized TATB as the shell layer, the HMX@TATB core-shell microparticles with a monodisperse size and compact shell structure were successfully constructed. Both scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) results confirmed the formation of perfect core-shell structured composites. Based on a systematic and comparative study of the effect of experimental conditions, a possible formation mechanism of core-shell structure was proposed in detail. Moreover, the perfect core-shell HMX@TATB microparticles exhibited a unique thermal behavior and significantly improved mechanical sensitivity compared with that of the physical mixture.

  2. Treatment of HMX-production wastewater in an aerobic granular reactor.

    PubMed

    Zhang, Jin-Hua; Wang, Min-Hui; Zhu, Xiao-Meng

    2013-04-01

    Aerobic granules were applied to the treatment of HMX-production wastewater using a gradual domestication method in a SBR. During the process, the granules showed a good settling ability, a high biomass retention rate, and high biological activity. After 40 days of stable operation, aerobic granular sludge performed very effectively in the removal of carbon and nitrogen compounds from HMX-production wastewater. Organic matter removal rates up to 97.57% and nitrogen removal efficiencies up to 80% were achieved during the process. Researchers conclude that using aerobic granules to treat explosive wastewater has good prospects for success.

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

    SciTech Connect

    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.

  4. Understanding the desensitizing mechanism of olefin in explosives: shear slide of mixed HMX-olefin systems.

    PubMed

    Zhang, Chaoyang; Cao, Xia; Xiang, Bin

    2012-04-01

    We simulated the shear slide behavior of typical mixed HMX-olefin systems and the effect of thickness of olefin layers (4-22 Å) on the behavior at a molecular level by considering two cases: bulk shear and interfacial shear. The results show that: (1) the addition of olefin into HMX can reduce greatly the shear sliding barriers relative to the pure HMX in the two cases, suggesting that the desensitizing mechanism of olefin is controlled dominantly by its good lubricating property; (2) the change of interaction energy in both systoles of shear slide is strongly dominated by van der Waals interaction; and (3) the thickness of olefin layers in the mixed explosives can influence its desensitizing efficiency. That is, the excessive thinness of olefin layers in the mixed explosive systems, for example, several angstroms, can lead to very high sliding barriers.

  5. Analysis of thermally-degrading, confined HMX

    SciTech Connect

    Hobbs, M.L.; Schmitt, R.G.; Renlund, A.M.

    1996-12-01

    The response of a thermally-degrading, confined HMX pellet is analyzed using a Reactive Elastic-Plastic (REP) constitutive model which is founded on the collapse and growth of internal inclusions resulting from physical and chemical processes such as forced displacement, thermal expansion, and/or decomposition. Axial stress predictions compare adequately to data. Deficiencies in the model and future directions are discussed.

  6. Detonation in tungsten-loaded HMX

    SciTech Connect

    Goldstein, S.; Mader, C.L.

    1985-01-01

    The detonation behavior of X-0233, a heavily tungsten-loaded HMX explosive, has been studied using failure diameter measurements, plate dents, and aquarium tests. A model with features resembling those of a weak detonation describe the experimental results. 7 refs., 10 figs.

  7. Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studies.

    PubMed

    Ghosh, Mrinal; Banerjee, Shaibal; Shafeeuulla Khan, Md Abdul; Sikder, Nirmala; Sikder, Arun Kanti

    2016-09-14

    Multiphase growth during crystallization severely affects deliverable output of explosive materials. Appearance and incomplete transformation of metastable phases are a major source of polymorphic impurities. This article presents a methodical and molecular level understanding of the metastable phase transformation mechanism during crystallization of cyclic nitramine explosives, viz. RDX, HMX and CL-20. Instantaneous reverse precipitation yielded metastable γ-HMX and β-CL-20 which undergo solution mediated transformation to the respective thermodynamic forms, β-HMX and ε-CL-20, following 'Ostwald's rule of stages'. However, no metastable phase, anticipated as β-RDX, was evidenced during precipitation of RDX, which rather directly yielded the thermodynamically stable α-phase. The γ→β-HMX and β→ε-CL-20 transformations took 20 and 60 minutes respectively, whereas formation of α-RDX was instantaneous. Density functional calculations were employed to identify the possible transition state conformations and to obtain activation barriers for transformations at wB97XD/6-311++G(d,p)(IEFPCM)//B3LYP/6-311G(d,p) level of theory. The computed activation barriers and lattice energies responsible for transformation of RDX, HMX and CL-20 metastable phases to thermodynamic ones conspicuously supported the experimentally observed order of phase stability. This precise result facilitated an understanding of the occurrence of a relatively more sensitive and less dense β-CL-20 phase in TNT based melt-cast explosive compositions, a persistent and critical problem unanswered in the literature. The crystalline material recovered from such compositions revealed a mixture of β- and ε-CL-20. However, similar compositions of RDX and HMX never showed any metastable phase. The relatively long stability with the highest activation barrier is believed to restrict complete β→ε-CL-20 transformation during processing. Therefore a method is suggested to overcome this issue.

  8. Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studies.

    PubMed

    Ghosh, Mrinal; Banerjee, Shaibal; Shafeeuulla Khan, Md Abdul; Sikder, Nirmala; Sikder, Arun Kanti

    2016-09-14

    Multiphase growth during crystallization severely affects deliverable output of explosive materials. Appearance and incomplete transformation of metastable phases are a major source of polymorphic impurities. This article presents a methodical and molecular level understanding of the metastable phase transformation mechanism during crystallization of cyclic nitramine explosives, viz. RDX, HMX and CL-20. Instantaneous reverse precipitation yielded metastable γ-HMX and β-CL-20 which undergo solution mediated transformation to the respective thermodynamic forms, β-HMX and ε-CL-20, following 'Ostwald's rule of stages'. However, no metastable phase, anticipated as β-RDX, was evidenced during precipitation of RDX, which rather directly yielded the thermodynamically stable α-phase. The γ→β-HMX and β→ε-CL-20 transformations took 20 and 60 minutes respectively, whereas formation of α-RDX was instantaneous. Density functional calculations were employed to identify the possible transition state conformations and to obtain activation barriers for transformations at wB97XD/6-311++G(d,p)(IEFPCM)//B3LYP/6-311G(d,p) level of theory. The computed activation barriers and lattice energies responsible for transformation of RDX, HMX and CL-20 metastable phases to thermodynamic ones conspicuously supported the experimentally observed order of phase stability. This precise result facilitated an understanding of the occurrence of a relatively more sensitive and less dense β-CL-20 phase in TNT based melt-cast explosive compositions, a persistent and critical problem unanswered in the literature. The crystalline material recovered from such compositions revealed a mixture of β- and ε-CL-20. However, similar compositions of RDX and HMX never showed any metastable phase. The relatively long stability with the highest activation barrier is believed to restrict complete β→ε-CL-20 transformation during processing. Therefore a method is suggested to overcome this issue. PMID

  9. On detonation wave front structure of consensed high explosives

    NASA Astrophysics Data System (ADS)

    Fedorov, A. V.; Menshikh, A. V.; Yagodin, N. B.

    1998-07-01

    The present report describes detonation front particle velocity profile measurements for three high explosives (HE). Two were plasticized compositions based on PETN, HMX, and the third a TNT/RDX 50/50 mixture. Measurements were carried out using laser interferometry techniques with few nanosecond time resolution. Particle velocity profiles were recorded at HE-window (lithium fluoride [LiF]) interfaces. The detonation waves were diverging since they developed from a single initiation point. Recorded maximum particle velocities at the LiF window interfaces for PETN, HMX, and TNT/RDX mixture were 2.7 mm/μs, 3.15 mm/μs and 2.6 mm/μs, respectively. Duration of chemical reaction zone for HEs based on PETN and HMX were determined. The results of linear extrapolation of recorded particle velocity to zero time are presented, leading to estimates of von Neumann spike parameters for the PETN and HMX compositions.

  10. Modeling pore collapse and chemical reactions in shock-loaded HMX crystals

    NASA Astrophysics Data System (ADS)

    Austin, R. A.; Barton, N. R.; Howard, W. M.; Fried, L. E.

    2014-05-01

    The localization of deformation in shock-loaded crystals of high explosive material leads to the formation of hot spots, which, if hot enough, initiate chemical reactions. The collapse of microscopic pores contained within a crystal is one such process that localizes energy and generates hot spots. Given the difficulty of resolving the details of pore collapse in shock compression experiments, it is useful to study the problem using direct numerical simulation. In this work, we focus on simulating the shock-induced closure of a single pore in crystalline β-HMX using a multiphysics finite element code. To address coupled thermal-mechanical-chemical responses, the model incorporates a crystal-mechanics-based description of thermoelasto-viscoplasticity, the crystal melting behavior, and transformation kinetics for a single-step decomposition reaction. The model is applied to stress wave amplitudes of up to 11 GPa to study the details of pore collapse, energy localization, and the early stages of reaction initiation.

  11. Microstructural effects on the ignition behavior of HMX

    NASA Astrophysics Data System (ADS)

    Welle, E. J.; Molek, C. D.; Wixom, R. R.; Samuels, P.

    2014-05-01

    The detonation physics community has embraced the idea that initiation of high explosives proceeds from an ignition event through subsequent growth to steady detonation. A weakness of all the commonly used ignition and growth models is that microstructural characteristics are not explicitly incorporated in their ignition and terms. This is the case in spite of a demonstrated, but not well-understood, empirical link between morphology and initiation of energetic materials. Morphological effects have been parametrically studied in many ways, with the majority of efforts focused on establishing a tie between bulk powder metrics and ignition of the pressed beds. More recently, there has been a shift toward characterizing the microstructure of pressed beds in order to understand the underlying mechanisms governing behavior. We have assessed the utility of using a modified James' model as a tool to quantify effects of bed microstructure on ignition behavior. Using this construct, we have studied the ignition behavior of two types of HMX materials in an attempt to quantify effects of microstructure (i.e. mesoscale features) on continuum level ignition behavior. Microstructures of the two HMX materials were characterized using ion bombardment cross sectioning techniques that expose the microstructure of pellets studied in the ignition experiments.

  12. Theoretical Insight into the Influences of Molecular Ratios on Stabilities and Mechanical Properties, Solvent Effect of HMX/FOX-7 Cocrystal Explosive

    NASA Astrophysics Data System (ADS)

    Wei, Yan-Ju; Ren, Fu-De; Shi, Wen-Jing; Zhao, Qi

    2016-10-01

    A molecular dynamics method was employed to study the binding energies of the selected crystal planes of the 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane/1,1-diamino-2,2-dinitroethylene (HMX/FOX-7) cocrystal in different molecular molar ratios. Mechanical properties, densities, and detonation velocities of the cocrystals in different ratios were estimated. The intermolecular interactions and bond dissociation energies (BDEs) of the N-NO2 bond in the HMX:FOX-7 (1:1) complex were calculated using the B3LYP and MP2(full) methods at the 6-311++G (d,p) and 6-311++G(2df,2p) basis sets. Solvent effects on stability are discussed. The results indicate that HMX/FOX-7 cocrystals prefer cocrystalizing in a 1:1 molar ratio, which has good mechanical properties. The N-NO2 bond becomes strong upon the formation of a complex and the sensitivity of HMX might decrease in cocrystals. The sensitivity change of HMX/FOX-7 originates from not only the formation of intermolecular interaction but also the increment in the N-NO2 BDE. HMX/FOX-7 cocrystals exhibit good detonation performance and meet the requirements of high-density energetic materials. Solvents with low dielectric constants may be chosen to obtain stable HMX/FOX-7 cocrystals.

  13. Accumulation of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) in indigenous and agricultural plants grown in HMX-contaminated anti-tank firing-range soil.

    PubMed

    Groom, Carl A; Halasz, Annamaria; Paquet, Louise; Morris, Neil; Olivier, Lucie; Dubois, Charles; Hawari, Jalal

    2002-01-01

    To investigate their potential for phytoremediation, selected agricultural and indigenous terrestrial plants were examined fortheir capacity to accumulate and degrade the explosive octahydro-1 ,3,5,7-tetra nitro-1,3,5,7-tetrazocine (HMX). Plant tissue and soil extracts were analyzed for the presence of HMX and possible degradative metabolites using high-performance liquid chromatography with diode-array UV detection (HPLC-UV), micellar electrokinetic chromatography with diode-array UV detection (MEKC-UV), and HPLC with electrospray ionization mass spectrometry (LC-MS). The pattern of HMX accumulation for alfalfa (Medicago sativa), bush bean (Phaseolus vulgaris), canola (Brassica rapa), wheat (Triticum aestivum), and perennial ryegrass (Loliumperenne) grown in a controlled environment on contaminated soil from an anti-tank firing range was similar to that observed for plants (wild bergamot (Monarda fistulosa), western wheat grass (Agropyron smithii), brome grass (Bromus sitchensis), koeleria (Koeleria gracilis), goldenrod (Solidago sp.), blueberry (Vaccinium sp.), anemone (Anemone sp.), common thistle (Circium vulgare), wax-berry (Symphoricarpos albus), western sage (Artemisia gnaphalodes), and Drummond's milk vetch (Astragalus drummondii)) collected from the range. No direct evidence of plant-mediated HMX (bio)chemical transformation was provided by the available analytical methods. Traces of mononitroso-HMX were found in contaminated soil extracts and were also observed in leaf extracts. The dominant mechanism for HMX translocation and accumulation in foliar tissue was concluded to be aqueous transpirational flux and evaporation. The accumulation of HMX in the leaves of most of the selected species to levels significantly above soil concentration is relevant to the assessment of both phytoremediation potential and environmental risks.

  14. Shock Sensitivity of LX-04 Containing Delta Phase HMX at Elevated Temperatures

    SciTech Connect

    Urtiew, P A; Forbes, J W; Tarver, C M; Vandersall, K S; Garcia, F; Greenwood, D W; Hsu, P C; Maienschein, J L

    2003-07-11

    LX-04 is a widely used HMX-based plastic bonded explosive, which contains 85 weight % HMX and 15 weight % Viton binder. The sensitivity of LX-04 to a single stimulus such as heat, impact, and shock has been previously studied. However, hazard scenarios can involve multiple stimuli, such as heating to temperatures close to thermal explosion conditions followed by fragment impact, producing a shock in the hot explosive. The sensitivity of HMX at elevated temperatures is further complicated by the beta to delta solid-state phase transition, which occurs at approximately 165 C. This paper presents the results of shock initiation experiments conducted with LX-04 preheated to 190 C, as well as density measurements and small scale safety test results of the {delta} phase HMX at room temperature. This work shows that LX-04 at 190 C is more shock sensitive than LX-04 at 150 C or 170 C due to the volume increase during the {beta} to {delta} solid phase transition, which creates more hot spots, and the faster growth of reaction during shock compression.

  15. Accumulation and effects of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) exposure in the green anole (Anolis carolinensis).

    PubMed

    McMurry, S T; Jones, L E; Smith, P N; Cobb, G P; Anderson, T A; Lovern, M B; Cox, S; Pan, X

    2012-03-01

    Environmental contamination by energetic compounds is an increasing international concern, although little is known of their accumulation in and affect on wildlife. Reptiles are often good models for contaminants studies due to natural history traits that increase their potential for exposure. We report a study to assess accumulation and effects of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX, High Melting Explosive) in green anoles (Anolis carolinensis). Acute oral toxicity (LD(50)) was estimated to exceed 2000 mg/kg body weight in adult male and female anoles using a standard up-and-down method. Accumulation of HMX was assessed in adult females via dietary exposure and into eggs by two routes (directly from the soil and via maternal transfer). HMX readily accumulated into adult females in a dose-dependent manner and into eggs following both exposure pathways. However, total HMX in soil-exposed eggs was up to 40-times greater than those exposed via maternal transfer. Although there was a suggestion of an HMX-induced reduction in body weight in adult females, overall there were no effects observed over the 12 week exposure period. The only significant effect on eggs was a 50% reduction in hatching success for eggs exposed to 2000 mg/kg HMX in the soil during incubation. Growth and survival of hatchlings was not affected by HMX exposure. Our results demonstrate that HMX accumulates through the food chain and into eggs from the soil, but likely poses minimal threat to lizards except to hatching success in eggs incubated in soils with HMX levels near maximum environmental concentrations.

  16. Deletion of a conserved regulatory element required for Hmx1 expression in craniofacial mesenchyme in the dumbo rat: a newly identified cause of congenital ear malformation.

    PubMed

    Quina, Lely A; Kuramoto, Takashi; Luquetti, Daniela V; Cox, Timothy C; Serikawa, Tadao; Turner, Eric E

    2012-11-01

    Hmx1 is a homeodomain transcription factor expressed in the developing eye, peripheral ganglia, and branchial arches of avian and mammalian embryos. Recent studies have identified a loss-of-function allele at the HMX1 locus as the causative mutation in the oculo-auricular syndrome (OAS) in humans, characterized by ear and eye malformations. The mouse dumbo (dmbo) mutation, with similar effects on ear and eye development, also results from a loss-of-function mutation in the Hmx1 gene. A recessive dmbo mutation causing ear malformation in rats has been mapped to the chromosomal region containing the Hmx1 gene, but the nature of the causative allele is unknown. Here we show that dumbo rats and mice exhibit similar neonatal ear and eye phenotypes. In midgestation embryos, dumbo rats show a specific loss of Hmx1 expression in neural-crest-derived craniofacial mesenchyme (CM), whereas Hmx1 is expressed normally in retinal progenitors, sensory ganglia and in CM, which is derived from mesoderm. High-throughput resequencing of 1 Mb of rat chromosome 14 from dmbo/dmbo rats, encompassing the Hmx1 locus, reveals numerous divergences from the rat genomic reference sequence, but no coding changes in Hmx1. Fine genetic mapping narrows the dmbo critical region to an interval of ∼410 kb immediately downstream of the Hmx1 transcription unit. Further sequence analysis of this region reveals a 5777-bp deletion located ∼80 kb downstream in dmbo/dmbo rats that is not apparent in 137 other rat strains. The dmbo deletion region contains a highly conserved domain of ∼500 bp, which is a candidate distal enhancer and which exhibits a similar relationship to Hmx genes in all vertebrate species for which data are available. We conclude that the rat dumbo phenotype is likely to result from loss of function of an ultraconserved enhancer specifically regulating Hmx1 expression in neural-crest-derived CM. Dysregulation of Hmx1 expression is thus a candidate mechanism for congenital ear

  17. Kinetics of (beta)(right arrow)(delta) Solid-Solid Phase Transition of HMX

    SciTech Connect

    Weese, R K

    2000-09-01

    In order to calculate the kinetic parameters from DSC data, we have used the generally accepted methods of Bershtein [13]. We have calculated the rate constants for 4 temperatures and the activation energy based on the shift in the transition temperature, {beta} {yields} {delta} for HMX. The values of E{sub a} from this work is 402 kJ/mol compared to previous results by Brill [9] of 204 kJ/mol. Brill and associates measured the phase transition of HMX using FTIR, sodium chloride plates and silicon oil. Given the differences in technique between FTIR and DSC the results found in this work are reasonable. In this investigation a large sample set (16) proved to be statistically valid for the determinations of k. Linear regressions were performed, observed and good fits were obtained, for each temperature. The enthalpy determination of {Delta}H{sub o}, for the {beta} {yields} {delta} phase transition was reproducible with in 3 parts in 100 over the range of this experiment. Thus, the data derived from this experiment k, E{sub a}, and {Delta}H{sub o} are valid parameters for the solid-solid phase transition. Obtaining pure {beta} phase HMX was very important for this investigation. Related to the phase change is the particle size distribution and is presented in Figure 3. Compared to previous work on HMX, this study utilized very pure {beta} phase material. In addition, the particle size was controlled more rigorously at about 160 {micro}m, giving a more consistent result for {alpha}. Thus, these kinetic results should have less scatter than results with less control of HMX purity and particle size. The kinetic basis of the polymorphic conversion is due to the cohesive forces in the HMX crystal lattice [21]. The energy required to bring about change from chair to chair-chair conformation has been reported by Brill [21] as ring torsion and is essentially a normal mode of the molecule that requires about 4 kJ mol{sup -1}. For the purpose of this investigation the energy

  18. Remediation of RDX- and HMX-contaminated groundwater using organic mulch permeable reactive barriers.

    PubMed

    Ahmad, Farrukh; Schnitker, Stephen P; Newell, Charles J

    2007-02-20

    Organic mulch is a complex organic material that is typically populated with its own consortium of microorganisms. The organisms in mulch breakdown complex organics to soluble carbon, which can then be used by these and other microorganisms as an electron donor for treating RDX and HMX via reductive pathways. A bench-scale treatability study with organic mulch was conducted for the treatment of RDX- and HMX-contaminated groundwater obtained from a plume at the Pueblo Chemical Depot (PCD) in Pueblo, Colorado. The site-specific cleanup criteria of 0.55 ppb RDX and 602 ppb HMX were used as the logical goals of the study. Column flow-through tests were run to steady-state at the average site seepage velocity, using a 70%:30% (vol.:vol.) mulch:pea gravel packing to approach the formation's permeability. Significant results included: (1) Complete removal of 90 ppb influent RDX and 8 ppb influent HMX in steady-state mulch column effluent; (2) pseudo-first-order steady-state kinetic rate constant, k, of 0.20 to 0.27 h(-1) based on RDX data, using triplicate parallel column runs; (3) accumulation of reduced RDX intermediates in the steady-state column effluent at less than 2% of the influent RDX mass; (4) no binding of RDX to the column fill material; and (5) no leaching of RDX, HMX or reduction intermediates from the column fill material. The results of the bench-scale study will be used to design and implement a pilot-scale organic mulch/pea gravel permeable reactive barrier (PRB) at the site.

  19. Remediation of RDX- and HMX-contaminated groundwater using organic mulch permeable reactive barriers

    NASA Astrophysics Data System (ADS)

    Ahmad, Farrukh; Schnitker, Stephen P.; Newell, Charles J.

    2007-02-01

    Organic mulch is a complex organic material that is typically populated with its own consortium of microorganisms. The organisms in mulch breakdown complex organics to soluble carbon, which can then be used by these and other microorganisms as an electron donor for treating RDX and HMX via reductive pathways. A bench-scale treatability study with organic mulch was conducted for the treatment of RDX- and HMX-contaminated groundwater obtained from a plume at the Pueblo Chemical Depot (PCD) in Pueblo, Colorado. The site-specific cleanup criteria of 0.55 ppb RDX and 602 ppb HMX were used as the logical goals of the study. Column flow-through tests were run to steady-state at the average site seepage velocity, using a 70%:30% (vol.:vol.) mulch:pea gravel packing to approach the formation's permeability. Significant results included: (1) Complete removal of 90 ppb influent RDX and 8 ppb influent HMX in steady-state mulch column effluent; (2) pseudo-first-order steady-state kinetic rate constant, k, of 0.20 to 0.27 h - 1 based on RDX data, using triplicate parallel column runs; (3) accumulation of reduced RDX intermediates in the steady-state column effluent at less than 2% of the influent RDX mass; (4) no binding of RDX to the column fill material; and (5) no leaching of RDX, HMX or reduction intermediates from the column fill material. The results of the bench-scale study will be used to design and implement a pilot-scale organic mulch/pea gravel permeable reactive barrier (PRB) at the site.

  20. Synthesis, thermolysis, and sensitivities of HMX/NC energetic nanocomposites.

    PubMed

    Wang, Yi; Song, Xiaolan; Song, Dan; Liang, Li; An, Chongwei; Wang, Jingyu

    2016-07-15

    1,3,5,7-Tetranittro-1,3,5,7-tetrazocane/nitrocellulose (HMX/NC) nanocomposites were successfully synthesized by an improved sol-gel-supercritical method. NC nanoparticles with a size of ∼30nm were cross-linked to form a network structure, and HMX nanoparticles were imbedded in the nano-NC matrix. The key factors, i.e., the selection of catalyst and solvent, were probed. No phase transformation of the HMX occurred before or after fabrication, and the molecular structures of the HMX and NC did not change. Thermal analyses were performed, and the kinetic and thermodynamic parameters, such as activation energy (EK), per-exponent factor (lnAK), rate constant (k), activation heat (ΔH(≠)), activation free energy (ΔG(≠)), activation entropy (ΔS(≠)), critical temperature of thermal explosion (Tb), and critical heating rate of thermal explosion (dT/dt)Tb, were calculated. The results indicate that HMX/NC presented a much lower activation energy (165.03kJ/mol) than raw HMX (282.5kJ/mol) or raw NC (175.51kJ/mol). The chemical potential (ΔG(≠)) for the thermal decomposition of HMX/NC has a positive value, which means that the activation of the molecules would not proceed spontaneously. The significantly lower ΔH(≠) value of HMX/NC, which represents the heat needed to be absorbed by an explosive molecule to change it from its initial state to an activated state, implies that the molecules of HMX/NC are much easier to be activated than those of raw HMX. Similarly, the HMX/NC presented a much lower Tb (168.2°C) than raw HMX (283.2°C). From the results of the sensitivity tests, the impact and friction sensitivities of HMX/NC were significantly decreased compared with those of raw HMX, but the thermal sensitivity was distinctly higher. The activation of the particles under external stimulation was simulated, and the mechanism was found to be crucial. Combining the thermodynamic parameters, the mechanism as determined from the results of the sensitivity tests was

  1. Optimized Synthesis of HMX Nanoparticles Using Antisolvent Precipitation Method

    NASA Astrophysics Data System (ADS)

    Kumar, Raj; Siril, Prem Felix; Soni, Pramod

    2015-10-01

    Nanoparticles of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) were prepared by an antisolvent precipitation method. The effect of different experimental parameters such as temperature of antisolvent and concentration of solution on particle size of nano-HMX was studied systematically. A higher temperature (70°C) of the antisolvent and lower concentration of HMX in acetone (5 mM) favored the formation of smaller particles. Average particle size ranged from 30 to 128 nm under different experimental conditions. Nano-HMX was characterized using dynamic light scattering (DLS), field emission scanning electron microscopy (FESEM), ultraviolet-visible spectrophotometry, powder X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and thermogravimetric analysis coupled with differential scanning calorimetry (TGA-DSC). FTIR, XRD, and TGA-DSC studies revealed that the nano-HMX was in the β-polymorphic form.

  2. Modeling compaction-induced energy dissipation of granular HMX

    SciTech Connect

    Gonthier, K.A.; Menikoff, R.; Son, S.F.; Asay, B.W.

    1998-12-31

    A thermodynamically consistent model is developed for the compaction of granular solids. The model is an extension of the single phase limit of two-phase continuum models used to describe Deflagration-to-Detonation Transition (DDT) experiments. The focus is on the energetics and dissipation of the compaction process. Changes in volume fraction are partitioned into reversible and irreversible components. Unlike conventional DDT models, the model is applicable from the quasi-static to dynamic compaction regimes for elastic, plastic, or brittle materials. When applied to the compaction of granular HMX (a brittle material), the model predicts results commensurate with experiments including stress relaxation, hysteresis, and energy dissipation. The model provides a suitable starting point for the development of thermal energy localization sub-scale models based on compaction-induced dissipation.

  3. Interferometer Studies Of Grain Burning Behavior In HMX Explosive

    NASA Astrophysics Data System (ADS)

    Benson, D. A.; Baer, M. R.

    1984-01-01

    A laser interferometer is used in experiments which probe the thermal initiation and burning of explosives on a microsecond time scale prior to detonation. In this work, small charges of HMX are confined by a piston in a steel chamber bore and thermally initiated with a foil on one surface of the chamber which is suddenly heated by a capacitor discharge. The burn process is observed through the motion of a piston which is driven by the gaseous combustion products. An air-delay leg VISAR velocity interferometer system is used to monitor the piston motion. This velocity data is directly processed to determine the chamber gas pressure as a function of volume during the piston expansion. High-pressure burn rates during deflagration can be deduced from these tests. Parasitic effects in small charge experiments due to thermal conduction from the walls, piston leakage, friction, as well as the interferometer resolution itself are discussed.

  4. Low energy ignition of HMX using a foil bridge

    SciTech Connect

    Ewick, D.W.

    1986-01-01

    The use of an etched foil bridge to initiate the deflagration of high-density HMX is described. Two foil bridges were evaluated, each having a cross-sectional area approximately equal to that of a 0.0034-in. diameter bridgewire. One foil was 0.11 in. wide and 0.0008 in. thick; the other was 0.022 in. wide and 0.0004 in. thick. The all-fire current for the 0.022-in. wide foil bridge was roughly 15% greater than that of the 0.011-in. wide foil, which in turn was approximately 7% greater than the round wire bridge. The no-fire current for the 0.022-in. wide foil bridge was roughly 26% greater than that of the 0.011-in. wide foil, which in turn was approximately 10% greater than the round wire bridge. 7 refs., 4 figs., 3 tabs.

  5. How does low temperature coupled with different pressures affect initiation mechanisms and subsequent decompositions in nitramine explosive HMX?

    PubMed

    Wu, Qiong; Xiong, Guolin; Zhu, Weihua; Xiao, Heming

    2015-09-21

    We have performed ab initio molecular dynamics simulations to study coupling effects of temperature (534-873 K) and pressure (1-20 GPa) on the initiation mechanisms and subsequent chemical decompositions of nitramine explosive 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). A new initiation decomposition mechanism of HMX was found to be the unimolecular C-H bond breaking, and this mechanism was independent of the coupling effects of different temperatures and pressures. The formed hydrogen radicals could promote subsequent decompositions of HMX. Subsequent decompositions were very sensitive to the pressure at low temperatures (534 and 608 K), while the temperature became the foremost factor that affected the decomposition at a high temperature (873 K) instead of the pressure. Our study may provide a new insight into understanding the coupling effects of the temperature and pressure on the initiation decomposition mechanisms of nitramine explosives.

  6. The fate and transport of RDX, HMX, TNT and DNT in the volcanic soils of Hawaii: a laboratory and modeling study.

    PubMed

    Alavi, Ghasem; Chung, Mel; Lichwa, Joseph; D'Alessio, Matteo; Ray, Chittaranjan

    2011-01-30

    The adsorption and degradation behavior of RDX, HMX, TNT and DNT and the impact of pH, ionic strength and dissolved organic matter on sorption were examined for two volcanic soils of a former military training area on Hawaii Island, Hawaii, USA. The transport of these chemicals in the soil was also studied in small packed columns and simulated using a water-flow and solute-transport model, HYDRUS_1D. The results show that HMX and RDX are both significantly more mobile than TNT and DNT. The adsorbability of the four chemicals was ranked as: RDX<HMXHMX>RDX>DNT>TNT. No significant trend was observed for the effect of ionic strength, pH and dissolved organic carbon (DOC) on the adsorption of explosive compounds within the concentrations and pH ranges evaluated. The simulation results show that TNT and DNT would not leach beyond a depth of 30cm soil profile whereas a significant amount of HMX and RDX would pass the 30cm depth. It seems that the risk for contamination of groundwater is much higher for both HMX and RDX than for DNT and TNT as the substratum in this area consists of highly permeable lavas.

  7. Food avoidance behavior to dietary octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) exposure in the northern bobwhite (Colinusvirginianus).

    PubMed

    Johnson, Mark S; Gogal, Robert M; Larsen, Calvert T

    2005-08-13

    High-melting explosive (HMX; octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) is a widely utilized explosive component of munitions used by the military. Consequently, production and use through testing and training at military installations has resulted in deposition of HMX in soil. Since these areas are often used by birds, the oral toxicity of HMX exposure to northern bobwhite (Colinus virginianus) was evaluated. Attempts to determine the acute lethal dose were unsuccessful. Initially, 8 birds (1 male/1 female per dose group) were orally dosed at levels ranging from 125 to 2125 mg HMX/kg body weight. A single death at the midrange resulted in subsequent trials of oral doses up to 10,760 mg/kg body weight. Only a single death occurred at 7173 mg/kg. A subsequent 28-d feeding study was then conducted to evaluate the potential for toxicity resulting from repetitive oral exposures. Northern bobwhite were exposed to concentrations of HMX in feed of either 10000, 1000, 100, or 0 mg/kg. These exposures resulted in a clear concentration-related reduction in feed consumption and body mass. Reductions in egg production in females were correlated with changes in body mass and feed consumption. Other physiological indicators were consistent with a considerable reduction in feed intake. These results suggest that HMX concentration is responsible for intense feed aversion behavior and thus not likely a factor that would appreciably contribute to risk for wild birds at military ranges.

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

    DOEpatents

    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.

  9. A direct method to calculate thermal conductivity and its application in solid HMX.

    PubMed

    Long, Y; Chen, J; Liu, Y G; Nie, F D; Sun, J S

    2010-05-12

    The calculation of thermal conductivity for complex material systems is a challenging problem in computational materials science. Its key point is to calculate heat flux. In this work, we derive a concise formula for this purpose based on the equation of motion and then use it to study the thermal conduction properties of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), which is a widely used plastic-bonded explosive (PBX). The results are in fair agreement with experiments and show a distinct thermal conduction anisotropy for HMX single crystals. Then we investigate some key issues of thermal conductivity, such as its temperature-dependence and composition-dependence. A series of interesting results are obtained.

  10. Reflection terahertz time-domain spectroscopy of RDX and HMX explosives

    NASA Astrophysics Data System (ADS)

    Choi, Kyujin; Hong, Taeyoon; Ik Sim, Kyung; Ha, Taewoo; Cheol Park, Byung; Hyuk Chung, Jin; Gyeong Cho, Soo; Hoon Kim, Jae

    2014-01-01

    We report on our study of RDX and HMX, two of the most commonly used explosive materials, in bulk pellets with reflection terahertz time-domain spectroscopy in the frequency range of 0.3-3 THz. The maximum entropy method was utilized to correct our raw reflection data against the phase error due to the relative displacement between the sample and the reference. Both the refractive index n and the extinction coefficient k in the terahertz region were acquired for these two explosives without a Kramers-Kronig analysis. Both RDX and HMX exhibit a series of distinct peaks not quite detectable in the more conventional transmission-type measurements due to their high terahertz absorptivity. Our results are compared with the literature data on powder samples.

  11. Porous HMX initiation studies -- Sugar as an inert simulant

    SciTech Connect

    Sheffield, S.A.; Gustavsen, R.L.; Alcon, R.R.

    1997-11-01

    For several years the authors have been using magnetic particle velocity gauges to study the shock loading of porous HMX (65 and 73% TMD) of different particle sizes to determine their compaction and initiation characteristics. Because it has been difficult to separate the effects of compaction and reaction, an inert simulant was needed with properties similar to HMX. Sugar was selected as the simulant for several reasons: (1) the particle size distribution of C and H granulated sugar is similar to the coarse HMX the authors have been using (120 {micro}m average size), (2) the particle size of C and H confectioners (powdered) sugar is similar to the fine HMX in the studies (10 {micro}m average size), (3) it is an organic material, and (4) sugar was readily available. Because the densities of HMX and sugar are somewhat different, the authors chose to do the experiments on sugar compacts at 65 and 73% TMD. As expected, no reaction was observed in the sugar experiments. Compaction wave profiles were similar to those measured earlier for the HMX, i.e., the compaction waves in the coarse sugar were quite disperse while those in the fine sugar were much sharper. This indicates that the compaction wave profiles are controlled by particle size and not reaction. Also, the coarse sugar gauge signals exhibited a great deal of noise, thought to the be result of fracto-emission.

  12. Trace Detection of RDX, HMX and PETN Explosives Using a Fluorescence Spot Sensor

    NASA Astrophysics Data System (ADS)

    Wang, Chen; Huang, Helin; Bunes, Benjamin R.; Wu, Na; Xu, Miao; Yang, Xiaomei; Yu, Li; Zang, Ling

    2016-05-01

    1,3,5-trinitroperhydro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and pentaerythritol tetranitrate (PETN), the major components in plastic explosives, pose a significant threat to public safety. A quick, sensitive, and low-cost detection method for these non-volatile explosives is eagerly demanded. Here we present a fluo-spot approach, which can be employed for in situ detection of trace amount of explosives. The sensor molecule is a charge-transfer fluorophore, DCM, which is strongly fluorescent in its pristine state, but non-fluorescent after the quick reaction with NO2· (or NO2+) generated from the UV photolysis of RDX, HMX (or PETN). When fabricated within silica gel TLC plate, the fluo-spot sensor features high sensitivity owing to the large surface area and porous structure of the substrate. The sensor reaction mechanism was verified by various experimental characterizations, including chromatography, UV-Vis absorption and fluorescence spectroscopy, MS and 1H NMR spectrometry. The fluo-spot also demonstrated high selectivity towards RDX, HMX and PETN, as no significant fluorescence quenching was observed for other chemical compounds including common nitro-aromatic explosives and inorganic oxidative compounds. The DCM sensor can also be used as an economical spray kit to directly spot the explosives by naked eyes, implying great potential for quick, low-cost trace explosives detection.

  13. Trace Detection of RDX, HMX and PETN Explosives Using a Fluorescence Spot Sensor.

    PubMed

    Wang, Chen; Huang, Helin; Bunes, Benjamin R; Wu, Na; Xu, Miao; Yang, Xiaomei; Yu, Li; Zang, Ling

    2016-01-01

    1,3,5-trinitroperhydro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and pentaerythritol tetranitrate (PETN), the major components in plastic explosives, pose a significant threat to public safety. A quick, sensitive, and low-cost detection method for these non-volatile explosives is eagerly demanded. Here we present a fluo-spot approach, which can be employed for in situ detection of trace amount of explosives. The sensor molecule is a charge-transfer fluorophore, DCM, which is strongly fluorescent in its pristine state, but non-fluorescent after the quick reaction with NO2· (or NO2(+)) generated from the UV photolysis of RDX, HMX (or PETN). When fabricated within silica gel TLC plate, the fluo-spot sensor features high sensitivity owing to the large surface area and porous structure of the substrate. The sensor reaction mechanism was verified by various experimental characterizations, including chromatography, UV-Vis absorption and fluorescence spectroscopy, MS and (1)H NMR spectrometry. The fluo-spot also demonstrated high selectivity towards RDX, HMX and PETN, as no significant fluorescence quenching was observed for other chemical compounds including common nitro-aromatic explosives and inorganic oxidative compounds. The DCM sensor can also be used as an economical spray kit to directly spot the explosives by naked eyes, implying great potential for quick, low-cost trace explosives detection. PMID:27146290

  14. Trace Detection of RDX, HMX and PETN Explosives Using a Fluorescence Spot Sensor

    PubMed Central

    Wang, Chen; Huang, Helin; Bunes, Benjamin R.; Wu, Na; Xu, Miao; Yang, Xiaomei; Yu, Li; Zang, Ling

    2016-01-01

    1,3,5-trinitroperhydro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and pentaerythritol tetranitrate (PETN), the major components in plastic explosives, pose a significant threat to public safety. A quick, sensitive, and low-cost detection method for these non-volatile explosives is eagerly demanded. Here we present a fluo-spot approach, which can be employed for in situ detection of trace amount of explosives. The sensor molecule is a charge-transfer fluorophore, DCM, which is strongly fluorescent in its pristine state, but non-fluorescent after the quick reaction with NO2· (or NO2+) generated from the UV photolysis of RDX, HMX (or PETN). When fabricated within silica gel TLC plate, the fluo-spot sensor features high sensitivity owing to the large surface area and porous structure of the substrate. The sensor reaction mechanism was verified by various experimental characterizations, including chromatography, UV-Vis absorption and fluorescence spectroscopy, MS and 1H NMR spectrometry. The fluo-spot also demonstrated high selectivity towards RDX, HMX and PETN, as no significant fluorescence quenching was observed for other chemical compounds including common nitro-aromatic explosives and inorganic oxidative compounds. The DCM sensor can also be used as an economical spray kit to directly spot the explosives by naked eyes, implying great potential for quick, low-cost trace explosives detection. PMID:27146290

  15. Kinetics of HMX and CP Decomposition and Their Extrapolation for Lifetime Assessment

    SciTech Connect

    Burnham, A K; Weese, R K; Andrzejewski, W J

    2004-11-18

    Decomposition kinetics are determined for HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and CP (2-(5-cyanotetrazalato) pentaammine cobalt (III) perchlorate) separately and together. For high levels of thermal stress, the two materials decompose faster as a mixture than individually. This effect is observed both in high-temperature thermal analysis experiments and in long-term thermal aging experiments. An Arrhenius plot of the 10% level of HMX decomposition by itself from a diverse set of experiments is linear from 120 to 260 C, with an apparent activation energy of 165 kJ/mol. Similar but less extensive thermal analysis data for the mixture suggests a slightly lower activation energy for the mixture, and an analogous extrapolation is consistent with the amount of gas observed in the long-term detonator aging experiments, which is about 30 times greater than expected from HMX by itself for 50 months at 100 C. Even with this acceleration, however, it would take {approx}10,000 years to achieve 10% decomposition at {approx}30 C. Correspondingly, negligible decomposition is predicted by this kinetic model for a few decades aging at temperatures slightly above ambient. This prediction is consistent with additional sealed-tube aging experiments at 100-120 C, which are estimated to have an effective thermal dose greater than that from decades of exposure to temperatures slightly above ambient.

  16. Kinetics of HMX and CP Decomposition and Their Extrapolation for Lifetime Assessment

    SciTech Connect

    Burnham, A K; Weese, R K; Andrzejewski, W J

    2005-03-10

    Decomposition kinetics are determined for HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and CP (2-(5-cyanotetrazalato) pentaammine cobalt (III) perchlorate) separately and together. For high levels of thermal stress, the two materials decompose faster as a mixture than individually. This effect is observed both in high-temperature thermal analysis experiments and in long-term thermal aging experiments. An Arrhenius plot of the 10% level of HMX decomposition by itself from a diverse set of experiments is linear from 120 to 260 C, with an apparent activation energy of 165 kJ/mol. Similar but less extensive thermal analysis data for the mixture suggests a slightly lower activation energy for the mixture, and an analogous extrapolation is consistent with the amount of gas observed in the long-term detonator aging experiments, which is about 30 times greater than expected from HMX by itself for 50 months at 100 C. Even with this acceleration, however, it would take {approx}10,000 years to achieve 10% decomposition at {approx}30 C. Correspondingly, negligible decomposition is predicted by this kinetic model for a few decades aging at temperatures slightly above ambient. This prediction is consistent with additional sealed-tube aging experiments at 100-120 C, which are estimated to have an effective thermal dose greater than that from decades of exposure to temperatures slightly above ambient.

  17. Physico-chemical measurements of CL-20 for environmental applications. Comparison with RDX and HMX.

    PubMed

    Monteil-Rivera, Fanny; Paquet, Louise; Deschamps, Stéphane; Balakrishnan, Vimal K; Beaulieu, Chantale; Hawari, Jalal

    2004-01-30

    CL-20 is a polycyclic energetic nitramine, which may soon replace the monocyclic nitramines RDX and HMX, because of its superior explosive performance. Therefore, to predict its environmental fate, analytical and physico-chemical data must be made available. An HPLC technique was thus developed to measure CL-20 in soil samples based on the US Environmental Protection Agency method 8330. We found that the soil water content and aging (21 days) had no effect on the recoveries (>92%) of CL-20, provided that the extracts were kept acidic (pH 3). The aqueous solubility of CL-20 was poor (3.6 mg l(-1) at 25 degrees C) and increased with temperature to reach 18.5 mg l(-1) at 60 degrees C. The octanol-water partition coefficient of CL-20 (log KOW = 1.92) was higher than that of RDX (log KOW = 0.90) and HMX (log KOW = 0.16), indicating its higher affinity to organic matter. Finally, CL-20 was found to decompose in non-acidified water upon contact with glass containers to give NO2- (2 equiv.), N2O (2 equiv.), and HCOO- (2 equiv.). The experimental findings suggest that CL-20 should be less persistent in the environment than RDX and HMX. PMID:14753679

  18. Physico-chemical measurements of CL-20 for environmental applications. Comparison with RDX and HMX.

    PubMed

    Monteil-Rivera, Fanny; Paquet, Louise; Deschamps, Stéphane; Balakrishnan, Vimal K; Beaulieu, Chantale; Hawari, Jalal

    2004-01-30

    CL-20 is a polycyclic energetic nitramine, which may soon replace the monocyclic nitramines RDX and HMX, because of its superior explosive performance. Therefore, to predict its environmental fate, analytical and physico-chemical data must be made available. An HPLC technique was thus developed to measure CL-20 in soil samples based on the US Environmental Protection Agency method 8330. We found that the soil water content and aging (21 days) had no effect on the recoveries (>92%) of CL-20, provided that the extracts were kept acidic (pH 3). The aqueous solubility of CL-20 was poor (3.6 mg l(-1) at 25 degrees C) and increased with temperature to reach 18.5 mg l(-1) at 60 degrees C. The octanol-water partition coefficient of CL-20 (log KOW = 1.92) was higher than that of RDX (log KOW = 0.90) and HMX (log KOW = 0.16), indicating its higher affinity to organic matter. Finally, CL-20 was found to decompose in non-acidified water upon contact with glass containers to give NO2- (2 equiv.), N2O (2 equiv.), and HCOO- (2 equiv.). The experimental findings suggest that CL-20 should be less persistent in the environment than RDX and HMX.

  19. The Anisotropic Dynamic Response of Ultrafast Shocked Single Crystal PETN and Beta-HMX

    NASA Astrophysics Data System (ADS)

    Zaug, Joseph; Armstrong, Michael; Crowhurst, Jonathan; Austin, Ryan; Ferranti, Louis; Fried, Laurence; Bastea, Sorin

    2015-06-01

    We report results from ultrafast shockwave experiments conducted on single crystal high explosives. Experimental results consist of 12 picosecond time-resolved dynamic response wave profile data, (ultrafast time-domain interferometry-TDI), which are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. In addition, here we present unreacted equations of state data from PETN and beta-HMX up to higher pressures than previously reported, which are used to extend the predictive confidence of hydrodynamic simulations. Our previous results derived from a 360 ps drive duration yielded anisotropic elastic wave response in single crystal beta-HMX ((110) and (010) impact planes). Here we provide results using a 3x longer drive duration to probe the plastic response regime of these materials. We compare our ultrafast time domain interferometry (TDI) results with previous gun platform results. Ultrafast time scale resolution TDI measurements further guide the development of continuum models aimed to study pore collapse and energy localization in shock-compressed crystals of beta-HMX. This work was performed under the auspices of the U.S. Department of Energy jointly by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  20. Thermal Decomposition Behaviors and Burning Characteristics of AN/Nitramine-Based Composite Propellant

    NASA Astrophysics Data System (ADS)

    Naya, Tomoki; Kohga, Makoto

    2015-04-01

    Ammonium nitrate (AN) has attracted much attention due to its clean burning nature as an oxidizer. However, an AN-based composite propellant has the disadvantages of low burning rate and poor ignitability. In this study, we added nitramine of cyclotrimethylene trinitramine (RDX) or cyclotetramethylene tetranitramine (HMX) as a high-energy material to AN propellants to overcome these disadvantages. The thermal decomposition and burning rate characteristics of the prepared propellants were examined as the ratio of AN and nitramine was varied. In the thermal decomposition process, AN/RDX propellants showed unique mass loss peaks in the lower temperature range that were not observed for AN or RDX propellants alone. AN and RDX decomposed continuously as an almost single oxidizer in the AN/RDX propellant. In contrast, AN/HMX propellants exhibited thermal decomposition characteristics similar to those of AN and HMX, which decomposed almost separately in the thermal decomposition of the AN/HMX propellant. The ignitability was improved and the burning rate increased by the addition of nitramine for both AN/RDX and AN/HMX propellants. The increased burning rates of AN/RDX propellants were greater than those of AN/HMX. The difference in the thermal decomposition and burning characteristics was caused by the interaction between AN and RDX.

  1. Modeling pore collapse and chemical reactions in shock-loaded HMX crystals

    NASA Astrophysics Data System (ADS)

    Austin, Ryan; Barton, Nathan; Howard, William; Fried, Laurence

    2013-06-01

    The collapse of micron-sized pores in crystalline high explosives is the primary route to initiating thermal decomposition reactions under shock wave loading. Given the difficulty of resolving such processes in experiments, it is useful to study pore collapse using numerical simulation. A significant challenge that is encountered in such calculations is accounting for anisotropic mechanical responses and the effects of highly exothermic chemical reactions. In this work, we focus on simulating the shock-wave-induced collapse of a single pore in crystalline HMX using a multiphysics finite element code (ALE3D). The constitutive model set includes a crystal-mechanics-based model of thermoelasto-viscoplasticity and a single-step decomposition reaction with empirically determined kinetics. The model is exercised for shock stresses up to ~10 GPa to study the localization of energy about the collapsing pore and the early stages of reaction initiation. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-ABS-618941).

  2. Deflagration to detonation experiments in granular HMX

    SciTech Connect

    Burnside, N.J.; Son, S.F.; Asay, B.W.; Dickson, P.M.

    1998-03-01

    In this paper the authors report on continuing work involving a series of deflagration-to-detonation transition (DDT) experiments in which they study the piston-initiated DDT of heavily confined granular cyclotetramethylenetetranitramine (HMX). These experiments were designed to he useful in model development and evaluation. A main focus of these experiments is the effect of density on the DDT event. Particle size distribution and morphology are carefully characterized. In this paper they present recent surface area analysis. Earlier studies demonstrated extensive fracturing and agglomeration in samples at densities as low as 75% TMD as evidenced by dramatic decreases in particle size distribution due to mild stimulus. This is qualitatively confirmed with SEM images and quantitatively studied with gas absorption surface area analysis. Also, in this paper they present initial results using a microwave interferometer technique. Dynamic calibration of the technique was performed, a 35 GHz signal is used to increase resolution, and the system has been designed to be inexpensive for repeated experiments. The distance to where deformation of the inner wall begins for various densities is reported. This result is compared with the microwave interferometer measurements.

  3. Fungal heme oxygenases: Functional expression and characterization of Hmx1 from Saccharomyces cerevisiae and CaHmx1 from Candida albicans.

    PubMed

    Kim, Donghak; Yukl, Erik T; Moënne-Loccoz, Pierre; Montellano, Paul R Ortiz de

    2006-12-12

    Heme oxygenases convert heme to free iron, CO, and biliverdin. Saccharomyces cerevisiae and Candida albicans express putative heme oxygenases that are required for the acquisition of iron from heme, a critical process for fungal survival and virulence. The putative heme oxygenases Hmx1 and CaHmx1 from S. cerevisiae and C. albicans, respectively, minus the sequences coding for C-terminal membrane-binding domains, have been expressed in Escherichia coli. The C-terminal His-tagged, truncated enzymes are obtained as soluble, active proteins. Purified ferric Hmx1 and CaHmx1 have Soret absorption maxima at 404 and 410 nm, respectively. The apparent heme binding Kd values for Hmx1 and CaHmx1 are 0.34 +/- 0.09 microM and 1.0 +/- 0.2 microM, respectively. The resonance Raman spectra of Hmx1 reveal a heme binding pocket similar to those of the mammalian and bacterial heme oxygenases. Several reductants, including ascorbate, yeast cytochrome P450 reductase (CPR), human CPR, spinach ferredoxin/ferredoxin reductase, and putidaredoxin/putidaredoxin reductase, are able to provide electrons for biliverdin production by Hmx1 and CaHmx1. Of these, ascorbate is the most effective reducing partner. Heme oxidation by Hmx1 and CaHmx1 regiospecifically produces biliverdin IXalpha. Spectroscopic analysis of aerobic reactions with H2O2 identifies verdoheme as a reaction intermediate. Hmx1 and CaHmx1 are the first fungal heme oxygenases to be heterologously overexpressed and characterized. Their heme degradation activity is consistent with a role in iron acquisition.

  4. Pressure-induced metallization of condensed phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multi-scale shock technique.

    PubMed

    Ge, Ni-Na; Wei, Yong-Kai; Zhao, Feng; Chen, Xiang-Rong; Ji, Guang-Fu

    2014-07-01

    The electronic structure and initial decomposition in high explosive HMX under conditions of shock loading are examined. The simulation is performed using quantum molecular dynamics in conjunction with multi-scale shock technique (MSST). A self-consistent charge density-functional tight-binding (SCC-DFTB) method is adapted. The results show that the N-N-C angle has a drastic change under shock wave compression along lattice vector b at shock velocity 11 km/s, which is the main reason that leads to an insulator-to-metal transition for the HMX system. The metallization pressure (about 130 GPa) of condensed-phase HMX is predicted firstly. We also detect the formation of several key products of condensed-phase HMX decomposition, such as NO2, NO, N2, N2O, H2O, CO, and CO2, and all of them have been observed in previous experimental studies. Moreover, the initial decomposition products include H2 due to the C-H bond breaking as a primary reaction pathway at extreme condition, which presents a new insight into the initial decomposition mechanism of HMX under shock loading at the atomistic level.

  5. Shock-to-detonation transition of RDX and NTO based composite high explosives: experiments and modeling

    NASA Astrophysics Data System (ADS)

    Baudin, Gerard; Roudot, Marie; Genetier, Marc

    2013-06-01

    Composite HMX and NTO based high explosives (HE) are widely used in ammunitions. Designing modern warheads needs robust and reliable models to compute shock ignition and detonation propagation inside HE. Comparing to a pressed HE, a composite HE is not porous and the hot-spots are mainly located at the grain - binder interface leading to a different behavior during shock-to-detonation transition. An investigation of how shock-to-detonation transition occurs inside composite HE containing RDX and NTO is proposed in this lecture. Two composite HE have been studied. The first one is HMX - HTPB 82:18. The second one is HMX - NTO - HTPB 12:72:16. These HE have been submitted to plane sustained shock waves at different pressure levels using a laboratory powder gun. Pressure signals are measured using manganin gauges inserted at several distances inside HE. The corresponding run-distances to detonation are determined using wedge test experiments where the plate impact is performed using a powder gun. Both HE exhibit a single detonation buildup curve in the distance - time diagram of shock-to-detonation transition. This feature seems a common shock-to-detonation behavior for composite HE without porosity. This behavior is also confirmed for a RDX - HTPB 85:15 based composite HE. Such a behavior is exploited to determine the heterogeneous reaction rate versus the shock pressure using a method based on the Cauchy-Riemann problem inversion. The reaction rate laws obtained allow to compute both run-distance to detonation and pressure signals.

  6. The deflagration-to-detonation transition in granular HMX

    SciTech Connect

    McAfee, J.M.; Asay, B.; Campbell, A.W.; Ramsay, J.B.

    1991-01-01

    The transition from deflagration to detonation in porous beds of explosive and propellant has received considerable attention both experimentally and theoretically. In many cases, the use of a hot-gas-producing igniter complicates the interpretation and subsequent modeling of experiments because considerable effort is required to account for the effect of the igniter gases on the granular bed. Hot-wire ignition is less intrusive; however, the ignition front is not planar. Thus the early events in these experiments cannot be approximated as one-dimensional. We have studied the deflagration-to-detonation behavior of granular HMX confined in steel tubes with x-radiography, light emission, stress gauges, and various pin techniques. Simplification and consistency of results were obtained by igniting the HMX with a piston (initially at rest and in contact with the HMX) driven into the bed. A gasless igniter is used to stare the burning of the piston propellant (low-density HMX) providing the piston with a smooth initial motion. Analysis of the data gives a detailed picture of the DDT process under these conditions. The qualitative and quantitative experimental results show the transition from the burning to detonation is discontinuous. The results are discussed in terms of a descriptive model.

  7. One dimensional time-to-explode (ODTX) in HMX spheres

    SciTech Connect

    Breshears, D.

    1997-06-02

    In a series of papers researchers at Lawrence Livermore National Laboratory (LLNL) have reported measurements of the time to explosion in spheres of various high explosives following a rapid, uniform increase in the surface temperature of the sphere. Due to the spherical symmetry, the time-dependent properties of the explosive (temperature, chemical composition, etc.) are functions of the radial spatial coordinate only; thus the name one-dimensional time-to-explosion (ODTX). The LLNL researchers also report an evolving series of computational modeling results for the ODTX experiments, culminating in those obtained using a sophisticated heat transfer code incorporating accurate descriptions of chemical reaction. Although the chemical reaction mechanism used to describe HMX decomposition is quite simple, the computational results agree very well with the experimental data. In addition to reproducing the magnitude and temperature dependence of the measured times to explosion, the computational results also agree with the results of post reaction visual inspection. The ODTX experiments offer a near-ideal example of a transport process (heat transfer in this case) tightly coupled with chemical reaction. The LLNL computational model clearly captures the important features of the ODTX experiments. An obvious question of interest is to what extent the model and/or its individual components (specifically the chemical reaction mechanism) are applicable to other experimental scenarios. Valid exploration of this question requires accurate understanding of (1) the experimental scenario addressed by the LLNL model and (2) details of the application of the model. The author reports here recent work addressing points (1) and (2).

  8. Observation and modeling of deflagration-to-detonation (DDT) transition in low-density HMX

    NASA Astrophysics Data System (ADS)

    Tringe, Joseph; Vandersall, Kevin; Reaugh, Jack; Levie, Harold; Henson, Bryan; Smilowitz, Laura; Parker, Gary

    2015-06-01

    We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (~ 1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition, both by x-ray contrast and by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  9. Species and temperature profiles in ignition and deflagration of HMX

    SciTech Connect

    Parr, T.; Hanson-Parr, D.

    1987-01-01

    This paper reports on progress made in a program investigating the chemistry and kinetics of the ignition and combustion of solid propellants and their ingredients. Experiments were performed using imaging Planar Laser Induced Fluorescence (PLIF) to measure species and temperture profiles during CO/sub 2/ laser ignition and steady state deflagration of HMX. All experiments were done at one atmosphere. Time resolved PLIF images were obtained for NO/sub 2/, NO, CN, NH, H/sub 2/CO, OH, and OH rotational temperatures during ignition and deflagration of HMX. CN and NH form at reasonably large heights off the sample surface in gas phase ignition kernels at finite delays, and reform into relatively thin flame sheets which snap back towards the sample surface. NO/sub 2/ and NO are initial products during laser ignition, beginning to form at minimum delay times and producing tall plumes until ignition occurs in the gas phase. The NO/sub 2/ and NO PLIF signals are then confined to an expanding spherical shell plus a steady state solid core between the sample surface and the CN or NH flame sheet. Thus it appears that NO/sub 2/ and NO are early decomposition products which are consumed in a flame separated significantly from the surface. The CN and NH are produced in this flame as transient radicals. OH is produced at the same delay as CN and NH but extends very far beyond the thin CNNH flame front. OH rotational temperature profiles rise sharply at the CNNH flame sheet and level off at about 2772 degrees K beyond it. Evidence is given that the flames are two phase even for neat HMX. Little or no evidence for H/sub 2/CO was seen during ignition of HMX. Although large concentrations are seen during ignition of a nitramine composite propellant, this signal appears to be due to formaldehyde from decomposition of the PEG binder.

  10. Deflagration-to-detonation transition in PETN and HMX

    SciTech Connect

    Dinegar, R.H.

    1983-02-01

    The deflagration-to-detonation transition (DDT) can be made to occur in both PETN and HMX. The reaction is sensitive to the degree of subdivision and the compactness of the explosive in which the transition takes place. It apparently happens better with explosives of small specific surface loaded at low density. Experiments using thin metal shims between the donor and transition-explosive charges suggest that transition-explosive compression makes an important contribution to the DDT process.

  11. Effect of HMX on the combustion response function

    NASA Technical Reports Server (NTRS)

    Strand, L. D.; Cohen, N. S.

    1980-01-01

    Over a pressure range of 3.5-7 MPa and a frequency range of 500-2000 Hz and compared to propellants having equivalent energy and burn rate, HMX produces less pressure-coupled acoustic driving than AP and is equivalent to NC/TMETN. Formation of carbonaceous combustion products indicates that binder decomposition does not follow equilibrium thermochemistry, and that this is aggravated by fuel richness or the absence of AP.

  12. Quantification of microstructural features in HMX using small angle neutron scattering techniques

    SciTech Connect

    Mang, J.T.; Skidmore, C.B.; Hjelm, R.P.; Howe, P.M.

    1998-12-01

    Microstructural features in raw powders of High Explosives have been qualitatively observed by many researchers, using polarized light and scanning electron microscopy. Here, the authors present a method for non-destructive quantification of volume fraction and structure of intragranular cracks and crystallization voids in a bulk sample (100--300 mg). By employing Small Angle Neutron Scattering (SANS) in conjunction with the method of contrast variation, they can effectively highlight different structural features of a complex system. The technique of contrast variation relies on immersing the sample in a uniform fluid of known neutron scattering length density. By selectively varying the scattering length density of the immersion fluid, scattering contributions from internal and external structures can be separated. This approach is analogous to varying the index of refraction for immersion oil relative to a sample in polarized light microscopy. SANS experiments on HMX were conducted using loose powders (261 and 10 micron mean particle diameters) and pellets made by uniaxial consolidation (without binder) to 7 and 10 volume percent porosity respectively. Detailed modeling of the SANS data indicate significant alteration of the intragranular void/crack/pore structure, with pressing, of the HMX powders.

  13. Phytoremediation of explosives (TNT, RDX, HMX) by wild-type and transgenic plants.

    PubMed

    Panz, Katarzyna; Miksch, Korneliusz

    2012-12-30

    The large-scale production and processing of munitions has led to vast environmental pollution by the compounds TNT(2,4,6-trinitrotoluene), RDX(hexahydro-1,3,5-trinitro-1,3,5-triazine) and HMX(octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Explosives contain these toxic and mutagenic xenobiotics, which are stable in the environment and recalcitrant to remediation. Certain technologies used thus far (incineration, adsorption, advanced oxidations processes, chemical reduction etc.) have not only been very expensive but also caused additional environmental problems. During recent decades, the most popular technologies have been biotechnological methods, such as phytoremediation, which is relatively cheap, environmentally friendly, and a highly accepted solution by society. The most promising of these technologies is the usage of genetically modified plants, which combines the ability of bacterial genes to detoxify compounds with the phytoremediation benefits of plants. This paper is a review related to the latest and most important achievements in the field of phytoremediation of water and soil contaminated with TNT, RDX and HMX. PMID:22996005

  14. Particle velocity and stress measurements in low density HMX

    SciTech Connect

    Sheffield, S.A.; Gustavsen, R.L.; Alcon, R.R.; Graham, R.A.; Anderson, M.U.

    1993-08-01

    Magnetic particle velocity gauges and PVDF stress rate gauges have been used to measure the shock response of low density HMX explosive (1.24 g/cm{sup 3}). In experiments done at LANL, magnetic particle velocity gauges were located on both sides of the explosive. In nearly identical experiments done at SNL, PVDF stress rate gauges were located at the same positions. Using these techniques both particle velocity and stress histories were obtained for a particular experimental condition. Loading and reaction paths were established in the stress-particle velocity plane for each input condition. This information was used to determine that compacted HMX has an impedance close to that of Kel-F and also that a global reaction rate of {approx} 0.13 {mu}s{sup {minus}1} was observed in HMX shocked to about 0.8 GPa. At low input stresses the transmitted wave profiles had long rise times (up to 1 {mu}s) due to the compaction processes.

  15. Application of a four-step HMX kinetic model to an impact-induced fraction ignition problems

    SciTech Connect

    Perry, William L; Gunderson, Jake A; Dickson, Peter M

    2010-01-01

    There has been a long history of interest in the decomposition kinetics of HMX and HMX-based formulations due to the widespread use of this explosive in high performance systems. The kinetics allow us to predict, or attempt to predict, the behavior of the explosive when subjected to thermal hazard scenarios that lead to ignition via impact, spark, friction or external heat. The latter, commonly referred to as 'cook off', has been widely studied and contemporary kinetic and transport models accurately predict time and location of ignition for simple geometries. However, there has been relatively little attention given to the problem of localized ignition that results from the first three ignition sources of impact, spark and friction. The use of a zero-order single-rate expression describing the exothermic decomposition of explosives dates to the early work of Frank-Kamanetskii in the late 1930s and continued through the 60's and 70's. This expression provides very general qualitative insight, but cannot provide accurate spatial or timing details of slow cook off ignition. In the 70s, Catalano, et al., noted that single step kinetics would not accurately predict time to ignition in the one-dimensional time to explosion apparatus (ODTX). In the early 80s, Tarver and McGuire published their well-known three step kinetic expression that included an endothermic decomposition step. This scheme significantly improved the accuracy of ignition time prediction for the ODTX. However, the Tarver/McGuire model could not produce the internal temperature profiles observed in the small-scale radial experiments nor could it accurately predict the location of ignition. Those factors are suspected to significantly affect the post-ignition behavior and better models were needed. Brill, et al. noted that the enthalpy change due to the beta-delta crystal phase transition was similar to the assumed endothermic decomposition step in the Tarver/McGuire model. Henson, et al., deduced the

  16. Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive

    NASA Astrophysics Data System (ADS)

    Lin, He; Zhu, Shun-Guan; Li, Hong-Zhen; Peng, Xin-Hua

    2013-09-01

    1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)/1,3-dimethyl-2-imidazolidinone (DMI) cocrystal explosive was synthesized and characterized by using X-ray single crystal diffraction. HMX/DMI cocrystal crystallizes in the monoclinic system (space group Cm), with cell parameters a = 7.231(2)Å, b = 14.739(2)Å, c = 7.552(1)Å, β = 96.66°. In addition, density functional theory, involving binding energy, natural bond orbital (NBO) analysis, atoms in molecule (AIM) analysis, band structure, and density of states, was adopted to investigate intermolecular interactions for the formation of HMX/DMI cocrystal. The results show that hydrogen bondings between methylene groups of HMX molecules and O atoms of DMI molecules are the main intermolecular interactions. This research provides the basis for further design of cocrystal explosives, which are composed of HMX and energetic materials.

  17. Preparation and Characterization of the Solid Spherical HMX/F2602 by the Suspension Spray-Drying Method

    NASA Astrophysics Data System (ADS)

    Ji, Wei; Li, Xiaodong; Wang, Jingyu; Ye, Baoyun; Wang, Cailing

    2016-10-01

    Solid spherical octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine/fluororubber2602 (HMX/F2602) was prepared by the suspension spray-drying method as follows: firstly, thinning octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) was obtained by a solvent-anti-solvent method. Secondly, thinning HMX suspended in ethyl acetate solvent in a solution of a binder-F2602-was made into a suspension. Finally, the samples were prepared by spray drying. The samples were characterized by scanning electron microscopy (SEM), X-ray photoelectron spectrometry (XPS), X-ray diffraction (XRD), and Fourier transform infrared (FTIR), and its thermal stability as well as mechanical and spark sensitivities were measured. The results of SEM showed that the grain of HMX/F2602 was solid spherical and the particle distribution was homogeneous. The results of XPS indicated that F2602 can be successfully coated on the surface of HMX crystals. Compared to raw HMX, th characteristic drop height was increased from 19.60 to 40.37 cm, an increase of 79.10%. The friction sensitivities of HMX reduced from 100 to 28% and the spark sensitivity of HMX/F2602 increased. The critical explosion temperatures of raw HMX and HMX/F2602 were 275.43 and 274.30°C, respectively. The amount of gas evolution of raw HMX and HMX/F2602 was 0.15 and 0.12 ml.(5 g)-1, respectively. The results of DSC and vacuum stability tests (VSTs) indicate that the thermal stability of HMX/F2602 was equal to that of raw HMX and HMX and F2602 had good compatibility.

  18. Hmx1 is required for the normal development of somatosensory neurons in the geniculate ganglion.

    PubMed

    Quina, Lely A; Tempest, Lynne; Hsu, Yun-Wei A; Cox, Timothy C; Turner, Eric E

    2012-05-01

    Hmx1 is a variant homeodomain transcription factor expressed in the developing sensory nervous system, retina, and craniofacial mesenchyme. Recently, mutations at the Hmx1 locus have been linked to craniofacial defects in humans, rats, and mice, but its role in nervous system development is largely unknown. Here we show that Hmx1 is expressed in a subset of sensory neurons in the cranial and dorsal root ganglia which does not correspond to any specific sensory modality. Sensory neurons in the dorsal root and trigeminal ganglia of Hmx1dm/dm mouse embryos have no detectable Hmx1 protein, yet they undergo neurogenesis and express sensory subtype markers normally, demonstrating that Hmx1 is not globally required for the specification of sensory neurons from neural crest precursors. Loss of Hmx1 expression has no obvious effect on the early development of the trigeminal (V), superior (IX/X), or dorsal root ganglia neurons in which it is expressed, but results in marked defects in the geniculate (VII) ganglion. Hmx1dm/dm mouse embryos possess only a vestigial posterior auricular nerve, and general somatosensory neurons in the geniculate ganglion are greatly reduced by mid-gestation. Although Hmx1 is expressed in geniculate neurons prior to cell cycle exit, it does not appear to be required for neurogenesis, and the loss of geniculate neurons is likely to be the result of increased cell death. Fate mapping of neural crest-derived tissues indicates that Hmx1-expressing somatosensory neurons at different axial levels may be derived from either the neural crest or the neurogenic placodes. PMID:22586713

  19. Theoretical insight into the binding energy and detonation performance of ε-, γ-, β-CL-20 cocrystals with β-HMX, FOX-7, and DMF in different molar ratios, as well as electrostatic potential.

    PubMed

    Feng, Rui-Zhi; Zhang, Shu-Hai; Ren, Fu-de; Gou, Rui-Jun; Gao, Li

    2016-06-01

    Molecular dynamics method was employed to study the binding energies on the selected crystal planes of the ε-, γ-, β-conformation 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (ε-, γ-, β-CL-20) cocrystal explosives with 1,1-diamino-2,2-dinitroethylene (FOX-7), 1,3,5,7-tetranitro- 1,3,5,7-tetrazacyclooctane with β-conformation (β-HMX) and N,N-dimethylformamide (DMF) in different molar ratios. The oxygen balance, density, detonation velocity, detonation pressure, and surface electrostatic potential were analyzed. The results indicate that the binding energies E b (*) and stabilities are in the order of 1:1 > 2:1 > 3:1 > 5:1 > 8:1 (CL-20:FOX-7/β-HMX/DMF). The values of E b (*) and stabilities of the energetic-nonenergetic CL-20/DMF cocrystals are far larger than those of the energetic-energetic CL-20/FOX-7 and CL-20/β-HMX, and those of CL-20/β-HMX are the smallest. For CL-20/FOX-7 and CL-20/β-HMX, the largest E b (*) appears in the cocrystals with the 1:1, 1:2 or 1:3 molar ratio, and the stabilities of the cocrystals with the excess ratio of CL-20 are weaker than those in the cocrystals with the excess ratio of FOX-7 or β-HMX. In CL-20/FOX-7, CL-20 prefers adopting the γ-form, and ε-CL-20 is the preference in CL-20/β-HMX, and ε-CL-20 and β-CL-20 can be found in CL-20/DMF. The CL-20/FOX-7 and CL-20/β-HMX cocrystals with low molar ratios can meet the requirements of low sensitive high energetic materials. Surface electrostatic potential reveals the nature of the sensitivity change upon the cocrystal formation. Graphical Abstract MD method was employed to study the binding energies on the selected crystal planes in the ε-, γ-, β-CL-20 cocrystals with FOX-7, β-HMX and DMF in different molar ratios. Surface electrostatic potential reveals the nature of the sensitivity change in cocrystals. PMID:27168198

  20. Theoretical insight into the binding energy and detonation performance of ε-, γ-, β-CL-20 cocrystals with β-HMX, FOX-7, and DMF in different molar ratios, as well as electrostatic potential.

    PubMed

    Feng, Rui-Zhi; Zhang, Shu-Hai; Ren, Fu-de; Gou, Rui-Jun; Gao, Li

    2016-06-01

    Molecular dynamics method was employed to study the binding energies on the selected crystal planes of the ε-, γ-, β-conformation 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (ε-, γ-, β-CL-20) cocrystal explosives with 1,1-diamino-2,2-dinitroethylene (FOX-7), 1,3,5,7-tetranitro- 1,3,5,7-tetrazacyclooctane with β-conformation (β-HMX) and N,N-dimethylformamide (DMF) in different molar ratios. The oxygen balance, density, detonation velocity, detonation pressure, and surface electrostatic potential were analyzed. The results indicate that the binding energies E b (*) and stabilities are in the order of 1:1 > 2:1 > 3:1 > 5:1 > 8:1 (CL-20:FOX-7/β-HMX/DMF). The values of E b (*) and stabilities of the energetic-nonenergetic CL-20/DMF cocrystals are far larger than those of the energetic-energetic CL-20/FOX-7 and CL-20/β-HMX, and those of CL-20/β-HMX are the smallest. For CL-20/FOX-7 and CL-20/β-HMX, the largest E b (*) appears in the cocrystals with the 1:1, 1:2 or 1:3 molar ratio, and the stabilities of the cocrystals with the excess ratio of CL-20 are weaker than those in the cocrystals with the excess ratio of FOX-7 or β-HMX. In CL-20/FOX-7, CL-20 prefers adopting the γ-form, and ε-CL-20 is the preference in CL-20/β-HMX, and ε-CL-20 and β-CL-20 can be found in CL-20/DMF. The CL-20/FOX-7 and CL-20/β-HMX cocrystals with low molar ratios can meet the requirements of low sensitive high energetic materials. Surface electrostatic potential reveals the nature of the sensitivity change upon the cocrystal formation. Graphical Abstract MD method was employed to study the binding energies on the selected crystal planes in the ε-, γ-, β-CL-20 cocrystals with FOX-7, β-HMX and DMF in different molar ratios. Surface electrostatic potential reveals the nature of the sensitivity change in cocrystals.

  1. Equation of state of unreacted high explosives at high pressures

    SciTech Connect

    Yoo, C-S

    1998-08-14

    Isotherms of unreacted high explosives (HMX, RDX, and PETN) have been determined to quasi-hydrostatic high pressures below 45 GPa, by using a diamond-anvil cell angle-resolved synchrotron x-ray diffraction method. The equation-of-state parameters (bulk modulus Bo, and its derivatives B' ) are presented for the 3rd-order Birch-Murnaghan formula based on the measured isotherms. The results are also used to retrieve unreacted Hugoniots in these high explosives and to develop the equations of state and kinetic models for composite high explolsivcs such as XTX-8003 and LX-04. The evidence of shear-induced chemistry of HMX in non-hydrostatic conditions is also presented.

  2. Production of the NO photofragment in the desorption of RDX and HMX from surfaces.

    PubMed

    White, Jason D; Akin, F Ahu; Oser, Harald; Crosley, David R

    2011-01-01

    A promising scheme for the remote detection of nitrate-based explosives, which have low vapor pressure, involves two lasers: the first to desorb, vaporize, and photofragment the explosive molecule and the second to create laser-induced fluorescence in the NO fragment. It is desirable to use for the first a powerful 532 nm frequency-doubled Nd:YAG laser. In this study, we investigate the degree of photofragmentation into NO resulting from the irradiation of the explosives RDX and HMX coated on a variety of surfaces. The desorption step is followed by femtosecond laser ionization and time-of-flight mass spectrometry to reveal the fragments produced in the first step. We find that modest laser power of 532 nm desorbs the explosive and produces adequate amounts of NO.

  3. Microstructural Characterization of Pressed HMX Material Sets With Implications on Initiation Behavior

    NASA Astrophysics Data System (ADS)

    Molek, Christopher; Welle, Eric; Wixom, Ryan; Ritchey, Barry; Samuels, Philip

    2015-06-01

    The detonation physics community has embraced the idea that initiation of high explosives proceeds from an ignition event through subsequent growth to steady detonation. A weakness of all the commonly used ignition and growth models is that microstructural characteristics are not explicitly incorporated in their ignition and terms. This is the case in spite of a demonstrated, but not well-understood, empirical link between morphology and initiation of energetic materials. Morphological effects have been parametrically studied in many ways, with the majority of efforts focused on establishing a tie between bulk powder metrics and initiation of the pressed beds. More recently, there has been a shift toward characterizing the microstructure of pressed beds in order to understand the underlying mechanisms governing behavior. We have characterized the microstructures of several HMX materials using ion bombardment techniques that expose the microstructure of pellets studied in initiation experiments. We discuss our attempt to quantify microstructure and the impacts on continuum level initiation behavior.

  4. The Application of Global Kinetic Models to HMX Beta-Delta Transition and Cookoff Processes

    SciTech Connect

    Wemhoff, A P; Burnham, A K; Nichols III, A L

    2006-12-07

    The reduction of the number of reactions in kinetic models for both the HMX beta-delta phase transition and thermal cookoff provides an attractive alternative to traditional multi-stage kinetic models due to reduced calibration effort requirements. In this study, we use the LLNL code ALE3D to provide calibrated kinetic parameters for a two-reaction bidirectional beta-delta HMX phase transition model based on Sandia Instrumented Thermal Ignition (SITI) and Scaled Thermal Explosion (STEX) temperature history curves, and a Prout-Tompkins cookoff model based on One-Dimensional Time to Explosion (ODTX) data. Results show that the two-reaction bidirectional beta-delta transition model presented here agrees as well with STEX and SITI temperature history curves as a reversible four-reaction Arrhenius model, yet requires an order of magnitude less computational effort. In addition, a single-reaction Prout-Tompkins model calibrated to ODTX data provides better agreement with ODTX data than a traditional multi-step Arrhenius model, and can contain up to 90% less chemistry-limited time steps for low-temperature ODTX simulations. Manual calibration methods for the Prout-Tompkins kinetics provide much better agreement with ODTX experimental data than parameters derived from Differential Scanning Calorimetry (DSC) measurements at atmospheric pressure. The predicted surface temperature at explosion for STEX cookoff simulations is a weak function of the cookoff model used, and a reduction of up to 15% of chemistry-limited time steps can be achieved by neglecting the beta-delta transition for this type of simulation. Finally, the inclusion of the beta-delta transition model in the overall kinetics model can affect the predicted time to explosion by 1% for the traditional multi-step Arrhenius approach, while up to 11% using a Prout-Tompkins cookoff model.

  5. Kinetics of HMX and CP Decomposition and Their Extrapolation for Lifetime Assessment

    SciTech Connect

    Burnham, A K; Weese, R K; Adrzejewski, W J

    2006-09-11

    Accelerated aging tests play an important role in assessing the lifetime of manufactured products. There are two basic approaches to lifetime qualification. One tests a product to failure over range of accelerated conditions to calibrate a model, which is then used to calculate the failure time for conditions of use. A second approach is to test a component to a lifetime-equivalent dose (thermal or radiation) to see if it still functions to specification. Both methods have their advantages and limitations. A disadvantage of the 2nd method is that one does not know how close one is to incipient failure. This limitation can be mitigated by testing to some higher level of dose as a safety margin, but having a predictive model of failure via the 1st approach provides an additional measure of confidence. Even so, proper calibration of a failure model is non-trivial, and the extrapolated failure predictions are only as good as the model and the quality of the calibration. This paper outlines results for predicting the potential failure point of a system involving a mixture of two energetic materials, HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and CP (2-(5-cyanotetrazalato) pentaammine cobalt (III) perchlorate). Global chemical kinetic models for the two materials individually and as a mixture are developed and calibrated from a variety of experiments. These include traditional thermal analysis experiments run on time scales from hours to a couple days, detonator aging experiments with exposures up to 50 months, and sealed-tube aging experiments for up to 5 years. Decomposition kinetics are determined for HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and CP (2-(5-cyanotetrazalato) pentaammine cobalt (III) perchlorate) separately and together. For high levels of thermal stress, the two materials decompose faster as a mixture than individually. This effect is observed both in high-temperature thermal analysis experiments and in long

  6. LDRD final report : raman spectroscopic measurements to monitor the HMX beta-delta phase transition.

    SciTech Connect

    Renlund, Anita Mariana; Tappan, Alexander Smith; Miller, Jill C.

    2000-11-01

    The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to predictive safety models for HMX and HMX-containing EMs. We report work on monitoring the phase transition with real-time Raman spectroscopy aimed towards obtaining a better understanding of physical properties of HMX through the phase transition. HMX samples were confined in a cell of minimal free volume in a displacement-controlled or load-controlled arrangement. The cell was heated and then cooled at controlled rates while real-time Raman spectroscopic measurements were performed. Raman spectroscopy provides a clear distinction between the phases of HMX because the vibrational transitions of the molecule change with conformational changes associated with the phase transition. Temperature of phase transition versus load data are presented for both the heating and cooling cycles in the load-controlled apparatus, and general trends are discussed. A weak dependence of the temperature of phase transition on load was discovered during the heating cycle, with higher loads causing the phase transition to occur at a higher temperature. This was especially true in the temperature of completion of phase transition data as opposed to the temperature of onset of phase transition data. A stronger dependence on load was observed in the cooling cycle, with higher loads causing the reverse phase transitions to occur at a higher cooling temperature. Also, higher loads tended to cause the phase transition to occur over a longer period of time in the heating cycle and over a shorter period of time in the cooling cycle. All three of the pure HMX phases ({alpha}, {beta} and {delta}) were detected on cooling of the heated samples, either in pure form or as a mixture.

  7. Deflagration-to-detonation transition in granular HMX

    SciTech Connect

    Campbell, A.W.

    1980-01-01

    Experimental studies of the deflagration-to-detonation transition (DDT) in chemical explosives, specifically, granular HMX, are reviewed. The picture of the DDT process as presented here results from an attempt to incorporate common experimental observations which have heretofore been puzzling. It differs from that presented by G.B. Kistiakowsky in that the role of convective combustion is terminated and mechanical processes are postulated as the means of continuing the reaction buildup until shock waves are formed. In order to validate this picture it will be necessary both to review the experimental literature for observations which may not be reconcilable with it, and to subject each step in the proposed DDT process to detailed scrutiny. (LCL)

  8. Low pressure shock initiation of porous HMX for two grain size distributions and two densities

    SciTech Connect

    Gustavsen, R.L.; Sheffield, S.A.; Alcon, R.R.

    1995-09-01

    Shock initiation measurements have been made on granular HMX (octotetramethylene tetranitrainine) for two particle size distributions and two densities. Samples were pressed to either 65% or 73% of crystal density from fine ({approx} 10 {mu}m grain size) and coarse (broad distribution of grain sizes peaking at {approx} 150 {mu}m) powders. Planar shocks of 0.2--1 GPa were generated by impacting gas gun driven projectiles on plastic targets containing the HMX. Wave profiles were measured at the input and output of the {approx} 3.9 mm thick HMX layer using electromagnetic particle velocity gauges. The initiation behavior for the two particle size distributions was very different. The coarse HMX began initiating at input pressures as low as 0.5 GPa. Transmitted wave profiles showed relatively slow reaction with most of the buildup occurring at the shock front. In contrast, the fine particle HMX did not begin to initiate at pressures below 0.9 GPa. When the fine powder did react, however, it did so much faster than the coarse HMX. These observations are consistent with commonly held ideas about bum rates being correlated to surface area, and initiation thresholds being correlated with the size and temperature of the hot spots created by shock passage. For each size, the higher density pressings were less sensitive than the lower density pressings.

  9. Effects of temperature, humidity, sample geometry, and other variables on Bruceton type 12 impact initiation of HMX-based high explosives

    SciTech Connect

    Avilucea, Gabriel R; Aragon, Daniel J; Peterson, Paul D; Preston, Daniel N; Hartline, Ernest L; Hagelberg, Stephanie I

    2009-01-01

    The drop weight impact test, developed at Bruceton Naval Research Laboratory 60 years ago, is still the most commonly used configuration for evaluating sensitivity of explosives to non-shock ignition. The standard drop weight impact test is performed under ambient conditions for temperature and humidity - variations in which are known to significantly affect the probability of reaction. We have performed a series of impact tests in an attempt to characterize the effect of temperature, humidity, sample geometry (height, mass, L/d, and pressed density), sample confinement, and impact surface properties (strength and coefficient of friction) on the probability of reaction in a drop weight impact test. Differences in the probability of reaction have been determined across a range of drop heights for each configuration. The results clearly show significant shifts in the probability of reaction and in the slope of the reaction probability curve for several of the variables.

  10. Chronic toxicity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in soil determined using the earthworm (Eisenia andrei) reproduction test.

    PubMed

    Robidoux, P Y; Hawari, J; Thiboutot, S; Ampleman, G; Sunahara, G I

    2001-01-01

    The sublethal and chronic effects of the environmental contaminant and explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in artificial soil were assessed using the earthworm (Eisenia andrei). Based on various reproduction parameters (total and hatched number of cocoons, number of juveniles and their biomass), fecundity was reduced at the different concentrations of HMX tested (from 280.0 +/- 12.3 to 2502.9 +/- 230.0 mg kg-1 dry soil) in spiked artificial soil (LOEC: 280.0 +/- 12.3 mg kg-1 dry soil). The growth of adult E. andrei was also reduced at the different concentrations tested, though no mortality occurred, even at the highest tested concentrations. The number of juveniles produced was correlated with the number of total and hatched cocoons, and the biomass of juveniles was correlated with the number of cocoons. Pooled results of these and earlier studies on explosives (TNT, RDX) using the E. andrei reproduction test confirm that effects of HMX on cocoon production are indicative of some reproductive consequences (number of juvenile and their biomass), whereas adult growth, in general, does not correlate strongly with change in reproduction capacity.

  11. The Nkx5/HMX homeodomain protein MLS-2 is required for proper tube cell shape in the C. elegans excretory system.

    PubMed

    Abdus-Saboor, Ishmail; Stone, Craig E; Murray, John I; Sundaram, Meera V

    2012-06-15

    Cells perform wide varieties of functions that are facilitated, in part, by adopting unique shapes. Many of the genes and pathways that promote cell fate specification have been elucidated. However, relatively few transcription factors have been identified that promote shape acquisition after fate specification. Here we show that the Nkx5/HMX homeodomain protein MLS-2 is required for cellular elongation and shape maintenance of two tubular epithelial cells in the C. elegans excretory system, the duct and pore cells. The Nkx5/HMX family is highly conserved from sea urchins to humans, with known roles in neuronal and glial development. MLS-2 is expressed in the duct and pore, and defects in mls-2 mutants first arise when the duct and pore normally adopt unique shapes. MLS-2 cooperates with the EGF-Ras-ERK pathway to turn on the LIN-48/Ovo transcription factor in the duct cell during morphogenesis. These results reveal a novel interaction between the Nkx5/HMX family and the EGF-Ras pathway and implicate a transcription factor, MLS-2, as a regulator of cell shape.

  12. Pilot-scale in situ bioremediation of HMX and RDX in soil pore water in Hawaii.

    PubMed

    Payne, Zachary M; Lamichhane, Krishna M; Babcock, Roger W; Turnbull, Stephen J

    2013-10-01

    A nine-month in situ bioremediation study was conducted in Makua Military Reservation (MMR) in Oahu, Hawaii (USA) to evaluate the potential of molasses to enhance biodegradation of royal demolition explosive (RDX) and high-melting explosive (HMX) contaminated soil below the root zone. MMR has been in operation since the 1940's resulting in subsurface contamination that in some locations exceeds USEPA preliminary remediation goals for these chemicals. A molasses-water mixture (1 : 40 dilution) was applied to a treatment plot and clean water was applied to a control plot via seven flood irrigation events. Pore water samples were collected from 12 lysimeters installed at different depths in 3 boreholes in each test plot. The difference in mean concentrations of RDX in pore water samples from the two test plots was very highly significant (p < 0.001). The concentrations differences with depth were also very highly significant (p < 0.001) and degradation was greatly enhanced at depths from 5 to 13.5 ft. biodegradation was modeled as first order and the rate constant was 0.063 per day at 5 ft and decreased to 0.023 per day at 11 ft to 13.5 ft depth. Enhanced biodegradation of HMX was also observed in molasses treated plot samples but only at a depth of 5 ft. The difference in mean TOC concentration (surrogate for molasses) was highly significant with depth (p = 0.003) and very highly significant with treatment (p < 0.001). Mean total nitrogen concentrations also differed significantly with treatment (p < 0.001) and depth (p = 0.059). The molasses water mixture had a similar infiltration rate to that of plain water (average 4.12 ft per day) and reached the deepest sensor (31 ft) within 5 days of application. Most of the molasses was consumed by soil microorganisms by about 13.5 feet below ground surface and treatment of deeper depths may require greater molasses concentrations and/or more frequent flood irrigation. Use of the bioremediation method described herein

  13. Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX.

    PubMed

    Zhurov, Vladimir V; Zhurova, Elizabeth A; Stash, Adam I; Pinkerton, A Alan

    2011-03-01

    Extremely accurate X-ray data were obtained for the explosive RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) at three different temperatures (20, 120 and 298 K). Collected reflections were integrated using the latest version of the program VIIPP which uses separate Kα(1)/Kα(2) contributions to the profile fitting during integration. For each temperature both anharmonic and harmonic descriptions of the atomic thermal motion were utilized in the model refinements along with the multipole expansion of the electron density. H atoms were refined anisotropically and agree well with a previous neutron study. Topological analysis [Bader (1990). Atoms in Molecules: A Quantum Theory. The International Series of Monographs of Chemistry, edited by J. Halpern & M. L. H. Green. Oxford: Clarendon Press] of the attained electron density followed. For 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), old data collected at 20 and 120 K were re-integrated with the new version of VIIPP and refined in the same manner as for RDX. In both cases theoretical structure factors were also calculated based on the 20 K structures, and employed in comparison multipole refinements for the atoms at rest. Limiting the refinement to a harmonic model of the atomic displacements may result in a biased and erroneous electron density, especially when atomic vibrations are significant (as in RDX) and at temperatures higher than obtained by using liquid helium. Given the similarity of the two compounds the effects of anharmonic motion are strikingly more severe in the case of RDX. Our study reinforces the conclusion of Meindl et al. [Acta Cryst. (2010), A66, 362-371] that in certain cases it is necessary to include anharmonic term(s) of the probability density function (or temperature factor) in order to obtain a meaningful electron density suitable for topological analysis, even for compact (high-density) light-atom structures. For RDX it was observed that the oxygen lone-pair concentrations of

  14. Deuterium isotope effects during HMX combustion: Chemical kinetic burn-rate control mechanism verified

    SciTech Connect

    Shackelford, S.A.; Goshgarian, B.B.; Chapman, R.D.; Askins, R.E.; Flanigan, D.A.

    1989-01-01

    The appearance of a significant deuterium isotope effect during the combustion of the solid HMX compound verifies that the chemical reaction kinetics is a major contributor in determining the experimentally observed or global burn rate. Burn rate comparison of HMX and its deuterium labeled HMX-d(8) analogue reveals a primary kinetic deuterium isotope effect (1 deg. KDIE) at 500 psig (3.55 MPa) and 1000 psig (6.99 MPa) pressure and selectively identifies covalent carbon-hydrogen bond rupture as the mechanistic step which ultimately controls the further HMX burn rate under the static combustion conditions of this experiment. The 1 deg. KDIE value further suggests the rate-limiting C-H bond rupture occurs during the solid state HMX decomposition/deflagration portion of the overall combustion event and is supported by other independently published studies. A possible anomalous KDIE result at 1500 psig (10.4 MPa) is addressed. This condensed phase KDIE approach illustrates a direct link between lower temperature/pressure thermal decomposition and deflagration processes and their potential applicability to the combustion regime. Most importantly, a new general method is demonstrated for mechanistic combustion investigations which selectively permits an in-situ identification of the compound's burn rate-controlling step.

  15. A Dimerized HMX1 Inhibits EPHA6/epha4b in Mouse and Zebrafish Retinas

    PubMed Central

    Marcelli, Fabienne; Boisset, Gaëlle; Schorderet, Daniel F.

    2014-01-01

    HMX1 is a homeobox-containing transcription factor implicated in eye development and responsible for the oculo-auricular syndrome of Schorderet-Munier-Franceschetti. HMX1 is composed of two exons with three conserved domains in exon 2, a homeobox and two domains called SD1 and SD2. The function of the latter two domains remains unknown. During retinal development, HMX1 is expressed in a polarized manner and thus seems to play a role in the establishment of retinal polarity although its exact role and mode of action in eye development are unknown. Here, we demonstrated that HMX1 dimerized and that the SD1 and homeodomains are required for this function. In addition, we showed that proper nuclear localization requires the presence of the homeodomain. We also identified that EPHA6, a gene implicated in retinal axon guidance, is one of its targets in eye development and showed that a dimerized HMX1 is needed to inhibit EPHA6 expression. PMID:24945320

  16. Calibration of Parameters in Beta-Delta HMX Phase Transformation Kinetics Using Computer Simulations

    SciTech Connect

    Wemhoff, A P; Burnham, A K

    2005-11-17

    The kinetics of the beta-delta solid-solid phase transformation of HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) were modeled in ALE2D using four similar equilibrium-inhibited nucleation-growth models: a reversible set of Arrhenius kinetics following a LANL model, and three sets of kinetics derived based on an autocatalytic model using the bidirectional reaction formalism. The parameters for the bidirectional kinetics models were calibrated using simulations of two experimental setup scenarios where experimental data is available: 165 C XRD and SITI. In this calibration, the transition enthalpy and activation energy values were kept constant, while the frequency factors were iterated to achieve results similar to those provided by the experiments. This process yielded six unique sets of kinetic parameters that describe the phase transformation: a pair of sets for each of the three bidirectional kinetics models. The models calibrated using 165 C XRD data showed good agreement with LX-04 STEX experimental results, while the SITI-based models were in good agreement with the LANL model and PBX-9501 STEX experimental data. These bidirectional models were also shown to require less computational effort than the LANL model.

  17. Recent developments in formulating model descriptors for subsurface transformation and sorption of TNT, RDX, and HMX. Final report

    SciTech Connect

    Townsend, D.M.; Myers, T.E.

    1996-02-01

    Subsurface contamination with 2,4,6-trinitrotoluene (TNT), 2,3,5-trinitro-1,3,5-triazine (RDX), and oxyhydro-1,3,5,7-tetranitro- 1,3,5,7-tetrazocine (HMX) is a problem at military installations where these explosives were manufactured or used in loading munitions. Recent laboratory batch and column studies conducted to identify processes affecting subsurface transport of TNT, RDX, and HMX provide new information on the relative significance of transformation and sorption for these explosives and yield estimates of key process descriptors. This report assesses the current state of knowledge regarding subsurface transformation and sorption of TNT, RDX, and HMX, provides estimates for subsurface transport descriptors, and recommends further research. Transformation and sorption are important processes in the subsurface transport of TNT, RDX, and HMX. Measurement of transformation products has provided unequivocal evidence of TNT transformation. Research has also indicated that RDX and HMX are affected by subsurface transformations, but RDX and HMX transformation products have not been measured due to lack of chemical analytical capability. The order to magnitude of transformation is TNT >> RDX approx equal to HMX, and the order of magnitude of sorption in TNT > HMX > RDX.

  18. Shock initiation experiments with ignition and growth modeling on low density HMX

    NASA Astrophysics Data System (ADS)

    Garcia, Frank; Vandersall, Kevin S.; Tarver, Craig M.

    2014-05-01

    Shock initiation experiments on low density (~1.2 and ~1.6 g/cm3) HMX were performed to obtain in-situ pressure gauge data, characterize the run-distance-to-detonation behavior, and provide a basis for Ignition and Growth reactive flow modeling. A 101 mm diameter gas gun was utilized to initiate the explosive charges with manganin piezoresistive pressure gauge packages placed between packed layers (~1.2 g/cm3) or sample disks pressed to low density (~1.6 g/cm3). The measured shock sensitivity of the ~1.2 g/cm3 HMX was similar to that previously measured by Sheffield et al. and the ~1.6 g/cm3 HMX was measured to be much less shock sensitive. Ignition and Growth model parameters were utilized that yielded good agreement with the experimental data at both initial densities.

  19. A molecular dynamics simulation of solvent effects on the crystal morphology of HMX.

    PubMed

    Duan, Xiaohui; Wei, Chunxue; Liu, Yonggang; Pei, Chonghua

    2010-02-15

    The solvent has a large effect on the crystal morphology of the organic explosive compound octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX, C(4)H(8)N(8)O(8)). The attachment energy calculations predict a growth morphology in vacuum dominated by (020), (011), (102 ), (111 ) and (100) crystal forms. Molecular dynamics simulations are performed for these crystal faces of HMX in contact with acetone solvent. A corrected attachment energy model, accounting for the surface chemistry and the associated topography (step structure) of the habit crystal plane, is applied to predict the morphological importance of a crystal surface in solvent. From the solvent-effected attachment energy calculations it follows that the (100) face becomes morphologically more important compared with that in vacuum, while the (020) and (102 ) are not visible at all. This agrees well with the observed experimental HMX morphology grown from the acetone solution.

  20. Surface Polarity Of Beta-hmx Crystal And The Related Adhesive Forces With Estane Binder

    SciTech Connect

    Yang, Lu; Hanson, David E

    2008-01-01

    Here we present the results on the study of surface properties of {beta}-HMX crystal utilizing molecular simulations. The surface polarity of three principal crystal surfaces are investigated by measuring the water contact angles. The calculated contact angles agree excellently with the values measured by experiment and show that the surface polarity of three crystal surfaces are different. The free energies and forces of detaching an Estane chain with and without nitroplasticizer from the three principal crystal surfaces were calculated using umbrella sampling technique. We find that the detaching free energy/force increases with the increasing HMX surface polarity. In addition, our results also show that nitroplasticizer plays an important role in the adhesion forces between Estane and HMX surfaces.

  1. Examining the effects of microstructure and loading on the shock initiation of HMX with mesoscale simulations

    NASA Astrophysics Data System (ADS)

    Springer, H. Keo; Tarver, Craig; Bastea, Sorin

    2015-06-01

    We perform reactive mesoscale simulations to study shock initiation in HMX over a range of pore morphologies and sizes, porosities, and loading conditions in order to improve our understanding of structure-performance relationships. These relationships are important because they guide the development of advanced macroscale models incorporating hot spot mechanisms and the optimization of novel energetic material microstructures. Mesoscale simulations are performed using the multiphysics hydrocode, ALE3D. Spherical, elliptical, polygonal, and crack-like pore geometries 0.1, 1, 10, and 100 microns in size and 2, 5, 10, and 14% porosity are explored. Loading conditions are realized with shock pressures of 6, 10, 20, 38, and 50 GPa. A Cheetah-based tabular model, including temperature-dependent heat capacity, is used for the unreacted and the product equation-of-state. Also, in-line Cheetah is used to probe chemical species evolution. The influence of microstructure and shock loading on shock-to-detonation-transition run distance, reaction rate and product gas species evolution are discussed. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work is funded by the Joint DoD-DOE Munitions Program.

  2. Modeling thermal decomposition mechanisms in gaseous and crystalline molecular materials: application to β-HMX.

    PubMed

    Sharia, Onise; Kuklja, Maija M

    2011-11-10

    Exploration of initiation of chemistry in materials is especially challenging when several coexisting chemical mechanisms are possible and many reactions' products are produced. It is even more difficult for complex materials, such as molecular, supramolecular, and hierarchical materials and systems. A strategy to draw a complete picture of the earliest stages of rapid decomposition reactions in molecular materials is presented in this study. The strategy is based on theoretical and computational modeling of chemical decomposition reactions in the gaseous and crystalline molecular material that has been performed by means of combined density functional theory and transition state theory. This study reveals how a crystalline field affects materials chemical degradation. We also demonstrate how incomplete results, which are often used due to difficulties in obtaining comprehensive data, can lead to erroneous conclusions and predictions. We discuss our approach in the context of the obtained reaction energies, activation barriers, structures of transition states, and reaction rates with the example of a representative molecular material, β-HMX, which tends to decompose violently with large energy release upon an external perturbation. The performed analysis helps to provide a consistent interpretation of available experimental data. The article illustrates that the complete picture of decomposition reactions of complex molecular materials, while theoretically challenging and computationally demanding, is possible and even practical at this point in time. PMID:21942331

  3. Compressible Heating in the Condense Phase due to Pore Collapse in HMX

    NASA Astrophysics Data System (ADS)

    Zhang, Ju; Jackson, Thomas

    Axisymmetric pore collapse in HMX is studied numerically by solving multi-phase reactive Euler equations. The generation of hot spots in the condense phase due to compressible heating is examined. The motivation is to improve the understanding of the role of embedded cavities in the initiation of reaction in explosives, and to investigate the effect of hot spots in the condense phase due to compressible heating alone, complementing previous study on hot spots due to the reaction in the gas phase and at the interface. It is found that the shock-cavity interaction results in pressures and thus temperatures that are substantially higher than the post-shock values in the condense phase. However, these hot spots in the condense phase due to compressible heating alone do not seem to be sufficiently hot to lead to ignition at shock pressures of 1-3 GPa. Thus, compressible heating in the condense phase may be excluded as a mechanism for initiation of explosives. It should be pointed out that the ignition threshold for the temperature, the so-called ``switch-on'' temperature, of hot spots depend on chemistry kinetics parameters. Switch-on temperature is lower for faster reaction rate. The current chemistry kinetics parameters are based on previous experimental work. This work was supported in part by the Defense Threat Reduction Agency and by the U.S. Department of Energy.

  4. Coupled thermal and electromagnetic induced decomposition in the molecular explosive αHMX; a reactive molecular dynamics study.

    PubMed

    Wood, Mitchell A; van Duin, Adri C T; Strachan, Alejandro

    2014-02-01

    We use molecular dynamics simulations with the reactive potential ReaxFF to investigate the initial reactions and subsequent decomposition in the high-energy-density material α-HMX excited thermally and via electric fields at various frequencies. We focus on the role of insult type and strength on the energy increase for initial decomposition and onset of exothermic chemistry. We find both of these energies increase with the increasing rate of energy input and plateau as the processes become athermal for high loading rates. We also find that the energy increase required for exothermic reactions and, to a lesser extent, that for initial chemical reactions depend on the insult type. Decomposition can be induced with relatively weak insults if the appropriate modes are targeted but increasing anharmonicities during heating lead to fast energy transfer and equilibration between modes that limit the effect of loading type.

  5. Critical analysis of nitramine decomposition data: Activation energies and frequency factors for HMX and RDX decomposition

    NASA Technical Reports Server (NTRS)

    Schroeder, M. A.

    1980-01-01

    A summary of a literature review on thermal decomposition of HMX and RDX is presented. The decomposition apparently fits first order kinetics. Recommended values for Arrhenius parameters for HMX and RDX decomposition in the gaseous and liquid phases and for decomposition of RDX in solution in TNT are given. The apparent importance of autocatalysis is pointed out, as are some possible complications that may be encountered in interpreting extending or extrapolating kinetic data for these compounds from measurements carried out below their melting points to the higher temperatures and pressure characteristic of combustion.

  6. Role of soil organic carbon and colloids in fate of TNT, RDX and HMX in training range soils.

    SciTech Connect

    Sharma, Prasesh; Mayes, Melanie; Tang, Guoping

    2013-01-01

    Contamination of soils/groundwater by munition compounds (TNT, RDX, HMX) is of significant concern at many U.S. Department of Defense sites. We collected soils from operational ranges in Maryland (APG), Massachusetts (MMR-B and MMR-E) and Washington (JBLM) and conducted sorption/transport studies to investigate effects of soil organic carbon (OC) and clay content on fate of dissolved munition compounds (MCs). Sorption experiments showed higher sorption coefficients [TNT:42-68 kg/L, RDX:6.9-8.7 Kg/L and HMX:2.6-3.1 Kg/L] in OC rich soils (JBLM, MMR-E) compared to clay rich soils MMR-B and APG [TNT:19-21 Kg/L, RDX:2.5-3.4 Kg/L, HMX:0.9-1.2 Kg/L]. In column experiments, breakthrough of MCs was mostly quicker in MMR-B and APG soil filled columns compared to MMR-E and JBLM. Between TNT, RDX and HMX, breakthrough was fastest for RDX followed by HMX and TNT for all soil columns. Separation of effluents into dissolved (<3 kDa) vs unfiltered (total) fractions in effluents showed 30-50% of TNT in the fraction >3kDa (colloidal fraction). HMX and RDX were completely associated with dissolved fraction. Results demonstrate that OC rich soils may enhance sorption and delay transport of TNT, RDX and HMX. Furthermore, colloids could contribute to transport of dissolved TNT to a significant amount.

  7. Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)

    Integrated Risk Information System (IRIS)

    Octahydro - 1,3,5,7 - tetranitro - 1,3,5,7 - tetr . . . ( HMX ) ; CASRN 2691 - 41 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I

  8. Dissolution of explosive compounds TNT, RDX, and HMX under continuous flow conditions.

    PubMed

    Wang, Chao; Fuller, Mark E; Schaefer, Charles; Caplan, Jeffrey L; Jin, Yan

    2012-05-30

    2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) are common contaminants around active military firing ranges. Dissolution of these compounds is usually the first step prior to their spreading in subsurface environments. Nevertheless, dissolution of individual TNT, RDX, and HMX under continuous flow conditions has not been well investigated. This study applied spectral confocal microscopy to observe and quantify the dissolution of TNT, RDX, and HMX (<100 μm crystals) in micromodel channels. Dissolution models were developed to describe the changes of their radii, surface areas, volumes, and specific surface areas as a function of time. Results indicated that a model incorporating a resistance term that accounts for the surface area in direct contact with the channel surfaces (and hence, was not exposed to the flowing water) described the dissolution processes well. The model without the resistance term, however, could not capture the observed data at the late stage of TNT dissolution. The model-fitted mass transfer coefficients were in agreement with the previous reports. The study highlights the importance of including the resistance term in the dissolution model and illustrates the utility of the newly developed spectral imaging method for quantification of mass transfer of TNT, RDX, and HMX.

  9. Coefficient of Thermal Expansion of the Beta and Delta Polymorphs of HMX

    SciTech Connect

    Weese, R K; Burnham, A K; Maienschein, J L

    2004-08-05

    Dimensional changes related to temperature cycling of the beta and delta polymorphs of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are important for a variety of applications. The coefficient of thermal expansion (CTE) of the beta and delta phases are measured and reported in this work over a temperature range of -20 C to 215 C. In addition, dimensional changes associated with the phase transition were measured, both through the transition and back down. Initially, differential scanning calorimetry (DSC) was used to investigate back conversion of the delta phase to the beta phase polymorph. The most successful approach was first to measure the amount of the beta to delta conversion, then after a given cooling period a repeat analysis, to measure the heat consumed by a second pass through the beta to delta phase transition. In addition, TMA is used to measure the dimensional change of a 0.20-gram sample of HMX during its initial heating and then three days later during a 2nd heating. This HMX shows the beta to delta phase transition a second time, thereby confirming the back conversion from delta to beta phase HMX.

  10. Fate and transport of TNT, RDX, and HMX in streambed sediments: Implications for riverbank filtration.

    PubMed

    Zheng, Weixi; Lichwa, Joseph; D'Alessio, Matteo; Ray, Chittaranjan

    2009-08-01

    Riverbank filtration (RBF) refers to the process of capturing surface water passing through the river-sediment-aquifer system by using a collection technique such as a well or an infiltration gallery. RBF removes nearly all suspended and a large number of dissolved contaminants from the surface water. Therefore, it can function as an effective pretreatment process in drinking-water production. TNT (2,4,6-trinitrotoluene), RDX (1,3,5-trinitro-1,3,5-triazacyclohexane), and HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) are three military explosive chemicals that are considered of concern to human health when present in source waters. This study is to evaluate the ability of the filtration media in RBF systems to remove these chemicals. The results from an anoxic batch test showed that all three chemicals will degrade while passing through streambed sediments. The pseudo first-order degradation-rate constants for TNT, RDX, and HMX were measured to be 0.33, 0.055, and 0.033d(-1), respectively. Under aerobic conditions only TNT showed significant degradation. Results from a model RBF system showed that the mobility of the three chemical contaminants in streambed sediments was in the order: HMX>RDX>TNT. The results suggest that RBF is capable of removing TNT and RDX but HMX levels may continue to be of concern-especially when collector wells use laterals running directly beneath the stream or riverbed.

  11. Stand-off detection of HMX traces by active spectral imaging with a tunable CO{sub 2} laser

    SciTech Connect

    Pavlenko, A A; Maksimenko, E V; Chernyshova, L V

    2014-04-28

    Experimental results on stand-off detection of HMX traces at various surfaces using the method of active spectral imaging in the IR region are reported. (laser applications and other topics in quantum electronics)

  12. Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.

    PubMed

    Zhou, Tingting; Song, Huajie; Liu, Yi; Huang, Fenglei

    2014-07-21

    To gain an atomistic-level understanding of the thermal and chemical responses of condensed energetic materials under thermal shock, we developed a thermal shock reactive dynamics (TS-RD) computational protocol using molecular dynamics simulation coupled with ReaxFF force field. β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) was selected as a a target explosive due to its wide usage in the military and industry. The results show that a thermal shock initiated by a large temperature gradient between the "hot" region and the "cold" region results in thermal expansion of the particles and induces a thermal-mechanical wave propagating back and forth in the system with an averaged velocity of 3.32 km s(-1). Heat propagating along the direction of thermal shock leads to a temperature increment of the system and thus chemical reaction initiation. Applying a continuum reactive heat conduction model combined with the temperature distribution obtained from the RD simulation, a heat conduction coefficient is derived as 0.80 W m(-1) K(-1). The chemical reaction mechanisms during thermal shock were analyzed, showing that the reaction is triggered by N-NO2 bond breaking followed by HONO elimination and ring fission. The propagation rates of the reaction front and reaction center are obtained to be 0.069 and 0.038 km s(-1), based on the time and spatial distribution of NO2. The pressure effect on the thermal shock was also investigated by employing uniaxial compression before the thermal shock. We find that compression significantly accelerates thermal-mechanical wave propagation and heat conduction, resulting in higher temperature and more excited molecules and thus earlier initiation and faster propagation of chemical reactions. PMID:24899535

  13. Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.

    PubMed

    Zhou, Tingting; Song, Huajie; Liu, Yi; Huang, Fenglei

    2014-07-21

    To gain an atomistic-level understanding of the thermal and chemical responses of condensed energetic materials under thermal shock, we developed a thermal shock reactive dynamics (TS-RD) computational protocol using molecular dynamics simulation coupled with ReaxFF force field. β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) was selected as a a target explosive due to its wide usage in the military and industry. The results show that a thermal shock initiated by a large temperature gradient between the "hot" region and the "cold" region results in thermal expansion of the particles and induces a thermal-mechanical wave propagating back and forth in the system with an averaged velocity of 3.32 km s(-1). Heat propagating along the direction of thermal shock leads to a temperature increment of the system and thus chemical reaction initiation. Applying a continuum reactive heat conduction model combined with the temperature distribution obtained from the RD simulation, a heat conduction coefficient is derived as 0.80 W m(-1) K(-1). The chemical reaction mechanisms during thermal shock were analyzed, showing that the reaction is triggered by N-NO2 bond breaking followed by HONO elimination and ring fission. The propagation rates of the reaction front and reaction center are obtained to be 0.069 and 0.038 km s(-1), based on the time and spatial distribution of NO2. The pressure effect on the thermal shock was also investigated by employing uniaxial compression before the thermal shock. We find that compression significantly accelerates thermal-mechanical wave propagation and heat conduction, resulting in higher temperature and more excited molecules and thus earlier initiation and faster propagation of chemical reactions.

  14. Degradation of high energetic and insensitive munitions compounds by Fe/Cu bimetal reduction.

    PubMed

    Koutsospyros, Agamemnon; Pavlov, Julius; Fawcett, Jacqueline; Strickland, David; Smolinski, Benjamin; Braida, Washington

    2012-06-15

    A reductive technology based on a completely mixed two-phase reactor (bimetallic particles and aqueous stream) was developed for the treatment of aqueous effluents contaminated with nitramines and nitro-substituted energetic materials. Experimental degradation studies were performed using solutions of three high energetics (RDX, HMX, TNT) and three insensitive-munitions components (NTO, NQ, DNAN). The study shows that, on laboratory scale, these energetic compounds are easily degraded in solution by suspensions of bimetallic particles (Fe/Ni and Fe/Cu) prepared by electro-less deposition. The type of bimetal pair (Fe/Cu or Fe/Ni) does not appear to affect the degradation kinetics of RDX, HMX, and TNT. The degradation of all components followed apparent first-order kinetics. The half-lives of all compounds except NTO were under 10 min. Additional parameters affecting the degradation processes were solids loading and initial pH.

  15. Effects of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) exposure on reproduction and hatchling development in Northern bobwhite quail.

    PubMed

    Brunjes, Kristina J; Severt, Scott A; Liu, Jun; Pan, Xiaoping; Brausch, John; Cox, Stephen A; Cobb, George P; McMurry, Scott T; Kendall, Ronald J; Smith, Philip N

    2007-04-15

    Adult Northern bobwhite quail (Colinus virginianus) were exposed via food to octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), an energetic compound found in soils at military training installations. Depuration of HMX into eggs was examined in an initial study, and effects on egg production, hatching, growth, development, and survival of chicks were examined in a follow-up study. HMX was readily and rapidly transferred from female quail into eggs. Marked weight loss was observed in quail exposed to 125 and 250 mg/kg HMX in food, likely due to reductions in food intake rather than a toxic mechanism. In the second study, significant alterations in body mass occurred among quail at concentrations >52.5 +/- 9.3 mg/kg but not at 12.3 +/- 1.1 mg/kg in food. Treatment-related reductions in food consumption and decreases in egg laying rates were observed. No HMX-related effects were found in chick growth or survival. Quail inhabiting HMX-contaminated sites could possibly be exposed to HMX and therefore deposition of HMX into eggs is also possible. However, results of these studies further suggest that the potential for reproductive toxicity of HMX to birds is low.

  16. Isentropic Compression Loading of HMX and the Pressure-induced Phase Transition at 27 GPa

    SciTech Connect

    Hare, D E; Reisman, D B; Dick, J J; Forbes, J W

    2004-02-25

    The 27 GPa pressure-induced epsilon-phi phase transition in HMX is explored using the Isentropic Compression Experiment (ICE) technique at the Sandia National Laboratories Z-machine facility. Our data indicate that this phase transition is sluggish and if it does occur to any extent under the time scales (200-500 ns) and strain rates (5 x 10{sup 5}) typical of ICE loading conditions, the amount of conversion is small.

  17. Using Simultaneous SHG and XRD Capabilities to Examine Phase Transitions of HMX and TATB

    SciTech Connect

    Saw, C K; Zaug, J; Farber, D; Ruddle, C

    2001-06-19

    Simultaneous SHG (second harmonic generation) and XRD (x-ray diffraction) capabilities have been developed at SSRL (Stanford Synchrotron Radiation laboratory) to examine the phase behavior of energetic materials, for example, HMX (octahydro- 1,3,5,7-tetranitro- 1,3,5,7-tetrmcine) and TATB (1,3,5-triamino-2,4,6 trinitrobenzene). This unique capability provides information on the evolution at the molecular level (centro and non-centrosymmetric) on material stability, phase transformation or decomposition reactions, which are important to continue refinement of computational predictions of material properties. This paper reports x-ray diffraction experiments on both HMX and TATB with increasing temperature and on simultaneous SHG and XRD experiments at fixed temperature. Our results indicate that, for HMX, the {beta} to {delta} transformation occurs over a range of temperature which do not correlate to the previously reported fast rise in SHG signal close to 17OOC as a phase transformation. No phase transition is observed for TATB, even though, previous paper shows an increase in the SHG signal.

  18. Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal

    DOE PAGES

    Austin, Ryan A.; Barton, Nathan R.; Reaugh, John E.; Fried, Laurence E.

    2015-05-14

    A numerical model is developed to study the shock wave ignition of HMX crystal. The model accounts for the coupling between crystal thermal/mechanical responses and chemical reactions that are driven by the temperature field. This allows for the direct numerical simulation of decomposition reactions in the hot spots formed by shock/impact loading. The model is used to simulate intragranular pore collapse under shock wave loading. In a reference case: (i) shear-enabled micro-jetting is responsible for a modest extent of reaction in the pore collapse region, and (ii) shear banding is found to be an important mode of localization. The shearmore » bands, which are filled with molten HMX, grow out of the pore collapse region and serve as potential ignition sites. The model predictions of shear banding and reactivity are found to be quite sensitive to the respective flow strengths of the solid and liquid phases. In this regard, it is shown that reasonable assumptions of liquid-HMX viscosity can lead to chemical reactions within the shear bands on a nanosecond time scale.« less

  19. Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal

    SciTech Connect

    Austin, Ryan A.; Barton, Nathan R.; Reaugh, John E.; Fried, Laurence E.

    2015-05-14

    A numerical model is developed to study the shock wave ignition of HMX crystal. The model accounts for the coupling between crystal thermal/mechanical responses and chemical reactions that are driven by the temperature field. This allows for the direct numerical simulation of decomposition reactions in the hot spots formed by shock/impact loading. The model is used to simulate intragranular pore collapse under shock wave loading. In a reference case: (i) shear-enabled micro-jetting is responsible for a modest extent of reaction in the pore collapse region, and (ii) shear banding is found to be an important mode of localization. The shear bands, which are filled with molten HMX, grow out of the pore collapse region and serve as potential ignition sites. The model predictions of shear banding and reactivity are found to be quite sensitive to the respective flow strengths of the solid and liquid phases. In this regard, it is shown that reasonable assumptions of liquid-HMX viscosity can lead to chemical reactions within the shear bands on a nanosecond time scale.

  20. Coefficient of Thermal Expansion of the Beta and Delta Polymorphs of HMX

    SciTech Connect

    Weese, R K; Burnham, A K

    2005-01-11

    Dimensional changes related to temperature cycling of the {beta} and {delta} polymorphs of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are important for a variety of applications. The coefficient of thermal expansion (CTE) of the {beta} and {delta} phases are measured over a temperature range of -20 C to 215 C by thermo-mechanical analysis (TMA). Dimensional changes associated with the phase transition were also measured, and the time-temperature dependence of the dimensional change is consistent with phase transition kinetics measured earlier by differential scanning calorimetry (DSC). One HMX sample measured by TMA during its initial heating and again three days later during a second heating showed the {beta}-to-{delta} phase transition a second time, thereby indicating back conversion from {delta}-to-{beta} phase HMX during those three days. DSC was used to measure kinetics of the {delta}-to-{beta} back conversion. The most successful approach was to first heat the material to create the {delta} phase, then after a given period at room temperature, measure the heat absorbed during a second pass through the {beta}-to-{delta} phase transition. Back conversion at room temperature follows nucleation-growth kinetics.

  1. Theoretical studies of solid bicyclo-HMX: effects of hydrostatic pressure and temperature.

    PubMed

    Qiu, Ling; Zhu, Wei-Hua; Xiao, Ji-Jun; Xiao, He-Ming

    2008-04-01

    On the basis of density functional theory (DFT) and molecular dynamics (MD), the structural, electronic, and mechanical properties of the energetic material bicyclo-HMX have been studied. The crystal structure optimized by the LDA/CA-PZ method compares well with the experimental data. Band structure and density of states calculations indicate that bicyclo-HMX is an insulator with the band gap of ca. 3.4 eV and the N-NO(2) bond is the reaction center. The pressure effect on the bulk structure and properties has been investigated in the range of 0-400 GPa. The crystal structure and electronic character change slightly as the pressure increases from 0 to 10 GPa; when the pressure is over 10 GPa, further increment of the pressure determines significant changes of the structures and large broadening of the electronic bands together with the band gap decreasing sharply. There is a larger compression along the c-axis than along the a- and b-axes. To investigate the influence of temperature on the bulk structure and properties, isothermal-isobaric MD simulations are performed on bicyclo-HMX in the temperature range of 5-400 K. It is found that the increase of temperature does not significantly change the crystal structure. The thermal expansion coefficients calculated for the model indicate anisotropic behavior with slightly larger expansion along the a- and c-axes than along the b-axis.

  2. Toxicity and bioconcentration evaluation of RDX and HMX using sheepshead minnows in water exposures.

    PubMed

    Lotufo, Guilherme R; Gibson, Alfreda B; Yoo, J Leslie

    2010-10-01

    Lethal effects of the explosives RDX and HMX were assessed using ten-day water exposures to juvenile sheepshead minnows (Cyprinodon variegatus). For RDX, maximum mortality occurred during the first two days of exposure with a 10-d median lethal concentration (LC50) of 9.9 mg L(-1). The RDX 10-d median lethal residue (LR50) was 9.6 mg kg(-1) (34.9 μmol kg(-1)) wet weight (ww), the first RDX critical body residue reported for fish. Previous investigations reported that RDX body residues in marine amphipods up to 96 μmol kg(-1) ww and in marine mussels up to 86 μmol kg(-1) ww failed to result in significant mortality. The highest HMX concentration tested, corresponding to its apparent solubility limit in seawater (2.0 mg L(-1)), and the associated mean body residue (3 mg kg(-1) or 14 μmol kg(-1) ww) resulted in no significant mortality for exposed minnows. The mean 10-d bioconcentration factors for RDX (0.6-0.9 L kg(-1)) and HMX (0.3-1.6 L kg(-1)) were typically lower than 1, reflecting the low bioaccumulative potential for these compounds.

  3. Compaction of granular HMX: P-α porosity model in CTH hydrocode

    NASA Astrophysics Data System (ADS)

    Mahon, K. S.; Lee, T.-W.

    2015-12-01

    Compaction waves traveling through porous cyclotetramethylene-tetranitramine (HMX) are computationally modeled using the Eulerian hydrocode CTH and validated with gas gun experimental data. The method employed use of a newly generated set of P-α parameters for granular HMX in a Mie-Gruneisen equation of state. The P-α model adds a separate parameter to differentiate between the volume changes of a solid material due to compression from the volume change due to compaction, void collapse in a granular material. Computational results are compared via five validation schema for two different initial-porosity experiments. These schema include stress measurements, velocity rise times and arrival times, elastic sound speeds though the material and final compaction densities for a series of two different percent Theoretical Maximum Density (TMD) HMX sets of experimental data. There is a good agreement between the simulations and the experimental gas gun data with the largest source of error being an 11% overestimate of the peak stress which may be due to impedance mismatch on the experimental gauge interface. Determination of these P-α parameters are important as they enable modeling of porosity and are a vital first step in modeling of precursory hotspots, caused by hydrodynamic collapse of void regions or grain interactions, prior to deflagration to detonation transition of granular explosives.

  4. Role of soil organic carbon and colloids in sorption and transport of TNT, RDX and HMX in training range soils.

    PubMed

    Sharma, Prasesh; Mayes, Melanie A; Tang, Guoping

    2013-08-01

    Contamination of soils and groundwater by munitions compounds (MCs) is of significant concern at many U.S. Department of Defense sites. Soils were collected from operational training ranges in Maryland (APG), Massachusetts (MMR-B and MMR-E) and Washington (JBLM) and sorption and transport studies were conducted to investigate the effects of soil organic carbon (OC) and textural clay content on fate of dissolved MCs (TNT, RDX, HMX). Sorption experiments showed higher distribution coefficients [TNT:42-68 L kg(-1), RDX:6.9-8.7 L kg(-1) and HMX:2.6-3.1 L kg(-1)] in OC rich soils (JBLM, MMR-E) compared to clay rich soils (MMR-B and APG) [TNT:19-21 L kg(-1), RDX:2.5-3.4 L kg(-1), HMX:0.9-1.2 L kg(-1)]. In column experiments, breakthrough of MCs was faster in MMR-B and APG compared to MMR-E and JBLM soils. Among TNT, RDX and HMX, breakthrough was fastest for RDX followed by HMX and TNT for all columns. Defining the colloidal fraction as the difference between unfiltered samples and samples filtered with a 3 kDa filter, ~36%, ~15% and ~9% of TNT, RDX and HMX were found in the colloidal fraction in the solutions from sorption experiments, and around 20% of TNT in the effluent from the transport experiments. Results demonstrate that OC rich soils may enhance sorption and delay transport of TNT, RDX and HMX compared to clay-rich soils. Further, transport of TNT may be associated with soil colloid mobilization.

  5. Synthesis, characterization and thermolysis studies on 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT): A key precursor in the synthesis of most powerful benchmark energetic materials (RDX/HMX) of today.

    PubMed

    Radhakrishnan, S; Talawar, M B; Venugopalan, S; Narasimhan, V L

    2008-04-15

    This paper reports studies undertaken on 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT). The synthesis of DPT was carried out by the nitration of hexamine based on the lines of reported method with minor modification. DPT was characterized by elemental analysis, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) and (1)H nuclear magnetic resonance (NMR) techniques. Thermal stability of DPT was studied using thermogravimetry (TG) and differential scanning calorimetry (DSC). The thermal analysis studies revealed that DPT undergoes decomposition at 211 degrees C. Decomposition of DPT using TG-FTIR indicated the evolution of carbon dioxide, water and oxides of nitrogen as main gaseous products. The electrochemical behavior of DPT was studied using cyclic voltammetric (CV) studies. The experimentally determined sensitivity parameters indicated the insensitive nature of DPT towards external stimuli. The performance parameters of DPT, RDX and HMX have been computed using Linear Output Thermodynamic User Friendly Software for Energetic Systems (LOTUSES) code. The predicted properties of DPT are interesting and important from the point of process technology and/or safety. The work reported in this paper enriches the existing scanty research and development data on one of the key precursor used for synthesis of important high energy materials (HEMs).

  6. Assessment of technical viability of eliminating alcohol in the shipment of bulk RDX/HMX: Final report

    SciTech Connect

    Pal, B.C.; Gove, R.M.

    1988-10-03

    It is customary in the US to add isopropyl alcohol to the bulk shipment of water-wet high explosives RDX and HMX. The explosives are packed in cloth bags which are placed in plastic-lined drums. The addition of alcohol presumably prevents mildewing of cloth bags and freezing of the wet explosives in cold weather. In Europe, however, these explosives are shipped in polyethylene-lined fiber drums with not less that 15% water only, even in cold weather, following the United Nations recommendations. Water-wet frozen RDX has not proved to be any more sensitive than its unfrozen counterpart and no mildew problem has been encountered. It looks promising that the US Department of Transportation regulations can be changed to permit the bulk shipment of these explosives in water only without the addition of isopropyl alcohol. The anticipated benefits are annual peacetime packaging cost saving of $323,900 ($107,400 from alcohol elimination and $216,500 from replacement of cloth bags by polyethylene bags) and elimination of the environmental impact of the release of isopropyl alcohol at the consumer end. (58 refs., 9 figs., 10 tabs.)

  7. Carbon and nitrogen isotope ratios of factory-produced RDX and HMX.

    PubMed

    Howa, John D; Lott, Michael J; Chesson, Lesley A; Ehleringer, James R

    2014-07-01

    RDX and HMX are explosive compounds commonly used by the military and also occasionally associated with acts of terrorism. The isotopic characterization of an explosive can be a powerful approach to link evidence to an event or an explosives cache. We sampled explosive products and their reactants from commercial RDX manufacturers that used the direct nitration and/or the Bachmann synthesis process, and then analyzed these materials for carbon and nitrogen isotope ratios. For manufacturers using the Bachmann process, RDX (13)C enrichment relative to the hexamine substrate was small (+0.9‰) compared to RDX produced using the direct nitration process (+8.2‰ to +12.0‰). RDX (15)N depletion relative to the nitrogen-containing substrates (-3.6‰) was smaller in the Bachmann process than in the direct nitration process (-12.6‰ to -10.6‰). The sign and scale of these differences agree with theorized mechanisms of mass-dependent fractionation. We also examined the isotopic relationship between RDX and HMX isolated from explosive samples. The δ(13)C and δ(15)N values of RDX generally matched those of the HMX with few exceptions, most notably from a manufacturer known to make RDX using two different synthesis processes. The range in δ(13)C values of RDX in a survey of 100 samples from 12 manufacturers spanned 33‰ while the range spanned by δ(15)N values was 26‰; these ranges were much greater than any previously published observations. Understanding the relationship between products and reactants further explains the observed variation in industrially manufactured RDX and can be used as a diagnostic tool to analyze explosives found at a crime scene.

  8. Deflagration-to-detonation in granular HMX: Ignition, kinetics, and shock formation

    SciTech Connect

    McAfee, J.M.; Asay, B.W.; Bdzil, J.B.

    1993-06-01

    Experimental studies and analysis of the deflagration-to detonation transition (DDT) in granular HMX are continued. Experiments performed using a direct-gasless igniter exhibit the same phenomenology as those ignited with a piston. Simple kinetics and mechanics describe the formation of the {approximately}100% TMD plug in terms of competing pressurization processes. A mass-conservation analysis of the experimentally observed structures shows how the low velocities characteristic of convective burning are amplified to shock-wave velocities through non-convective processes.

  9. Shock initiation studies of low density HMX using electromagnetic particle velocity and PVDF stress gauges

    SciTech Connect

    Sheffield, S.A.; Gustavsen, R.L.; Alcon, R.R.; Graham, R.A.; Anderson, M.U.

    1993-09-01

    Magnetic particle velocity and PVDF stress rate gauges have been used to measure the shock response of low density octotetramethylene tetranitramine (HMX) (1.24 &/cm{sup 3}). In experiments done at LANL, magnetic particle velocity gauges were located on both sides of the explosive. In nearly identical experiments done at SNL, PVDF stress rate gauges were located at the same positions so both particle velocity and stress histories were obtained for a particular experimental condition. Unreacted Hugoniot data were obtained and an EOS was developed by combining methods used by Hayes, Sheffield and Mitchell (for describing the Hugoniot of HNS at various densities) with Hermann`s P-{alpha} model. Using this technique, it is only necessary to know some thermodynamic constants or the Hugoniot of the initially solid material and the porous material sound speed to obtain accurate unreacted Hugoniots for the porous explosive. Loading and reaction paths were established in the stress-particle velocity plane for some experimental conditions. This information was used to determine a global reaction rate of {approx} 0.13 {mu}s{sup {minus}1} for porous HMX shocked to 0.8 GPa. At low input stresses the transmitted wave profiles had long rise times (up to 1 {mu}s) due to the compaction processes.

  10. Time-resolved spectroscopic studies of detonating heterogeneous explosives. [HMX and HNS

    SciTech Connect

    Trott, W.M.; Renlund, A.M.

    1985-01-01

    Emission spectroscopy and pulsed-laser-excited Raman scattering methods have been applied to the study of detonating heterogeneous explosives, including PETN, HMX and HNS. Time-resolved spectra of emission from detonating HNS show the evolution of features due to electronically-excited radical species. For HNS, the CN(B-X) system near 388 nm has been studied at a wavelength resolution of 0.5 A. Boltzmann vibrational temperatures have been calculated by comparing the experimental data with computer-simulated spectra. These temperatures are consistent with the expected trend of detonation temperature as a function of charge density. Using 532-nm laser excitation, single-pulse Raman scattering measurements have been made at the free surface of detonating HMX and PETN samples. Monotonic attenuation of Raman scattering intensity over a 100-ns interval is observed after detonation front arrival at the free surface. Depletion of the Raman signal occurs prior to significant loss of the scattered laser light. The significance of the Raman measurements as a possible probe of reaction zone length in detonating explosives is discussed. 21 refs., 11 figs.

  11. Predicting Elastic Properties of β-HMX from First-principles Calculations

    NASA Astrophysics Data System (ADS)

    Peng, Qing; Rahul, -; Wang, Guangyu; Liu, Gui-Rong; Grimme, Stefan; de, Suvranu

    2015-03-01

    We investigate the performance of the van der Waals (vdW) functions in predicting the elastic constants of the β-polymorph of cyclotetramethylene tetranitramine (HMX) energetic molecular crystal using density functional theory (DFT) calculations. We confirm that the accuracy of the elastic constants is significantly improved using the vdW corrections with environment dependent C6 together with PBE and revised PBE exchange-correlation functionals. The elastic constants obtained using PBE-D3(0) calculations yield the most accurate mechanical response of β-HMX, with compared to the experimental stress-strain data. The PBEsol without vdW corrections can also predict the elastic constants well. Our results suggest that PBE-D3 calculations are reliable in predicting the elastic constants of this material. The authors would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant # HDTRA1-13-1-0025, and the Office of Naval Research grants ONR Award # N00014-08-1-0462 and # N00014-12-1-0527.

  12. Analysis of Compaction Shock Interactions During DDT of Low Density HMX

    NASA Astrophysics Data System (ADS)

    Rao, Pratap; Gonthier, Keith

    2015-06-01

    Deflagration-to-Detonation Transition (DDT) within low density HMX often occurs by a complex mechanism that involves compaction shock interactions. Piston driven DDT experiments indicate that detonation can be abruptly triggered by the interaction of a strong combustion driven shock and a lead piston supported shock, where the nature of the interaction depends on initial density and lead shock strength. These shocks induce dissipation and thermomechanical fluctuations at the meso-scale due to pore collapse resulting in hot-spots. Inert meso-scale simulations of successive shock loading of low density HMX are performed to examine how dissipation and hot-spot formation are affected by initial density, and lead and trailing shock strength. Emphasis is placed on interpreting solutions in a phase space expressed in terms of effective pressure and dissipative work because of their relevance to hot-spot formation. Meso-scale predictions are shown to compare favorably to those given by a macro-scale theory. This information is being used to formulate a dissipation-dependent reactive burn model to describe shock desensitization and DDT. Preliminary redictions will be presented that illustrate how initial density and input shock strength can affect the transition mechanism. This research is supported by the Defense Threat Reduction Agency (DTRA) under sponsor Award Number HDTRA1-10-1-0018, and the Air Force Research Laboratory (AFRL-RWME) under sponsor Award Number FA8651-09-0021.

  13. Electronic properties of RDX and HMX: Compton scattering experiment and first-principles calculation.

    PubMed

    Ahuja, B L; Jain, Pradeep; Sahariya, Jagrati; Heda, N L; Soni, Pramod

    2013-07-11

    The first-ever electron momentum density (EMD) measurements of explosive materials, namely, RDX (1,3,5-trinitro-1,3,5-triazacyclohexane, (CH2-N-NO2)3) and HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane, (CH2-N-NO2)4), have been reported using a 740 GBq (137)Cs Compton spectrometer. Experimental Compton profiles (CPs) are compared with the EMDs derived from linear combination of atomic orbitals with density functional theory. It is found that the CPs deduced from generalized gradient approximation (GGA) with Wu-Cohen exchange energies give a better agreement with the corresponding experimental profiles than those from local density approximation and other schemes of GGA. Further, Mulliken population, energy bands, partial and total density of states, and band gap have also been reported using GGA calculations. Present ground state calculations unambiguously show large band gap semiconductor nature of both RDX and HMX. A similar type of bonding in these materials is uniquely established using Compton data and density of states. It is also outstandingly consistent with the Mulliken population, which predicts almost equal amount of charge transfer (0.84 and 0.83 e(-)) from H1 + H2 + N2 to C1 + N1 + O1 + O2 in both the explosives.

  14. Anaerobic transformation of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) by ovine rumen microorganisms.

    PubMed

    Perumbakkam, Sudeep; Craig, A M

    2012-01-01

    Explosives such as octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) provide a challenge in terms of bioremediation. In the present study, sheep rumen was studied for its potential to detoxify HMX using analytical chemistry and molecular microbial ecology tools. Results indicated significant loss (p < 0.05) of HMX at 8 h post-incubation and complete disappearance of the parent molecule after 16 h. Qualitative LC-MS/MS analysis provided evidence for the formation of 1-NO-HMX and MEDINA metabolites. A total of 1006 16S rRNA-V3 clones were sequenced and the Classifier tool of the RDPII database was used to sort the sequences at their phylum level. Most sequences were associated with either the phylum Bacteroidetes or Firmicutes. Significant differences at the phylum level (p < 0.001) were found between 0 h and 8 h HMX treatments. Using LibCompare analysis, 8 h HMX treatment showed enrichment of clones (p < 0.01) belonging to the genus Prevotella. From these results, it could be concluded that members of the genus Prevotella are enriched in the rumen and are capable of detoxifying HMX.

  15. A distal 594 bp ECR specifies Hmx1 expression in pinna and lateral facial morphogenesis and is regulated by the Hox-Pbx-Meis complex.

    PubMed

    Rosin, Jessica M; Li, Wenjie; Cox, Liza L; Rolfe, Sara M; Latorre, Victor; Akiyama, Jennifer A; Visel, Axel; Kuramoto, Takashi; Bobola, Nicoletta; Turner, Eric E; Cox, Timothy C

    2016-07-15

    Hmx1 encodes a homeodomain transcription factor expressed in the developing lateral craniofacial mesenchyme, retina and sensory ganglia. Mutation or mis-regulation of Hmx1 underlies malformations of the eye and external ear in multiple species. Deletion or insertional duplication of an evolutionarily conserved region (ECR) downstream of Hmx1 has recently been described in rat and cow, respectively. Here, we demonstrate that the impact of Hmx1 loss is greater than previously appreciated, with a variety of lateral cranioskeletal defects, auriculofacial nerve deficits, and duplication of the caudal region of the external ear. Using a transgenic approach, we demonstrate that a 594 bp sequence encompassing the ECR recapitulates specific aspects of the endogenous Hmx1 lateral facial expression pattern. Moreover, we show that Hoxa2, Meis and Pbx proteins act cooperatively on the ECR, via a core 32 bp sequence, to regulate Hmx1 expression. These studies highlight the conserved role for Hmx1 in BA2-derived tissues and provide an entry point for improved understanding of the causes of the frequent lateral facial birth defects in humans. PMID:27287804

  16. A comparative study of chemical kinetics models for HMX in mesoscale simulations of shock initiation due to void collapse

    NASA Astrophysics Data System (ADS)

    Rai, Nirmal; Schweigert, Igor; Udaykumar, H. S.

    2015-06-01

    The development of chemical kinetics schemes for use in modeling the reactive mechanics of energetic materials such as HMX has been an active area of research. Decomposition, deflagration and detonation models need to predict time to ignition and locations of onset of chemical reaction in energetic materials when used in meso- and macro-scale simulations. Modeling the chemical processes and development of appropriate kinetic law is challenging work because of lack of experimental data. However, significant work has been done in this area. Multistep kinetic models by Tarver and Tran, Henson and Smilowitz have provided plausible chemical kinetic rate laws for HMX. These models vary in the way they model the details of the decomposition process. Hence, a comparative study of different models will provide an understanding of the uncertainties involved in predicting ignition in HMX. In the current work, hot-spot ignition due to void collapse in shock compressed HMX has been analyzed using several reaction rate models, including the Tarver-Tran 4-equation model, the Henson-Smilowitz 7-equation model, and a new rate model that combines the condensed-phase decomposition rates measured by Brill et al and the detailed mechanism of nitramine flame chemistry due to Yetter et al. The chemical models have been incorporated in a massively parallel Eulerian code SCIMITAR3D. The variations in the predicted thresholds due to differences in the rate models will be discussed.

  17. A Non-Coding Genomic Duplication at the HMX1 Locus Is Associated with Crop Ears in Highland Cattle

    PubMed Central

    Koch, Caroline Tina; Bruggmann, Rémy; Tetens, Jens; Drögemüller, Cord

    2013-01-01

    Highland cattle with congenital crop ears have notches of variable size on the tips of both ears. In some cases, cartilage deformation can be seen and occasionally the external ears are shortened. We collected 40 cases and 80 controls across Switzerland. Pedigree data analysis confirmed a monogenic autosomal dominant mode of inheritance with variable expressivity. All affected animals could be traced back to a single common ancestor. A genome-wide association study was performed and the causative mutation was mapped to a 4 Mb interval on bovine chromosome 6. The H6 family homeobox 1 (HMX1) gene was selected as a positional and functional candidate gene. By whole genome re-sequencing of an affected Highland cattle, we detected 6 non-synonymous coding sequence variants and two variants in an ultra-conserved element at the HMX1 locus with respect to the reference genome. Of these 8 variants, only a non-coding 76 bp genomic duplication (g.106720058_106720133dup) located in the conserved region was perfectly associated with crop ears. The identified copy number variation probably results in HMX1 misregulation and possible gain-of-function. Our findings confirm the role of HMX1 during the development of the external ear. As it is sometimes difficult to phenotypically diagnose Highland cattle with slight ear notches, genetic testing can now be used to improve selection against this undesired trait. PMID:24194898

  18. Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

    PubMed

    Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

    2016-07-14

    We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives. PMID:27307079

  19. Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

    PubMed

    Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

    2016-07-14

    We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives.

  20. A LC-MS method allowing the analysis of HMX and RDX present at the picogram level in natural aqueous samples without a concentration step.

    PubMed

    Vigneau, Olivier; Machuron-Mandard, Xavier

    2009-03-15

    The introduction of chloroform into the nebulising gas of a LC/MS electrospray interface (ESI), in a perfectly controlled way, leads to the formation of intense adducts ([M+Cl](-)) when a mobile phase containing HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane or octogen) and RDX (1,3,5-trintro-1,3,5-triazacyclohexane or hexogen) is eluted. This LC/MS method allows the direct analysis of aqueous samples containing HMX and RDX at the pictogram level without a concentration step. The method is used to determine HMX and RDX concentrations in ground water samples from a military site.

  1. Liquid chromatography/electrospray ionization tandem mass spectrometry analysis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

    PubMed

    Pan, Xiaoping; Zhang, Baohong; Tian, Kang; Jones, Lindsey E; Liu, Jun; Anderson, Todd A; Wang, Jia-Sheng; Cobb, George P

    2006-01-01

    A quantitative liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) method was developed for the analysis of the explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). In negative ionization mode, HMX forms an acetate adduct ion [M + CH(3)COO](-), m/z 355, in the presence of a small amount of acetic acid in the mobile phase. The ESI collision-induced dissociation (CID) spectrum of m/z 355 was acquired and the transitions m/z 355 --> 147 and m/z 355 --> 174 were chosen for the determination of HMX in samples. Using this quantification technique, the method detection limit was 1.57 microg/L and good linearity was achieved in the range 5-500 microg/L. This method will help to unambiguously analyze environmentally relevant concentrations of HMX.

  2. Experimental and TD-DFT study of optical absorption of six explosive molecules: RDX, HMX, PETN, TNT, TATP, and HMTD.

    PubMed

    Cooper, Jason K; Grant, Christian D; Zhang, Jin Z

    2013-07-25

    Time dependent density function theory (TD-DFT) has been utilized to calculate the excitation energies and oscillator strengths of six common explosives: RDX (1,3,5-trinitroperhydro-1,3,5-triazine), β-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), TATP (triacetone triperoxide), HMTD (hexamethylene triperoxide diamine), TNT (2,4,6-trinitrotoluene), and PETN (pentaerythritol tetranitrate). The results were compared to experimental UV-vis absorption spectra collected in acetonitrile. Four computational methods were tested including: B3LYP, CAM-B3LYP, ωB97XD, and PBE0. PBE0 outperforms the other methods tested. Basis set effects on the electronic energies and oscillator strengths were evaluated with 6-31G(d), 6-31+G(d), 6-31+G(d,p), and 6-311+G(d,p). The minimal basis set required was 6-31+G(d); however, additional calculations were performed with 6-311+G(d,p). For each molecule studied, the natural transition orbitals (NTOs) were reported for the most prominent singlet excitations. The TD-DFT results have been combined with the IPv calculated by CBS-QB3 to construct energy level diagrams for the six compounds. The results suggest optimization approaches for fluorescence based detection methods for these explosives by guiding materials selections for optimal band alignment between fluorescent probe and explosive analyte. Also, the role of the TNT Meisenheimer complex formation and the resulting electronic structure thereof on of the quenching mechanism of II-VI semiconductors is discussed. PMID:23432018

  3. Experimental and TD-DFT study of optical absorption of six explosive molecules: RDX, HMX, PETN, TNT, TATP, and HMTD.

    PubMed

    Cooper, Jason K; Grant, Christian D; Zhang, Jin Z

    2013-07-25

    Time dependent density function theory (TD-DFT) has been utilized to calculate the excitation energies and oscillator strengths of six common explosives: RDX (1,3,5-trinitroperhydro-1,3,5-triazine), β-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), TATP (triacetone triperoxide), HMTD (hexamethylene triperoxide diamine), TNT (2,4,6-trinitrotoluene), and PETN (pentaerythritol tetranitrate). The results were compared to experimental UV-vis absorption spectra collected in acetonitrile. Four computational methods were tested including: B3LYP, CAM-B3LYP, ωB97XD, and PBE0. PBE0 outperforms the other methods tested. Basis set effects on the electronic energies and oscillator strengths were evaluated with 6-31G(d), 6-31+G(d), 6-31+G(d,p), and 6-311+G(d,p). The minimal basis set required was 6-31+G(d); however, additional calculations were performed with 6-311+G(d,p). For each molecule studied, the natural transition orbitals (NTOs) were reported for the most prominent singlet excitations. The TD-DFT results have been combined with the IPv calculated by CBS-QB3 to construct energy level diagrams for the six compounds. The results suggest optimization approaches for fluorescence based detection methods for these explosives by guiding materials selections for optimal band alignment between fluorescent probe and explosive analyte. Also, the role of the TNT Meisenheimer complex formation and the resulting electronic structure thereof on of the quenching mechanism of II-VI semiconductors is discussed.

  4. Modeling energy dissipation induced by quasi-static compaction of granular HMX

    NASA Astrophysics Data System (ADS)

    Gonthier, K. A.; Menikoff, R.; Son, S. F.; Asay, B. W.

    1998-07-01

    A simple extension of a conventional two-phase continuum model of Deflagration-to-Detonation Transition (DDT) in energetic granular material is given to account for energy dissipation induced by quasi-static compaction. To this end, the conventional model equations are supplemented by a relaxation equation that accounts for irreversible changes in solid volume fraction due to intergranular friction, plastic deformation of granules, and granule fracture. The proposed model, which is consistent with the Second Law of Thermodynamics for a two-phase mixture, is demonstrated by applying it to the quasi-static compaction of granular HMX. The model predicts results commensurate with experimental data including stress relaxation and substantial dissipation; such phenomena have not been previously accounted for by two-phase DDT models.

  5. Model calculations and experimental measurements of the response of HMX porous beds to deflagration and shock

    SciTech Connect

    Aldis, D.F.; Lee, E.L.; Simpson, R.L.; Weston, A.M.

    1989-08-04

    The experimental research on the response of porous beds of HMX has yielded a body of evidence which includes accurate measurements of gas flow, compaction ratio, detonation transit distance and time. As the experimental research has progressed, we have developed a 1D numerical model (1DUCT) to describe this response in a special hydrodynamic code in which the gas phase is allowed to flow through a solid phase. Gas phase relative velocity is limited to be subsonic. In addition we have developed special constitutive and fluid EOS models (2DUCT) for use with the 2D Lagrange hydrocode, DYNA2D, in which there is no cell to cell gas phase mass transfer. Our study strategy was to analyze several, very different experiments to derive values of phenomenological parameters in the model. These experiments include squib ignited events where relative gas flow is important and compression ignition tests where it is not. 26 refs., 18 figs.

  6. Modeling energy dissipation induced by quasi-static compaction of granular HMX

    SciTech Connect

    Gonthier, K.A.; Menikoff, R.; Son, S.F.; Asay, B.W.

    1997-11-01

    A simple extension of a conventional two-phase (inert gas and reactive solid) continuum model of Deflagration-to-Detonation Transition (DDT) in energetic granular material is given to account for energy dissipation induced by quasi-static compaction. To this end, the conventional model equations,, valid in the limit of negligible gas phase effects, are supplemented by a relaxation equation governing irreversible changes in solid volume fraction due to intergranular friction, plastic deformation of granules, and granule fracture. The proposed model constitutes a non-strictly hyperbolic system of equations, and is consistent with the Second Law of Thermodynamics for a two-phase mixture. The model predicts stress relaxation and substantial dissipation induced by quasi-static compaction; such phenomena are commonly observed in quasi-static compaction experiments for granular HMX. Predicted intergranular stress histories compare well with experimental data.

  7. Modeling energy dissipation induced by quasi-static compaction of granular HMX

    SciTech Connect

    Gonthier, K.A.; Menikoff, R.; Son, S.F.; Asay, B.W.

    1998-07-01

    A simple extension of a conventional two-phase continuum model of Deflagration-to-Detonation Transition (DDT) in energetic granular material is given to account for energy dissipation induced by quasi-static compaction. To this end, the conventional model equations are supplemented by a relaxation equation that accounts for irreversible changes in solid volume fraction due to intergranular friction, plastic deformation of granules, and granule fracture. The proposed model, which is consistent with the Second Law of Thermodynamics for a two-phase mixture, is demonstrated by applying it to the quasi-static compaction of granular HMX. The model predicts results commensurate with experimental data including stress relaxation and substantial dissipation; such phenomena have not been previously accounted for by two-phase DDT models. {copyright} {ital 1998 American Institute of Physics.}

  8. Vibrational and Thermal Properties of β-HMX and TATB from Dispersion Corrected Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Landerville, Aaron; Oleynik, Ivan

    2015-06-01

    Dispersion Corrected Density Functional Theory (DFT+vdW) calculations are performed to predict vibrational and thermal properties of the bulk energetic materials (EMs) β-octahydrocyclotetramethylene-tetranitramine (β-HMX) and triaminotrinitrobenzene (TATB). DFT+vdW calculations of optimized unit cells along the hydrostatic equation of state are followed by frozen-phonon calculations of their respective vibration spectra. These are then used under the quasi-harmonic approximation to obtain zero-point and thermal free energy contributions to the pressure, resulting in PVT equations of state for each material that is in excellent agreement with experiment. Further, heat capacities, thermal expansion coefficients, and Gruneissen parameters as functions of temperature are calculated and compared with experiment. The vibrational properties, including phonon densities of states and pressure dependencies of individual modes, are also analyzed and compared with experiment.

  9. Ground-state features in the THz spectra of molecular clusters of β-HMX.

    PubMed

    Huang, Lulu; Shabaev, Andrew; Lambrakos, Samuel G; Massa, Lou

    2012-10-01

    We present calculations of absorption spectra arising from molecular vibrations at THz frequencies for molecular clusters of the explosive HMX using density functional theory (DFT). The features of these spectra can be shown to follow from the coupling of vibrational modes. In particular, the coupling among ground-state vibrational modes provides a reasonable molecular-level interpretation of spectral features associated with the vibrational modes of molecular clusters. THz excitation from the ground state is associated with frequencies that characteristically perturb molecular electronic states, in contrast to frequencies, which are usually substantially above the mid-infrared (mid-IR) range, that can induce appreciable electronic-state transition. Owing to this characteristic of THz excitation, one is able to make a direct association between local oscillations about ground-state minima of molecules, either isolated or comprising a cluster, and THz absorption spectra. The DFT software program GAUSSIAN was used for the calculations of the absorption spectra presented here.

  10. Abundance and diversity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)-metabolizing bacteria in UXO-contaminated marine sediments.

    PubMed

    Zhao, Jian-Shen; Manno, Dominic; Hawari, Jalal

    2007-03-01

    Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is a toxic explosive known to be resistant to biodegradation. In this study, we found that sediment collected from two unexploded ordnance (UXO) disposal sites (UXO-3, UXO-5) and one nearby reference site (midref) in Hawaii contained anaerobic bacteria capable of removing HMX. Two groups of HMX-removing bacteria were found in UXO-5: group I contained aerotolerant anaerobes and microaerophiles, and group II contained facultative anaerobes. In UXO-3 and midref sediments, HMX-metabolizing bacteria were strictly anaerobic (group III and group IV). Using 16S rRNA sequencing, group I was assigned to a novel phylogenetic cluster of Clostridiales, and groups II and III were related to Paenibacillus and Tepidibacter of Firmicutes, respectively. Group IV bacteria were identified as Desulfovibrio of Deltaproteobacteria. Using [UL-(14)C]-HMX, group IV isolates were found to mineralize HMX (26.8% in 308 d) as determined by liberated (14)CO(2), but negligible mineralization was observed in groups I-III. Resting cells of isolates metabolized HMX to N(2)O and HCHO via the intermediary formation of 1-nitroso-octahydro-3,5,7-trinitro-1,3,5,7-tetrazocine together with methylenedinitramine. These experimental findings suggest that HMX biotransformation occurred either via initial denitration followed by ring cleavage or via reduction of one or more of the N-NO(2) group(s) to the corresponding N-NO bond(s) prior to ring cleavage.

  11. Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations.

    PubMed

    Wen, Yushi; Zhang, Chaoyang; Xue, Xianggui; Long, Xinping

    2015-05-14

    Clustering is experimentally and theoretically verified during the complicated processes involved in heating high explosives, and has been thought to influence their detonation properties. However, a detailed description of the clustering that occurs has not been fully elucidated. We used molecular dynamic simulations with an improved reactive force field, ReaxFF_lg, to carry out a comparative study of cluster evolution during the early stages of heating for three representative explosives: 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), β-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and pentaerythritol tetranitrate (PETN). These representatives vary greatly in their oxygen balance (OB), molecular structure, stability and experimental sensitivity. We found that when heated, TATB, HMX and PETN differ in the size, amount, proportion and lifetime of their clusters. We also found that the clustering tendency of explosives decreases as their OB becomes less negative. We propose that the relationship between OB and clustering can be attributed to the role of clustering in detonation. That is, clusters can form more readily in a high explosive with a more negative OB, which retard its energy release, secondary decomposition, further decomposition to final small molecule products and widen its detonation reaction zone. Moreover, we found that the carbon content of the clusters increases during clustering, in accordance with the observed soot, which is mainly composed of carbon as the final product of detonation or deflagration. PMID:25872486

  12. Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations.

    PubMed

    Wen, Yushi; Zhang, Chaoyang; Xue, Xianggui; Long, Xinping

    2015-05-14

    Clustering is experimentally and theoretically verified during the complicated processes involved in heating high explosives, and has been thought to influence their detonation properties. However, a detailed description of the clustering that occurs has not been fully elucidated. We used molecular dynamic simulations with an improved reactive force field, ReaxFF_lg, to carry out a comparative study of cluster evolution during the early stages of heating for three representative explosives: 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), β-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and pentaerythritol tetranitrate (PETN). These representatives vary greatly in their oxygen balance (OB), molecular structure, stability and experimental sensitivity. We found that when heated, TATB, HMX and PETN differ in the size, amount, proportion and lifetime of their clusters. We also found that the clustering tendency of explosives decreases as their OB becomes less negative. We propose that the relationship between OB and clustering can be attributed to the role of clustering in detonation. That is, clusters can form more readily in a high explosive with a more negative OB, which retard its energy release, secondary decomposition, further decomposition to final small molecule products and widen its detonation reaction zone. Moreover, we found that the carbon content of the clusters increases during clustering, in accordance with the observed soot, which is mainly composed of carbon as the final product of detonation or deflagration.

  13. Front curvature and rate stick data on formulations containing DAAF, TATB, RDX and HMX including diameter and temperature effects

    NASA Astrophysics Data System (ADS)

    Francois, Elizabeth Green; Sanders, V. Eric; Morris, John

    2012-03-01

    A test series was conducted on formulations containing TATB and RDX (PBXN-7), TATB and HMX (PBXW-14) and DAAF and HMX where corner turning and detonation propagation data were measured. Corner turning is a function of temperature and can be used to evaluate the completeness of explosive work. In order to show cold temperature performance behavior, this test was developed to compare the front curvature of these materials at a variety of diameters, explosive compositions, and temperatures. Shots were fired at ambient and -55 °C. The test apparatus developed for this lends itself to streak imaging across the pellet face, and time of arrival scope data from magnet wire embedded between the pellets. The test set up, fixturing and data analysis will be discussed. The results of the shots showed interesting diameter effects on the detonation velocity of the formulations and gave an excellent comparison of the relative curvatures as a function of temperature.

  14. Chemotaxis-mediated biodegradation of cyclic nitramine explosives RDX, HMX, and CL-20 by Clostridium sp. EDB2.

    PubMed

    Bhushan, Bharat; Halasz, Annamaria; Thiboutot, Sonia; Ampleman, Guy; Hawari, Jalal

    2004-04-01

    Cyclic nitramine explosives, RDX, HMX, and CL-20 are hydrophobic pollutants with very little aqueous solubility. In sediment and soil environments, they are often attached to solid surfaces and/or trapped in pores and distribute heterogeneously in aqueous environments. For efficient bioremediation of these explosives, the microorganism(s) must access them by chemotaxis ability. In the present study, we isolated an obligate anaerobic bacterium Clostridium sp. strain EDB2 from a marine sediment. Strain EDB2, motile with numerous peritrichous flagella, demonstrated chemotactic response towards RDX, HMX, CL-20, and NO(2)(-). The three explosives were biotransformed by strain EDB2 via N-denitration with concomitant release of NO(2)(-). Biotransformation rates of RDX, HMX, and CL-20 by the resting cells of strain EDB2 were 1.8+/-0.2, 1.1+/-0.1, and 2.6+/-0.2nmol h(-1)mgwet biomass(-1) (mean+/-SD; n=3), respectively. We found that commonly seen RDX metabolites such as TNX, methylenedinitramine, and 4-nitro-2,4-diazabutanal neither produced NO(2)(-) during reaction with strain EDB2 nor they elicited chemotaxis response in strain EDB2. The above data suggested that NO(2)(-) released from explosives during their biotransformation might have elicited chemotaxis response in the bacterium. Biodegradation and chemotactic ability of strain EDB2 renders it useful in accelerating the bioremediation of explosives under in situ conditions. PMID:15033473

  15. Simultaneous thermogravimetric modulated beam mass spectrometry and time-of-flight velocity spectra measurements of thermal decomposition products from HMX and RDX

    SciTech Connect

    Behrens, R. Jr.

    1987-01-01

    Simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and time-of-flight (TOF) velocity spectra measurements of the time-dependent thermal decomposition products from HMX and RDX show two primary reaction channels. One is a condensed phase autocatalytic reaction that produces N/sub 2/O, H/sub 2/CO, 1-nitoso-3,5,7-trinitro-1,3,5,7-tetrazacyclooctane, and a hydrocarbon-like nonvolatile residue (NVR) as its final products. The other is a gas phase reaction that produces NO/sub 2/, H/sub 2/O, NO and hydroxy-s-triazine as its final products. The catalyst in the condensed phase reaction is probably formaldehyde, the NVR, or both. The gas phase channel appears to be a chain reaction that may be initiated by the abstraction of a hydrogen atom from a CH/sub 2/ group. Under the conditions of these experiments, the HMX decomposes only through the condensed phase channel and the RDX decomposes through both channels. To assure that only thermal decomposition products are measured with the mass spectrometer, the ion fragmentation of HMX was measured as a function of electron energy. Ion fragmentation of HMX was observed down to 12.4 eV indicating that appearance potential measurements do not eliminate ion signals from ion fragmentation of the HMX reactant.

  16. Large Area and Short-Pulse Shock Initiation of a Tatb/hmx Mixed Explosive

    NASA Astrophysics Data System (ADS)

    Guiji, Wang; Chengwei, Sun; Jun, Chen; Cangli, Liu; Jianheng, Zhao; Fuli, Tan; Ning, Zhang

    2007-12-01

    The large area and short-pulse shock initiation experiments on the plastic bonded mixed explosive of TATB(80%) and HMX(15%) have been performed with an electric gun where a Mylar flyer of 10-19 mm in diameter and 0.05˜0.30 mm in thickness was launched by an electrically exploding metallic bridge foil. The cylindrical explosive specimens (Φ16 mm×8 mm in size) were initiated by the Mylar flyers in thickness of 0.07˜0.20 mm, which induced shock pressure in specimen was of duration ranging from 0.029 to 0.109 μs. The experimental data were treated with the DRM(Delayed Robbins-Monro) procedure and to provide the initiation threshold of flyer velocities at 50% probability are 3.398˜1.713 km/s and that of shock pressure P 13.73˜5.23 GPa, respectively for different pulse durations. The shock initiation criteria of the explosive specimen at 50% and 100% probabilities are yielded. In addition, the 30° wedged sample was tested and the shock to detonation transition (SDT) process emerging on its inclined surface was diagnosed with a device consisting of multiple optical fiber probe, optoelectronic transducer and digital oscilloscope. The POP plot of the explosive has been gained from above SDT data.

  17. Large Area and Short Pulsed Shock Initiation of A TATB/HMX Mixed Explosive

    NASA Astrophysics Data System (ADS)

    Wang, Guiji; Sun, Chengwei; Chen, Jun; Liu, Cangli; Tan, Fuli; Zhang, Ning

    2007-06-01

    The large area and short pulsed shock initiation experiment on a plastic bonded mixed explosive of TATB(80%) and HMX(15%) has been performed with an electric gun where a mylar flyer of 19mm in diameter and 0.05˜0.30mm in thickness is launched by an electrically exploding metallic bridge foil. The cylindrical explosive specimens (φ16mm x 8mm in size) were initiated by the mylar flyers in thickness of 0.07˜0.20mm, which induced shock pressure in specimen was of duration ranging 0.029˜0.109μs. The experimental data were treated with the DRM(Delayed Robbins-Monro) procedure and to provide the threshold of shock pressure P 13.73˜5.23GPa. The shock initiation criterion of the explosive specimen is (P/GPa)^1.451(τ/μs) = 1.2. Meanwhile the criterion in 100% probability in the experiment is (P/GPa)^1.8(τ/μs) = 2.63. In addition, the 30^o wedged specimen was tested and the shock to detonation transition (SDT) process emerging on its inclined surface was diagnosed with a device consisting of multiple optical fiber probe, optoelectronic transducer and digital oscilloscope. The POP plot of the explosive has been gained from above SDT data.

  18. Modeling the material strength and equations of state of beta-HMX from both first-principles calculations and molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Peng, Qing; Wang, Guangyu; Liu, G. R.; de, Suvranu

    2015-06-01

    We investigate the elastic constants and equations of state (EOS) of the β-polymorph of cyclotetramethylene tetranitramine (HMX) energetic molecular crystal using density functional theory (DFT) calculations. The combination of vdW-DF2 van der Waals functionals and PBE exchange-correlation functionals gives optimized results. The DFT results are used to optimize the Reactive Force Field (ReaxFF). The material strength and EOS of beta-HMX at finite temperatures are then predicted from ReaxFF molecular dynamics simulations. Our results suggest that the optimized ReaxFF predicts the mechanics and EOS of beta-HMX well. The authors would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant # HDTRA1-13-1-0025.

  19. Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.

    PubMed

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

    2016-06-22

    Molecular modification of known explosives is considered to be an efficient route to design new energetic materials. A new family of energetic salts based on the 3,5-bis(dinitromethyl)-1,2,4-triazole monoanion and dianion were controllably synthesized by using 1-diamino-2,2-dinitroethene as a precursor. X-ray structure determination of monohydrazinium 3,5-bis(dinitromethyl)-1,2,4-triazolate (5) and monoammonium (6) and diammonium 3,5-bis(dinitromethyl)-1,2,4-triazolate hydrate (8·H2O) further confirmed the structures of these anions. In addition, as supported by X-ray data, in the monoanion system, the roving proton on the ring nitrogen rather than on the gem-dinitro carbon results in extensive hydrogen-bonding interactions and higher packing coefficients. Interestingly, 5 and 6 possess the highest calculated crystal densities, 1.965 and 1.957 g cm(-3) at 150 K, for hydrazinium and ammonium energetic salts, respectively. Energetic evaluation indicates that 5 (detonation velocity vD = 9086 m s(-1); detonation pressure P = 38.7 GPa) and 6 (vD, 9271 m s(-1); P = 41.0 GPa) exhibit great detonation properties, superior to those of current highly explosive benchmarks, such as 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). PMID:27267735

  20. Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.

    PubMed

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

    2016-06-22

    Molecular modification of known explosives is considered to be an efficient route to design new energetic materials. A new family of energetic salts based on the 3,5-bis(dinitromethyl)-1,2,4-triazole monoanion and dianion were controllably synthesized by using 1-diamino-2,2-dinitroethene as a precursor. X-ray structure determination of monohydrazinium 3,5-bis(dinitromethyl)-1,2,4-triazolate (5) and monoammonium (6) and diammonium 3,5-bis(dinitromethyl)-1,2,4-triazolate hydrate (8·H2O) further confirmed the structures of these anions. In addition, as supported by X-ray data, in the monoanion system, the roving proton on the ring nitrogen rather than on the gem-dinitro carbon results in extensive hydrogen-bonding interactions and higher packing coefficients. Interestingly, 5 and 6 possess the highest calculated crystal densities, 1.965 and 1.957 g cm(-3) at 150 K, for hydrazinium and ammonium energetic salts, respectively. Energetic evaluation indicates that 5 (detonation velocity vD = 9086 m s(-1); detonation pressure P = 38.7 GPa) and 6 (vD, 9271 m s(-1); P = 41.0 GPa) exhibit great detonation properties, superior to those of current highly explosive benchmarks, such as 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

  1. Front curvature and rate stick data on formulations containing DAAF, TATB, RDX and HMX including diameter and temperature effects

    NASA Astrophysics Data System (ADS)

    Francois, Elizabeth; Sanders, Eric V.; Morris, John

    2011-06-01

    A test series was conducted on formulations containing TATB and RDX (PBXN-7), TATB and HMX (PBXW-14) and DAAF and HMX where corner turning and detonation propagation data are measured. Corner turning is a function of temperature and can be used to evaluate the completeness of explosive work. In order to show cold temperature performance behavior, this test was developed to compare the front curvature of these materials at a variety of diameters, explosive compositions, and temperature. Shots were fired at ambient temperatures and -55°C. The test apparatus developed for this lends itself to streak imagining across the pellet face, and time of arrival scope data from magnet wire embedded between the pellets. The test set up, fixturing and data analysis will be discussed. The results of the shots showed interesting diameter effects on the detonation velocity of the formulations and gave an excellent comparison of the relative curvatures. Quantitative data in the form of Dn (κ) curves are generated from the measured detonation velocity (Do) and wave profile.

  2. Thermal decomposition of energetic materials 52; On the foam zone and surface chemistry of rapidly decomposing HMX

    SciTech Connect

    Palopoli, S.F.; Brill, T.B. )

    1991-10-01

    In this paper studies designed to perturb selected surface and foam zone reactions characteristic of burning HMX are described. This was done by determining the gas product ratios from carefully controlled fast thermal decomposition ({gt}100 K/s) of a thin film of HMX in atmospheres of Ar, H{sub 2}, O{sub 2}, CO, NO, NO{sub 2}, and NH{sub 3}. The results are correlated with experimental combustion data and thermochemical modeling studies of nitramines. A consistent picture about some of the probable reactions in the heterogeneous foam and fizz zones emerges. H{sub 2}, CO, O{sub 2}, and NO affect the secondary thermolysis reactions in these zones. NH{sub 3} appears to affect both the primary and secondary reactions, while NO{sub 2} is directly involved in primary decomposition reactions. HNCO and CH{sub 2}O appear to be products from secondary condensed phase reactions. The results suggest that NH{sub x} sites and NO{sub 2} are catalyzable species for burn-rate modification of nitramine propellants.

  3. High strength forgeable tantalum base alloy

    NASA Technical Reports Server (NTRS)

    Buckman, R. W., Jr.

    1975-01-01

    Increasing tungsten content of tantalum base alloy to 12-15% level will improve high temperature creep properties of existing tantalum base alloys while retaining their excellent fabrication and welding characteristics.

  4. Comparison of the thermal decompositions of HMX and 2,4-DNI for evaluation of slow cookoff response and long-term stability

    SciTech Connect

    Minier, L.; Behrens, R.; Bulusu, S.

    1995-12-01

    Thermal decomposition of HMX between 175C and 200C was studied using the simultaneous thermogravimetric modulated beam mass spectrometer with focus on initial stages of the decomposition. Thermal decomposition products are the same as in previous higher temperature experiments. The initial stages of the decomposition have an induction period followed by two acceleratory periods. Arrhenius parameters for the induction and two acceleratory periods are (Log(A)= 18.2 {plus_minus} 0.8, Ea = 48.2 {plus_minus} 1.8 kcal/mole), (Log (A) = 17.15 {plus_minus} 1.5 and Ea = 48.9 {plus_minus} 3.2 kcal/mole), (Log (A) = 19.1 {plus_minus} 3.0 and Ea = 52.1 {plus_minus} 6.3 kcal/mole). This data can be used to calculate the time and temperature required to decompose a desired fraction of a test sample testing the effect of thermal degradation on sensitivity or bum rates. It can also be used to estimate the extent of decomposition expected under normal storage conditions for munitions containing HMX. This data, along with previous mechanistic studies conducted at higher temperatures, suggest that the process that controls the early stages of decomposition of HMX in the solid phase is scission of the N-NO{sub 2} bond, reaction of the N0{sub 2} within a lattice cage to form the mononitroso analogue of HMX and decomposition of the mononitroso HMX within the HMX lattice to form gaseous products that are retained in bubbles or diffuse into the surrounding lattice. These methods evaluating HMX can be used to evaluate new energetic materials such as 2,4-DNI. The early 2,4-DNI thermal decomposition is characterized by an initial decomposition, an apparent induction period, then an initial acceleratory period. The main gaseous products are NO, C0{sub 2}, HNCO, H{sub 2}0, N{sub 2}, CO, HCN and C{sub 2}N{sub 2}. The presence of adsorbed and occluded H{sub 2}0 is the major cause of the early decomposition.

  5. Pressure Wave Measurements from Thermal Cook-off of an HMX Based Explosive

    SciTech Connect

    Forbes, J W; Tarver, C M; Urtiew, P A; Garcia, F; Greenwood, D W; Vandersall, K S

    2001-05-09

    A better understanding of thermal cook-off is important for safe handling and storing explosive devices. A number of safety issues exist about what occurs when a cased explosive thermally cooks off. For example, violence of the events as a function of confinement are important for predictions of collateral damage. This paper demonstrates how adjacent materials can be gauged to measure the resulting pressure wave and how this wave propagates in this adjacent material. The output pulse from the thermal cook-off explosive containing fixture is of obvious interest for assessing many scenarios.

  6. Low amplitude impact testing and analysis of pristine and aged solid high explosives

    SciTech Connect

    Chidester, S K; Garza, R; Tarver, C M

    1998-08-17

    The critical impact velocities of 60.1 mm diameter blunt steel projectiles required for ignition of exothermic chemical reaction were determined for heavily confined charges of new and aged (15-30 years) solid HMX-based high explosives. The explosives in order of decreasing impact sensitivity were: PBX 9404; LX-lo; LX-14; PBX 9501; and LX-04. Embedded pressure gauges measured the interior pressure histories. Stockpile aged LX-04 and PBX 9501 from dismantled units were tested and compared to freshly pressed charges. The understanding of explosive aging on impact ignition and other hazards must improve as systems are being deployed longer than their initial estimated lifetimes. The charges that did not react on the first impact were subjected to multiple impacts. While the violence of reaction increased with impact velocity, it remained much lower than that produced by an intentional detonation. Ignition and Growth reactive flow models were developed to predict HMX-based explosive impact sensitivity in other geometries and scenarios.

  7. High performance pitch-based carbon fiber

    SciTech Connect

    Tadokoro, Hiroyuki; Tsuji, Nobuyuki; Shibata, Hirotaka; Furuyama, Masatoshi

    1996-12-31

    The high performance pitch-based carbon fiber with smaller diameter, six micro in developed by Nippon Graphite Fiber Corporation. This fiber possesses high tensile modulus, high tensile strength, excellent yarn handle ability, low thermal expansion coefficient, and high thermal conductivity which make it an ideal material for space applications such as artificial satellites. Performance of this fiber as a reinforcement of composites was sufficient. With these characteristics, this pitch-based carbon fiber is expected to find wide variety of possible applications in space structures, industrial field, sporting goods and civil infrastructures.

  8. Ab initio studies of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine/1,3-dimethyl-2-imidazolidinone cocrystal under high pressure using dispersion corrected density functional theory

    SciTech Connect

    Gu, Bang-Ming; Lin, He; Zhu, Shun-Guan

    2014-04-14

    A detailed study of structural, electronic, and thermodynamic properties of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)/1,3-dimethyl-2-imidazolidinone (DMI) cocrystal under the hydrostatic pressure of 0–100 GPa was performed by using dispersion-corrected density functional theory (DFT-D) method. The calculated crystal structure is in reasonable agreement with the experimental data at the ambient pressure. Based on the analysis of lattice constants, bond lengths, bond angles, and dihedral angles under compression, it is found that HMX molecules in HMX/DMI cocrystal are seriously distorted. In addition, as the pressure increases, the band gap decreases gradually, which suggests that HMX/DMI cocrystal is becoming more metallic. Some important intermolecular interactions between HMX and DMI are also observed in the density of states spectrum. Finally, its thermodynamic properties were characterized, and the results show that HMX/DMI cocrystal is more easily formed in the low pressure.

  9. A Distributed Activation Energy Model of Thermodynamically Inhibited Nucleation and Growth Reactions and its Application to the beta-delta Phase Transition of HMX

    SciTech Connect

    Burnham, A K; Weese, R K; Weeks, B L

    2004-06-18

    Detailed and global models are presented for thermodynamically inhibited nucleation-growth reactions and applied to the {beta}-{delta} Phase Transition of HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). The detailed model contains separate kinetic parameters for the nucleation process, including an activation energy distribution resulting from a distribution of defect energies, and for movement of the resulting reaction interface within a single particle. A thermodynamic inhibition term is added to both processes so that the rates go to zero at the transition temperature. The global model adds the thermodynamic inhibition term to the extended Prout-Tompkins nucleation-growth formalism for single particles or powders. Model parameters are calibrated from differential scanning calorimetry data. The activation energy for nucleation (333 kJ/mol) is substantially higher than that for growth (29.3 kJ/mol). Use of a small activation energy distribution ({approx}400 J/mol) for the defects improves the fit to a powered sample for both the early and late stages of the transition. The effective overall activation energy for the global model (208.8 kJ/mol) is in between that of nucleation and growth. Comparison of the two models with experiment indicates the thermodynamic inhibition term is more important than the energy distribution feature for this transition. Based on the applicability of the Prout-Tompkins kinetics approach to a wide range of organic and inorganic materials, both models should have equally broad applicability for thermodynamically constrained reactions.

  10. A Distributed Activation Energy Model of Thermodynamically Inhibited Nucleation and Growth Reactions and its Application to the Phase Transition of HMX

    SciTech Connect

    Burnham, A K; Weese, R K; Weeks, B L

    2004-07-20

    Detailed and global models are presented for thermodynamically inhibited nucleation-growth reactions and applied to the {beta}-{delta} Phase Transition of HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). The detailed model contains separate kinetic parameters for the nucleation process, including an activation energy distribution resulting from a distribution of defect energies, and for movement of the resulting reaction interface within a single particle. A thermodynamic inhibition term is added to both processes so that the rates go to zero at the transition temperature. The global model adds the thermodynamic inhibition term to the extended Prout-Tompkins nucleation-growth formalism for single particles or powders. Model parameters are calibrated from differential scanning calorimetry data. The activation energy for nucleation (333 kJ/mol) is substantially higher than that for growth (29.3 kJ/mol). Use of a small activation energy distribution ({approx}400 J/mol) for the defects improves the fit to a powered sample for both the early and late stages of the transition. The effective overall activation energy for the global model (208.8 kJ/mol) is in between that of nucleation and growth. Comparison of the two models with experiment indicates the thermodynamic inhibition term is more important than the energy distribution feature for this transition. Based on the applicability of the Prout-Tompkins kinetics approach to a wide range of organic and inorganic materials, both models should have equally broad applicability for thermodynamically constrained reactions.

  11. Method and apparatus for synthesizing HMX and N/sub 2/O/sub 5/. [Patent application; cyclotetramethylenetetraamine

    DOEpatents

    McGuire, R.R.; Coon, C.L.; Harrar, J.E.; Pearson, R.K.

    1982-07-20

    A method and apparatus for electrochemically synthesizing N/sub 2/O/sub 5/ includes oxidizing a solution of N/sub 2/O/sub 4//HNO/sub 3/ at an anode, while maintaining a controlled potential between the N/sub 2/O/sub 4//HNO/sub 3/ solution and the anode. A potential of about 1.35 to 2.0V vs. SCE is preferred, while a potential of about 1.80V vs. SCE is most preferred. Thereafter, the N/sub 2/O/sub 5/ is reacted with either 1.5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane (DADN) or 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane (TAT) to form cyclotetramethylenetetraamine (HMX).

  12. Investigating the fate of nitroaromatic (TNT) and nitramine (RDX and HMX) explosives in fractured and pristine soils.

    PubMed

    Douglas, Thomas A; Walsh, Marianne E; McGrath, Christian J; Weiss, Charles A

    2009-01-01

    Explosives compounds, known toxins, are loaded to soils on military training ranges predominantly during explosives detonation events that likely fracture soil particles. This study was conducted to investigate the fate of explosives compounds in aqueous slurries containing fractured and pristine soil particles. Three soils were crushed with a piston to emulate detonation-induced fracturing. X-ray diffraction, energy-dispersive X-ray spectrometry, gas adsorption surface area measurements, and scanning electron microscopy were used to quantify and image pristine and fractured soil particles. Aqueous batches were prepared by spiking soils with solutions containing 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), octahydro 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), and 2,4-dinitrotoluene (2,4-DNT). Samples were collected over 92 d and the concentrations of the spiked explosives compounds and TNT transformation products 2-amino-4,6-dinitrotoluene (2ADNT) and 4-amino-2,6-dinitrotoluene (4ADNT) were measured. Our results suggest soil mineralogical and geochemical compositions were not changed during piston-induced fracturing but morphological differences were evident with fractured soils exhibiting more angular surfaces, more fine grained particles, and some microfracturing that is not visible in the pristine samples. TNT, 2,4-DNT, RDX, and HMX exhibited greater analyte loss over time in batch solutions containing fractured soil particles compared to their pristine counterparts. 2ADNT and 4ADNT exhibited greater concentrations in slurries containing pristine soils than in slurries containing fractured soils. Explosives compound transformation is greater in the presence of fractured soil particles than in the presence of pristine soil particles. Our results imply fractured soil particles promote explosive compound transformation and/or explosives compounds have a greater affinity for adsorption to fractured soil particle surfaces.

  13. Simulating Thermal Explosion of Octahydrotetranitrotetrazine-based explosives: Model Comparison with Experiment

    SciTech Connect

    Yoh, J J; McClelland, M A; Maienschein, J L; Nichols, A L; Tarver, C M

    2006-02-07

    The authors compare two-dimensional model results with measurements for the thermal, chemical and mechanical behavior in a thermal explosion experiment. Confined high explosives are heated at a rate of 1 C per hour until an explosion is observed. The heating, ignition, and deflagration phases are modeled using an Arbitrarily Lagrangian-Eulerian code (ALE3D) that can handle a wide range of time scales that vary from a structural to a dynamic hydro time scale. During the pre-ignition phase, quasi-static mechanics and diffusive thermal transfer from a heat source to the HE are coupled with the finite chemical reactions that include both endothermic and exothermic processes. Once the HE ignites, a hydro dynamic calculation is performed as a burn front propagates through the HE. Two octahydrotetranitrotetrazine (HMX)-based explosives, LX-04 and LX-10, are considered, whose chemical-thermal-mechanical models are constructed based on measurements of thermal and mechanical properties along with small scale thermal explosion measurements. The present HMX modeling work shows very first violence calculations with thermal predictions associated with a confined thermal explosion test. The simulated dynamic response of HE confinement during the explosive phase is compared to measurements in larger scale thermal explosion tests. The explosion temperatures for both HE's are predicted to within 1 C. Calculated and measured wall strains provide an indication of vessel pressurization during the heating phase and violence during the explosive phase.

  14. Simulating thermal explosion of octahydrotetranitrotetrazine-based explosives: Model comparison with experiment

    NASA Astrophysics Data System (ADS)

    Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Nichols, Albert L.; Tarver, Craig M.

    2006-10-01

    A model comparison with measurements for the thermal, chemical, and mechanical behaviors in a thermal explosion experiment is presented. Confined high explosives (HEs) are heated at a rate of 1°C/h until an explosion is observed. The heating, ignition, and deflagration phases are modeled using an arbitrarily Lagrangian-Eulerian (ALE3D) code that can handle a wide range of time scales that vary from a structural to a hydrodynamic time scale. During the preignition phase, quasistatic mechanics and diffusive thermal transfer from a heat source to the HE are coupled with the finite chemical reactions that include both endothermic and exothermic processes. Once the HE ignites, a hydrodynamic calculation is performed as a burn front propagates through the HE. Two octahydrotetranitrotetrazine (HMX)-based explosives, LX-04 and LX-10, are considered, whose chemical-thermal-mechanical models are constructed based on measurements of thermal and mechanical properties along with small-scale thermal explosion measurements. The present HMX modeling work shows the violence calculations with thermal predictions associated with a confined thermal explosion test. The simulated dynamic response of HE confinement during the explosive phase is compared to measurements in larger scale thermal explosion tests. The explosion temperatures for both HEs are predicted to within 1°C. Calculated and measured wall strains provide an indication of vessel pressurization during the heating phase and violence during the explosive phase.

  15. DWT-Based High Capacity Audio Watermarking

    NASA Astrophysics Data System (ADS)

    Fallahpour, Mehdi; Megías, David

    This letter suggests a novel high capacity robust audio watermarking algorithm by using the high frequency band of the wavelet decomposition, for which the human auditory system (HAS) is not very sensitive to alteration. The main idea is to divide the high frequency band into frames and then, for embedding, the wavelet samples are changed based on the average of the relevant frame. The experimental results show that the method has very high capacity (about 5.5kbps), without significant perceptual distortion (ODG in [-1, 0] and SNR about 33dB) and provides robustness against common audio signal processing such as added noise, filtering, echo and MPEG compression (MP3).

  16. High sensitivity cymbal-based accelerometer

    SciTech Connect

    Sun Chengliang; Lam, K.H.; Choy, S.H.; Chan, H.L. W.; Zhao, X.-Z.; Choy, C.L.

    2006-03-15

    A high sensitivity piezoelectric accelerometer has been developed by replacing the conventional piezoelectric rings with a cymbal transducer. The sensitivity of the cymbal-based accelerometers containing cymbal transducers with different endcap thicknesses and different seismic masses has been measured as a function of driving frequency. Due to the high d{sub 33}{sup '} coefficient of the cymbal transducers, the cymbal-based accelerometers have a high sensitivity of {approx}97 pC/ms{sup -2} with the amplitude rise of 2.85% (<1 dB) at one-third of the mounted resonance frequency (3.38 kHz). The effect of the seismic mass, the resonance frequency, and d{sub 33}{sup '} coefficient of the cymbal transducers on the sensitivity and the frequency range of the cymbal-based accelerometers are reported.

  17. Intermetallic-Based High-Temperature Materials

    SciTech Connect

    Sikka, V.K.

    1999-04-25

    The intermetallic-based alloys for high-temperature applications are introduced. General characteristics of intermetallics are followed by identification of nickel and iron aluminides as the most practical alloys for commercial applications. An overview of the alloy compositions, melting processes, and mechanical properties for nickel and iron aluminizes are presented. The current applications and commercial producers of nickel and iron aluminizes are given. A brief description of the future prospects of intermetallic-based alloys is also given.

  18. A Fast Liquid Chromatography Tandem Mass Spectrometric Analysis of PETN (Pentaerythritol Tetranitrate), RDX (3,5-Trinitro-1,3,5-triazacyclohexane) and HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) in Soil, Utilizing a Simple Ultrasonic-Assisted Extraction with Minimum Solvent.

    PubMed

    Anilanmert, Beril; Aydin, Muhammet; Apak, Resat; Avci, Gülfidan Yenel; Cengiz, Salih

    2016-01-01

    Direct analyses of explosives in soil using liquid chromatography tandem mass spectrometry (LC-MS/MS) methods are very limited in the literature and require complex procedures or relatively high amount of solvent. A simple and rapid method was developed for the determination of pentaerythritol tetranitrate (PETN), 3,5-trinitro-1,3,5-triazacyclohexane (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), which are among the explosives used in terrorist attacks. A one-step extraction method for 1.00 g soil with 2.00 mL acetonitrile, and a 8-min LC-MS/MS method was developed. The detection limits for PETN, RDX and HMX were 5.2, 8.5 and 3.4 ng/g and quantitation limits were 10.0, 24.5, 6.0 ng/g. The intermediate precisions and Horwitz Ratio's were between 4.10 - 13.26% and 0.24 - 0.98, in order. This method was applied to a model post-blast debris collected from an artificial explosion and real samples collected after a terrorist attack in Istanbul. The method is easy and fast and requires less solvent use than other methods. PMID:27302580

  19. Phosphonate Based High Nuclearity Magnetic Cages.

    PubMed

    Sheikh, Javeed Ahmad; Jena, Himanshu Sekhar; Clearfield, Abraham; Konar, Sanjit

    2016-06-21

    Transition metal based high nuclearity molecular magnetic cages are a very important class of compounds owing to their potential applications in fabricating new generation molecular magnets such as single molecular magnets, magnetic refrigerants, etc. Most of the reported polynuclear cages contain carboxylates or alkoxides as ligands. However, the binding ability of phosphonates with transition metal ions is stronger than the carboxylates or alkoxides. The presence of three oxygen donor sites enables phosphonates to bridge up to nine metal centers simultaneously. But very few phosphonate based transition metal cages were reported in the literature until recently, mainly because of synthetic difficulties, propensity to result in layered compounds, and also their poor crystalline properties. Accordingly, various synthetic strategies have been followed by several groups in order to overcome such synthetic difficulties. These strategies mainly include use of small preformed metal precursors, proper choice of coligands along with the phosphonate ligands, and use of sterically hindered bulky phosphonate ligands. Currently, the phosphonate system offers a library of high nuclearity transition metal and mixed metal (3d-4f) cages with aesthetically pleasing structures and interesting magnetic properties. This Account is in the form of a research landscape on our efforts to synthesize and characterize new types of phosphonate based high nuclearity paramagnetic transition metal cages. We quite often experienced synthetic difficulties with such versatile systems in assembling high nuclearity metal cages. Few methods have been emphasized for the self-assembly of phosphonate systems with suitable transition metal ions in achieving high nuclearity. We highlighted our journey from 2005 until today for phosphonate based high nuclearity transition metal cages with V(IV/V), Mn(II/III), Fe(III), Co(II), Ni(II), and Cu(II) metal ions and their magnetic properties. We observed that

  20. On the low pressure shock initiation of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine based plastic bonded explosives

    NASA Astrophysics Data System (ADS)

    Vandersall, Kevin S.; Tarver, Craig M.; Garcia, Frank; Chidester, Steven K.

    2010-05-01

    In large explosive and propellant charges, relatively low shock pressures on the order of 1-2 GPa impacting large volumes and lasting tens of microseconds can cause shock initiation of detonation. The pressure buildup process requires several centimeters of shock propagation before shock to detonation transition occurs. In this paper, experimentally measured run distances to detonation for lower input shock pressures are shown to be much longer than predicted by extrapolation of high shock pressure data. Run distance to detonation and embedded manganin gauge pressure histories are measured using large diameter charges of six octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) based plastic bonded explosives (PBX's): PBX 9404; LX-04; LX-07; LX-10; PBX 9501; and EDC37. The embedded gauge records show that the lower shock pressures create fewer and less energetic "hot spot" reaction sites, which consume the surrounding explosive particles at reduced reaction rates and cause longer distances to detonation. The experimental data is analyzed using the ignition and growth reactive flow model of shock initiation in solid explosives. Using minimum values of the degrees of compression required to ignite hot spot reactions, the previously determined high shock pressure ignition and growth model parameters for the six explosives accurately simulate the much longer run distances to detonation and much slower growths of pressure behind the shock fronts measured during the shock initiation of HMX PBX's at several low shock pressures.

  1. A High Performance COTS Based Computer Architecture

    NASA Astrophysics Data System (ADS)

    Patte, Mathieu; Grimoldi, Raoul; Trautner, Roland

    2014-08-01

    Using Commercial Off The Shelf (COTS) electronic components for space applications is a long standing idea. Indeed the difference in processing performance and energy efficiency between radiation hardened components and COTS components is so important that COTS components are very attractive for use in mass and power constrained systems. However using COTS components in space is not straightforward as one must account with the effects of the space environment on the COTS components behavior. In the frame of the ESA funded activity called High Performance COTS Based Computer, Airbus Defense and Space and its subcontractor OHB CGS have developed and prototyped a versatile COTS based architecture for high performance processing. The rest of the paper is organized as follows: in a first section we will start by recapitulating the interests and constraints of using COTS components for space applications; then we will briefly describe existing fault mitigation architectures and present our solution for fault mitigation based on a component called the SmartIO; in the last part of the paper we will describe the prototyping activities executed during the HiP CBC project.

  2. Biodegradation of the cyclic nitramine explosives RDX, HMX, and CL-20.

    PubMed

    Crocker, Fiona H; Indest, Karl J; Fredrickson, Herbert L

    2006-11-01

    Cyclic nitramine explosives are synthesized globally mainly as military munitions, and their use has resulted in environmental contamination. Several biodegradation pathways have been proposed, and these are based mainly on end-product characterization because many of the metabolic intermediates are hypothetical and unstable in water. Biodegradation mechanisms for cyclic nitramines include (a) formation of a nitramine free radical and loss of nitro functional groups, (b) reduction of nitro functional groups, (c) direct enzymatic cleavage, (d) alpha-hydroxylation, or (e) hydride ion transfer. Pathway intermediates spontaneously decompose in water producing nitrite, nitrous oxide, formaldehyde, or formic acid as common end-products. In vitro enzyme and functional gene expression studies have implicated a limited number of enzymes/genes involved in cyclic nitramine catabolism. Advances in molecular biology methods such as high-throughput DNA sequencing, microarray analysis, and nucleic acid sample preparation are providing access to biochemical and genetic information on cultivable and uncultivable microorganisms. This information can provide the knowledge base for rational engineering of bioremediation strategies, biosensor development, environmental monitoring, and green biosynthesis of explosives. This paper reviews recent developments on the biodegradation of cyclic nitramines and the potential of genomics to identify novel functional genes of explosive metabolism. PMID:17058075

  3. Biodegradation of the cyclic nitramine explosives RDX, HMX, and CL-20.

    PubMed

    Crocker, Fiona H; Indest, Karl J; Fredrickson, Herbert L

    2006-11-01

    Cyclic nitramine explosives are synthesized globally mainly as military munitions, and their use has resulted in environmental contamination. Several biodegradation pathways have been proposed, and these are based mainly on end-product characterization because many of the metabolic intermediates are hypothetical and unstable in water. Biodegradation mechanisms for cyclic nitramines include (a) formation of a nitramine free radical and loss of nitro functional groups, (b) reduction of nitro functional groups, (c) direct enzymatic cleavage, (d) alpha-hydroxylation, or (e) hydride ion transfer. Pathway intermediates spontaneously decompose in water producing nitrite, nitrous oxide, formaldehyde, or formic acid as common end-products. In vitro enzyme and functional gene expression studies have implicated a limited number of enzymes/genes involved in cyclic nitramine catabolism. Advances in molecular biology methods such as high-throughput DNA sequencing, microarray analysis, and nucleic acid sample preparation are providing access to biochemical and genetic information on cultivable and uncultivable microorganisms. This information can provide the knowledge base for rational engineering of bioremediation strategies, biosensor development, environmental monitoring, and green biosynthesis of explosives. This paper reviews recent developments on the biodegradation of cyclic nitramines and the potential of genomics to identify novel functional genes of explosive metabolism.

  4. Deflagration Rate Measurements of Three Insensitive High Explosives: LLM-105, TATB, and DAAF

    SciTech Connect

    Glascoe, E A; Maienschein, J L; Lorenz, K T; Tan, N; Koerner, J G

    2010-03-08

    The pressure dependent deflagration rates of LLM-105, DAAF and TATB based formulations were measured in the LLNL high pressure strand burner. The role of binder amount, explosive type, and thermal damage and their effects on the deflagration rate will be discussed. One DAAF formulation, two different formulations of LLM-105, and four formulations of TATB were studied; results indicate that binder amount and type play a minor role in the deflagration behavior. This is in sharp contrast to the HMX based formulations which strongly depend on binder amount and type. The effect of preheating these samples was considerably more dramatic. In the case of LLM-105, preheating the sample appears to have little effect on the deflagration rate. In contrast, preheating DAAF and TATB formulations causes the deflagration rate to accelerate. The thermal and mechanical properties of these formulations will be discussed in the context of their pressure and temperature dependent deflagration rates.

  5. Tapered fiber based high power random laser.

    PubMed

    Zhang, Hanwei; Du, Xueyuan; Zhou, Pu; Wang, Xiaolin; Xu, Xiaojun

    2016-04-18

    We propose a novel high power random fiber laser (RFL) based on tapered fiber. It can overcome the power scaling limitation of RFL while maintaining good beam quality to a certain extent. An output power of 26.5 W has been achieved in a half-open cavity with one kilometer long tapered fiber whose core diameter gradually changes from 8 μm to 20 μm. The steady-state light propagation equations have been modified by taking into account the effective core area to demonstrate the tapered RFL through numerical calculations. The numerical model effectively describes the power characteristics of the tapered fiber based RFL, and both the calculating and experimental results show higher power exporting potential compared with the conventional single mode RFL. PMID:27137338

  6. Single and multiple impact ignition of new and aged high explosives in the Steven Impact Test

    SciTech Connect

    Chidester, S K; DePiero, A H; Garza, R G; Tarver, C M

    1999-06-01

    Threshold impact velocities for ignition of exothermic reaction were determined for several new and aged HMX-based solid high explosives using three types of projectiles in the Steven Test. Multiple impact threshold velocities were found to be approximately 10% lower in damaged charges that did not react in one or more prior impacts. Projectiles with protrusions that concentrate the friction work in a small volume of explosive reduced the threshold velocities by approximately 30%. Flat projectiles required nearly twice as high velocities for ignition as rounded projectiles. Blast overpressure gauges were used for both pristine and damaged charges to quantitatively measure reaction violence. Reactive flow calculations of single and multiple impacts with various projectiles suggest that the ignition rates double in damaged charges.

  7. Silver based batteries for high power applications

    NASA Astrophysics Data System (ADS)

    Karpinski, A. P.; Russell, S. J.; Serenyi, J. R.; Murphy, J. P.

    The present status of silver oxide-zinc technology and applications has been described by Karpinski et al. [A.P. Karpinski, B. Makovetski, S.J. Russell, J.R. Serenyi, D.C. Williams, Silver-Zinc: status of technology and applications, Journal of Power Sources, 80 (1999) 53-60], where the silver-zinc couple is still the preferred choice where high specific energy/energy density, coupled with high specific power/power density are important for high-rate, weight or size/configuration sensitive applications. Perhaps the silver oxide cathode can be considered one of the most versatile electrode materials. When coupled with other anodes and corresponding electrolyte management system, the silver electrode provides for a wide array of electrochemical systems that can be tailored to meet the most demanding, high power requirements. Besides zinc, the most notable include cadmium, iron, metal hydride, and hydrogen electrode for secondary systems, while primary systems include lithium and aluminum. Alloys including silver are also available, such as silver chloride, which when coupled with magnesium or aluminum are primarily used in many seawater applications. The selection and use of these couples is normally the result of a trade-off of many factors. These include performance, safety, risk, reliability, and cost. When high power is required, silver oxide-zinc, silver oxide-aluminum, and silver oxide-lithium are the most energetic. For moderate performance (i.e., lower power), silver oxide-zinc or silver-cadmium would be the system of choice. This paper summarizes the suitability of the silver-based couples, with an emphasis on the silver-zinc system, as primary or rechargeable power sources for high energy/power applications.

  8. High Performance Oxides-Based Thermoelectric Materials

    NASA Astrophysics Data System (ADS)

    Ren, Guangkun; Lan, Jinle; Zeng, Chengcheng; Liu, Yaochun; Zhan, Bin; Butt, Sajid; Lin, Yuan-Hua; Nan, Ce-Wen

    2015-01-01

    Thermoelectric materials have attracted much attention due to their applications in waste-heat recovery, power generation, and solid state cooling. In comparison with thermoelectric alloys, oxide semiconductors, which are thermally and chemically stable in air at high temperature, are regarded as the candidates for high-temperature thermoelectric applications. However, their figure-of-merit ZT value has remained low, around 0.1-0.4 for more than 20 years. The poor performance in oxides is ascribed to the low electrical conductivity and high thermal conductivity. Since the electrical transport properties in these thermoelectric oxides are strongly correlated, it is difficult to improve both the thermoelectric power and electrical conductivity simultaneously by conventional methods. This review summarizes recent progresses on high-performance oxide-based thermoelectric bulk-materials including n-type ZnO, SrTiO3, and In2O3, and p-type Ca3Co4O9, BiCuSeO, and NiO, enhanced by heavy-element doping, band engineering and nanostructuring.

  9. Small-angle X-ray analysis of the effect of grain size on the thermal damage of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7 tetrazocine-based plastic-bounded expolsives

    NASA Astrophysics Data System (ADS)

    Yan, Guan-Yun; Tian, Qiang; Liu, Jia-Hui; Chen, Bo; Sun, Guang-Ai; Huang, Ming; Li, Xiu-Hong

    2014-07-01

    The microstructure evolution of plastic-bonded explosives (PBXs) after thermal stimulus plays a key role in PBX performance. In this paper, the nanoscale pores of thermal-treated octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (HMX)-based PBXs with different HMX particle sizes [approximately 40 (FHP) and 100 μm (LHP)] were measured using small-angle X-ray scattering (SAXS). No obvious pore variations were found in the LHP samples heated at 160 °C for 6 h, whereas the amount of pores of FHP decreased when subjected to 160 °C for 6 h. At 180 °C, the average pore radii of FHP and LHP decreased from approximately 45 nm to 25 nm, and the total pore volume increased distinctively because of phase transformation. The LHP sample reached a high level of pore content after being held at 180 °C for 1 h, whereas FHP required 3 h. Both FHP and LHP had relatively high pore volumes when subjected to 200 °C for 1 and 3 h.

  10. Sensitivity of once-shocked, weathered high explosives

    SciTech Connect

    Williams, K.L.; Harris, B.W.

    1998-07-01

    Effects caused by stimulating once-shocked, weathered high explosives (OSW-HE) are investigated. The sensitivity of OSW-HE to mechanical stimuli was determined using standard industry tests. Some initial results are given. Pieces of OSW-HE were collected from active and inactive firing sites and from an area surrounding a drop tower at Los Alamos where skid and spigot tests were done. Samples evaluated were cast explosives or plastic bonded explosive (PBX) formulations containing cyclotrimethylenetrinitramine (RDX), cyclotetramethylene tetranitramine (HMX), 2,4,6-trinitrotoluene (TNT), mock or inert HE [tris(beta-chloroethyl)phosphate (CEF)], barium nitrate, cyanuric acid, talc, and Kel-F. Once-shocked, weathered LX-10 Livermore explosive [HMX/Viton A, (95/5 wt %)], PBX 9011 [HMX/Estane, (90/10 wt %)], PBX 9404 [HMX/nitrocellulose, tris(beta-chloroethyl) phosphate, (94/3/3 wt %)], Composition B or cyclotol (TNT/RDX explosives), and PBX 9007 (90% RDX, 9.1% styrene, 0.5% dioctyl phthalate, and 0.45 resin) were subjected to the hammer test, the drop-weight impact sensitivity test, differential thermal analysis (DTA), the spark test, the Henkin`s critical temperature test, and the flame test. Samples were subjected to remote, wet cutting and drilling; remote, liquid-nitrogen-cooled grinding and crushing; and scanning electron microscope (SEM) surface analyses for morphological changes.

  11. High weldability nickel-base superalloy

    DOEpatents

    Gibson, Robert C.; Korenko, Michael K.

    1980-01-01

    This is a nickel-base superalloy with excellent weldability and high strength. Its composition consists essentially of, by weight percent, 10-20 iron, 57-63 nickel, 7-18 chromium, 4-6 molybdenum, 1-2 niobium, 0.2-0.8 silicon, 0.01-0.05 zirconium, 1.0-2.5 titanium, 1.0-2.5 aluminum, 0.02-0.06 carbon, and 0.002-0.015 boron. The weldability and strength of this alloy give it a variety of applications. The long-time structural stability of this alloy together with its low swelling under nuclear radiation conditions, make it especially suitable for use as a duct material and controlling element cladding for sodium-cooled nuclear reactors.

  12. Alkaline hydrolysis of the cyclic nitramine explosives RDX, HMX, and CL-20: new insights into degradation pathways obtained by the observation of novel intermediates.

    PubMed

    Balakrishnan, Vimal K; Halasz, Annamaria; Hawari, Jalal

    2003-05-01

    Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX, I) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) hydrolyze at pH > 10 to form end products including NO2-, HCHO, HCOOH, NH3, and N2O, but little information is available on intermediates, apart from the tentatively identified pentahydro-3,5-dinitro-1,3,5-triazacyclohex-1-ene (II). Despite suggestions that RDX and HMX contaminated groundwater could be economically treated via alkaline hydrolysis, the optimization of such a process requires more detailed knowledge of intermediates and degradation pathways. In this study, we hydrolyzed the monocyclic nitramines RDX, MNX (hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine), and HMX in aqueous solution (pH 10-12.3) and found that nitramine removal was accompanied by formation of 1 molar equiv of nitrite and the accumulation of the key ring cleavage product 4-nitro-2,4-diazabutanal (4-NDAB, O2NNHCH2NHCHO). Most of the remaining C and N content of RDX, MNX, and HMX was found in HCHO, N2O, HCOOH, and NH3. Consequently, we selected RDX as a model compound and hydrolyzed it in aqueous acetonitrile solutions (pH 12.3) in the presence and absence of hydroxypropyl-beta-cyclodextrin (HP-beta-CD) to explore other early intermediates in more detail. We observed a transient LC-MS peak with a [M-H] at 192 Da that was tentatively identified as 4,6-dinitro-2,4,6-triaza-hexanal (O2NNHCH2NNO2CH2NHCHO, III) considered as the hydrolyzed product of II. In addition, we detected another novel intermediate with a [M-H] at 148 Da that was tentatively identified as a hydrolyzed product of III, namely, 5-hydroxy-4-nitro-2,4-diaza-pentanal (HOCH2NNO2CH2NHCHO, IV). Both III and IV can act as precursors to 4-NDAB. In the case of the polycyclic nitramine 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), denitration (two NO2-) also led to the formation of HCOOH, NH3, and N2O, but neither HCHO nor 4-NDAB were detected. The results provide strong evidence that initial denitration

  13. PRESSURE AND TEMPERATURE DEPENDENT DEFLAGRATION RATE MEASUREMENTS OF LLM-105 AND TATB BASED EXPLOSIVES

    SciTech Connect

    Glascoe, E A; Tan, N; Koerner, J; Lorenz, K T; Maienschein, J L

    2009-11-10

    The pressure dependent deflagration rates of LLM-105 and TATB based formulations were measured in the LLNL high pressure strand burner. The role of binder amount, explosive type, and thermal damage and their effects on the deflagration rate will be discussed. Two different formulations of LLM-105 and three formulations of TATB were studied and results indicate that binder amount and type play a minor role in the deflagration behavior. This is in sharp contrast to the HMX based formulations which strongly depend on binder amount and type. The effect of preheating these samples was considerably more dramatic. In the case of LLM-105, preheating the sample appears to have little effect on the deflagration rate. In contrast, preheating TATB formulations causes the deflagration rate to accelerate and become erratic. The thermal and mechanical properties of these formulations will be discussed in the context of their pressure and temperature dependent deflagration rates.

  14. Detonation Characteristics of Plastic Explosives Based on Attractive Nitramines with Polyisobutylene and Poly(methyl methacrylate) Binders

    NASA Astrophysics Data System (ADS)

    Elbeih, Ahmed; Pachman, Jiri; Zeman, Svatopluk; Vávra, Pavel; Trzciński, Waldemar A.; Akštein, zbyněk

    2012-10-01

    Four highly brisant nitramines, RDX (1,3,5-trinitro-1,3,5-triazinane), HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane), BCHMX (cis-1,3,4,6-tetranitro-octahydroimidazo-[4,5-d]imidazole), and ɛ-HNIW (ɛ-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane), were studied as extruded plastic explosives bonded by two plastic matrices based on polyisobutylene (C4 matrix) and poly-methylmethacrylate (plasticized by dioctyl-adipate) binders. The detonation velocities, D, were measured experimentally. Detonation parameters were also calculated by means of the Kamlet and Jacobs method and CHEETAH and EXPLO5 codes. These detonation parameters showed that plastic-bonded explosives (PBXs) based on BCHMX are more powerful explosives than those based on RDX. The Urizar coefficient for poly(methyl methacrylate) binder was also calculated.

  15. Reactive Force Fields Based on Quantum Mechanics for Applications to Materials at Extreme Conditions

    NASA Astrophysics Data System (ADS)

    van Duin, Adri C. T.; Zybin, Sergey V.; Chenoweth, Kimberley; Zhang, Luzheng; Han, Si-Ping; Strachan, Alejandro; Goddard, William A.

    2006-07-01

    Understanding the response of energetic materials (EM) to thermal or shock loading at the atomistic level demands a highly accurate description of the reaction dynamics of multimillion-atom systems to capture the complex chemical and mechanical behavior involved: nonequilibrium energy/mass transfer, molecule excitation and decomposition under high strain/heat rates, formation of defects, plastic flow, and phase transitions. To enable such simulations, we developed the ReaxFF reactive force fields based on quantum mechanics (QM) calculations of reactants, products, high-energy intermediates and transition states, but using functional forms suitable for large-scale molecular dynamics simulations of chemical reactions under extreme conditions. The elements of ReaxFF are: - charge distributions change instantaneously as atomic coordinates change, - all valence interactions use bond orders derived uniquely from the bond distances which in turn describe uniquely the energies and forces, - three body (angle) and four body (torsion and inversion) terms are allowed but not required, - a general "van der Waals" term describes short range Pauli repulsion and long range dispersion interactions, which with Coulomb terms are included between all pairs of atoms (no bond or angle exclusions), - no environmental distinctions are made of atoms involving the same element; thus every carbon has the same parameters whether in diamond, graphite, benzene, porphyrin, allyl radical, HMX or TATP. ReaxFF uses the same functional form and parameters for reactive simulations in hydrocarbons, polymers, metal oxides, and metal alloys, allowing mixtures of all these systems into one simulation. We will present an overview of recent progress in ReaxFF developments, including the extension of ReaxFF to nitramine-based (nitromethane, HMX) and peroxide-based (TATP) explosives. To demonstrate the versatility and transferability of ReaxFF, we also present applications to silicone polymer poly

  16. Elastic constants of B-HMX and tantalum, equations of state of supercritical fluids and fluid mixtures and thermal transport determinations

    SciTech Connect

    Zaug, J M

    1998-08-21

    Ultrasonic sound speed measurements via Impulsive Stimulated Light Scattering (ISLS) were made in single crystals of b-HMX and tantalum over an extended range of temperatures. Elastic constants are consequently determined for b-HMX. Sound speeds are calculated for tantalum, from known elastic constants, and compare favorably with the results presented here. ISLS time-domain fits of tantalum records allowed for thermal diffusion determinations and, correspondingly, thermal conductivity. Measurements of the speed of sound and of the thermal diffusivities of fluid oxygen up to pressures of 13 GPa and at several temperatures are presented. Between 0.1 and 13 GPa the fluid's density increases by a factor of three. Thermal diffusivities rise slowly over this range, and are substantially smaller than those previously measured for the solid b-phase. Additional sound speed measurements were made along the 250 C isotherm in a 1:1 molar ratio mixture of liquid oxygen and nitrogen. These experiments demonstrate the versatility and potential application of a new laboratory within the U. S. DOD and DOE complex. 1

  17. Thermal decomposition reactions of HMX and RDX and their importance in predicting cookoff hazards

    SciTech Connect

    Behrens, R. Jr.; Bulusu, S.

    1994-05-01

    To develop robust models for predicting the response of munitions under abnormal conditions associated with cookoff, it is necessary to be able to accurately characterize the following: the time to ignition, the location of the ignition point within the munition, and the combustive behavior of the damaged energetic material after ignition. For, the response of the munition, as controlled by these parameters, will determine whether its response will be characterized by a relatively mild deflagration or whether it will be characterized by a more damaging detonation. Several of the underlying properties of the energetic materials used in munitions that must be understood in order to accurately characterize these parameters are the chemical and physical changes that occur in these energetic materials as they are heated. The chemical changes involve overcoming the forces that tend to stabilize these materials, such as binding within the crystal lattice or intermolecular hydrogen bonding, and their transformation to less stable forms, such as mixtures of gases with high energy content. The physical changes typically involve phase changes of the material. One significant phase change is the slow transformation of the energetic materials from the solid reactant to gas phase products. This transformation can lead initially to the formation of high pressure gas bubbles within the solid particles and ultimately to changes in the porosity and gas permeability of the energetic material formulation. The presence of these reactive gases within high pressure bubbles can lead to increased hot spot formation of the material if it is compressed. The increased porosity can lead to significant increases in the burn rates of these materials at high pressures.

  18. Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials.

    PubMed

    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).

  19. Bis(4-nitraminofurazanyl-3-azoxy)azofurazan and Derivatives: 1,2,5-Oxadiazole Structures and High-Performance Energetic Materials.

    PubMed

    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). PMID:27511132

  20. High efficiency, high temperature separations on silica based monolithic columns.

    PubMed

    Rogeberg, Magnus; Wilson, Steven Ray; Malerod, Helle; Lundanes, Elsa; Tanaka, Nobuo; Greibrokk, Tyge

    2011-10-14

    The effect of temperature on separation using reversed-phase monolithic columns has been investigated using a nano-LC pumping system for gradient separation of tryptic peptides with MS detection. A goal of this study was to find optimal conditions for high-speed separations. The chromatographic performance of the columns was evaluated by peak capacity and peak capacity per time unit. Column lengths ranging from 20 to 100 cm and intermediate gradient times from 10 to 30 min were investigated to assess the potential of these columns in a final step separation, e.g. after fractionation or specific sample preparation. Flow rates from 250 to 2000 nL/min and temperatures from 20 to 120°C were investigated. Temperature had a significant effect on fast separations, and a flow rate of 2000 nL/min and a temperature of 80°C gave the highest peak capacity per time unit. These settings produced 70% more protein identifications in a biological sample compared to a conventional packed column. Alternatively, an equal amount of protein identifications was obtained with a 40% reduction in run time compared to the conventional packed column.

  1. Proposal for superstructure based high efficiency photovoltaics

    NASA Technical Reports Server (NTRS)

    Wagner, M.; Leburton, J. P.

    1986-01-01

    A novel class of cascade structures is proposed which features multijunction upper subcells, referred to as superstructure high-efficiency photovoltaics (SHEPs). The additional junctions enhance spectral response and improve radiation tolerance by reducing bulk recombination losses. This is important because ternary III-V alloys, which tend to have short minority-carrier diffusion lengths, are the only viable materials for the high-bandgap upper subcells required for cascade solar cells. Realistic simulations of AlGaAs SHEPs show that one-sun AM0 efficiencies in excess of 26 percent are possible.

  2. Kinetics of the {beta} {yields} {delta} Solid-Solid Transition of HMX, Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine

    SciTech Connect

    Weese, R K; Maienschein, J L; Perrino, C T

    2001-09-05

    We apply Differential Scanning Calorimetry, DSC, to measure the kinetics of the {beta} {yields} {delta} solid-solid phase transition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocinet HMX. Integration of the DSC signal gives a direct measurement of degree of conversion. We apply 1st order kinetics, the Ozawa method, and isoconversional analysis to show that the phase transition is not a simple one-step reaction, but instead is a complex combination of steps. The range of activation energies found in this work, centering around 500 kJ/mol, is higher than previously reported values. We discuss possible reasons for the higher activation energies measured here.

  3. High Frequency Laser-Based Ultrasound

    SciTech Connect

    Huber, R; Chinn, D; Balogun, O; Murray, T

    2005-09-12

    To obtain micrometer resolution of materials using acoustics requires frequencies around 1 GHz. Attenuation of such frequencies is high, limiting the thickness of the parts that can be characterized. Although acoustic microscopes can operate up to several GHz in frequency, they are used primarily as a surface characterization tool. The use of a pulsed laser for acoustic generation allows generation directly in the part, eliminating the loss of energy associated with coupling the energy from a piezoelectric transducer to the part of interest. The use of pulsed laser acoustic generation in combination with optical detection is investigated for the non-contact characterization of materials with features that must be characterized to micrometer resolution.

  4. Limits of simulation based high resolution EBSD.

    PubMed

    Alkorta, Jon

    2013-08-01

    High resolution electron backscattered diffraction (HREBSD) is a novel technique for a relative determination of both orientation and stress state in crystals through digital image correlation techniques. Recent works have tried to use simulated EBSD patterns as reference patterns to achieve the absolute orientation and stress state of crystals. However, a precise calibration of the pattern centre location is needed to avoid the occurrence of phantom stresses. A careful analysis of the projective transformation involved in the formation of EBSD patterns has permitted to understand these phantom stresses. This geometrical analysis has been confirmed by numerical simulations. The results indicate that certain combinations of crystal strain states and sample locations (pattern centre locations) lead to virtually identical EBSD patterns. This ambiguity makes the problem of solving the absolute stress state of a crystal unfeasible in a single-detector configuration. PMID:23676453

  5. A high throughput droplet based electroporation system

    NASA Astrophysics Data System (ADS)

    Yoo, Byeongsun; Ahn, Myungmo; Im, Dojin; Kang, Inseok

    2014-11-01

    Delivery of exogenous genetic materials across the cell membrane is a powerful and popular research tool for bioengineering. Among conventional non-viral DNA delivery methods, electroporation (EP) is one of the most widely used technologies and is a standard lab procedure in molecular biology. We developed a novel digital microfluidic electroporation system which has higher efficiency of transgene expression and better cell viability than that of conventional EP techniques. We present the successful performance of digital EP system for transformation of various cell lines by investigating effects of the EP conditions such as electric pulse voltage, number, and duration on the cell viability and transfection efficiency in comparison with a conventional bulk EP system. Through the numerical analysis, we have also calculated the electric field distribution around the cells precisely to verify the effect of the electric field on the high efficiency of the digital EP system. Furthermore, the parallelization of the EP processes has been developed to increase the transformation productivity. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (Grant Number: 2013R1A1A2011956).

  6. A thermodynamically based definition of fast verses slow heating in secondary explosives

    NASA Astrophysics Data System (ADS)

    Henson, Bryan; Smilowitz, Laura

    2013-06-01

    The thermal response of energetic materials is often categorized according to the rate of heating as either fast or slow, e.g. slow cook-off. Such categorizations have most often followed some operational rationale, without a material based definition. We have spent several years demonstrating that for the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) a single mechanism of thermal response reproduces times to ignition independent of rate or means of heating over the entire range of thermal response. HMX is unique in that bulk melting is rarely observed in either thermal ignition or combustion. We have recently discovered a means of expressing this mechanism for HMX in a reduced form applicable to many secondary explosives. We will show that with this mechanism a natural definition of fast versus slow rates of heating emerges, related to the rate of melting, and we use this to illustrate why HMX does not exhibit melting, and why a number of other secondary explosives do, and require the two separate categories.

  7. Characteristics Data Base: Programmer's guide to the High-Level Waste Data Base

    SciTech Connect

    Jones, K.E. ); Salmon, R. )

    1990-08-01

    The High-Level Waste Data Base is a menu-driven PC data base developed as part of OCRWM's technical data base on the characteristics of potential repository wastes, which also includes spent fuel and other materials. This programmer's guide completes the documentation for the High-Level Waste Data Base, the user's guide having been published previously. 3 figs.

  8. High School and College Partnerships: Credit-Based Transition Programs

    ERIC Educational Resources Information Center

    Fowler, Michael; Luna, Gaye

    2009-01-01

    This article reviews history, models, and benefits of credit-based transition programs between high schools and institutions of higher education. The goal of these programs is to enable high school students to take college courses and earn college credit while still in high school, thereby easing the transition to college through a variety of…

  9. 26. "AIR INSTALLATIONS; EDWARDS AIR FORCE BASE, CALIFORNIA; HIGH SPEED ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    26. "AIR INSTALLATIONS; EDWARDS AIR FORCE BASE, CALIFORNIA; HIGH SPEED TEST TRACK." Drawing No. 10-259. One inch to 400 feet plan of original 10,000-foot sled track. No date. No D.O. series number. No headings as above. - Edwards Air Force Base, South Base Sled Track, Edwards Air Force Base, North of Avenue B, between 100th & 140th Streets East, Lancaster, Los Angeles County, CA

  10. High-Tc/high-coupling relaxed PZT-based single crystal thin films

    NASA Astrophysics Data System (ADS)

    Wasa, K.; Matsushima, T.; Adachi, H.; Matsunaga, T.; Yanagitani, T.; Yamamoto, T.

    2015-03-01

    Pb(Zr,Ti)O3 (PZT)-based ferroelectric ceramics exhibit high piezoelectricity, however, their Curie temperature (Tc) values are not so high, i.e., Tc < 400 °C. PZT-based piezoelectric thin films with higher Tc would be beneficial for improved micro actuators, sensors, memories, and piezoelectric micro-electro mechanical systems. In-plane biaxial strained PZT thin films in a laminated composite structure are known to exhibit enhanced Tc; however, the thickness of PZT-based thin films is limited to below a critical thickness typically <50 nm. The Tc of relaxed PZT-based thin films with thicknesses greater than the critical thickness is the same as bulk Tc. However, a sort of relaxed PZT-based single-crystal thin films exhibit extraordinary high Tc, Tc = ˜600 °C. In addition, the films show extremely low dielectric constant, ɛ/ɛo ˜ 100 with high coupling factor, kt ˜ 0.7, and large remnant polarization, Pr ˜ 100 μC/cm2. These exotic properties would result from the single-domain/single-crystal structure. The enhanced Tc is possibly caused by the highly stable interface between the PZT-based thin films and substrates. Their ferroelectric performances are beyond those of conventional PZT. The high-Tc/high-coupling performances are demonstrated, and the possible mechanisms of the high Tc behavior in relaxed PZT-based single-crystal thin films are discussed.

  11. High activity iodine 125 endocurietherapy for recurrent skull base tumors

    SciTech Connect

    Kumar, P.P.; Good, R.R.; Leibrock, L.G.; Mawk, J.R.; Yonkers, A.J.; Ogren, F.P.

    1988-04-15

    Experience with endocurietherapy of skull base tumors is reviewed. We present our cases of recurrent pituitary hemangiopericytoma, radiation-induced recurrent meningioma, recurrent clival chordoma, recurrent nasopharyngeal cancer involving the cavernous sinus, and recurrent parotid carcinoma of the skull base which were all successfully retreated with high-activity 125-iodine (I-125) permanent implantation.76 references.

  12. High School Students' Concepts of Acids and Bases.

    ERIC Educational Resources Information Center

    Ross, Bertram H. B.

    An investigation of Ontario high school students' understanding of acids and bases with quantitative and qualitative methods revealed misconceptions. A concept map, based on the objectives of the Chemistry Curriculum Guideline, generated multiple-choice items and interview questions. The multiple-choice test was administered to 34 grade 12…

  13. Competency-Based Adult High School Curriculum Project.

    ERIC Educational Resources Information Center

    Singer, Elizabeth

    This compilation of program materials serves as an introduction to and overview of Florida's Brevard Community College's (BCC's) Competency-Based Adult High School Completion Project, which was conducted to teach administrators, counselors, and teachers how to organize and implement a competency-based adult education (CBAE) program; to critique…

  14. Hershey Montessori Farm School: Place-Based High School Biology.

    ERIC Educational Resources Information Center

    Venaleck, Judy; McDonald, Pete

    2001-01-01

    Describes how the Hershey Montessori Farm School in Huntsburg, Ohio, developed an advanced biology course, which begins with an experience-based, task-oriented approach within different biomes of the surrounding environs while incorporating high school content and scientific method. Concludes that integrating place-based and contextual inquiries…

  15. Effects of Problem Based Economics on High School Economics Instruction

    ERIC Educational Resources Information Center

    Finkelstein, Neal; Hanson, Thomas

    2011-01-01

    The primary purpose of this study is to assess student-level impacts of a problem-based instructional approach to high school economics. The curriculum approach examined here was designed to increase class participation and content knowledge for high school students who are learning economics. This study tests the effectiveness of Problem Based…

  16. Research On Bi-Based High-Temperature Superconductors

    NASA Technical Reports Server (NTRS)

    Banks, Curtis; Doane, George B., III; Golben, John

    1993-01-01

    Brief report describes effects of melt sintering on Bi-based high-temperature superconductor system, as well as use of vibrating-sample magnetometer to determine hysteresis curves at 77 K for partially melt-sintered samples. Also discussed is production of high-temperature superconducting thin films by laser ablation: such films potentially useful in detection of signals of very low power.

  17. Advances in surface plasmon resonance-based high throughput biochips

    NASA Astrophysics Data System (ADS)

    Zhang, San-Jun; Berguiga, Lotfi; Elezgaray, Juan; Hugo, Nicolas; Li, Wen-Xue; Roland, Thibault; Zeng, He-Ping; Argoul, Francoise

    2009-12-01

    This article reviews our recent advances in surface plasmon resonance (SPR) based biochips. It includes four issues, which are the preparation and characterization of high quality gold film, the preparation and characterization of self-assembled monolayer (SAM), dynamics of DNA adsorption on SAMs, and SPR-based microscopies. Numerous topics related to SPR, such as, the modeling of SPR by transmission matrix, effective medium theory, applications of SPR in biology, and SPR-based novel microscopies, are discussed. A novel electrochemical technique, which is extremely useful for the preparation and characterization of high quality SAMs, is also discussed.

  18. Molecular design and property prediction of high density polynitro[3.3.3]-propellane-derivatized frameworks as potential high explosives.

    PubMed

    Zhang, Qinghua; Zhang, Jiaheng; Qi, Xiujuan; Shreeve, Jean'ne M

    2014-11-13

    Research in energetic materials is now heavily focused on the design and synthesis of novel insensitive high explosives (IHEs) for specialized applications. As an effective and time-saving tool for screening potential explosive structures, computer simulation has been widely used for the prediction of detonation properties of energetic molecules with relatively high precision. In this work, a series of new polynitrotetraoxopentaaza[3.3.3]-propellane molecules with tricyclic structures were designed. Their properties as potential high explosives including density, heats of formation, detonation properties, impact sensitivity, etc., have been extensively evaluated using volume-based thermodynamic calculations and density functional theory (DFT).These new energetic molecules exhibit high densities of >1.82 g cm(-3), in which 1 gives the highest density of 2.04 g cm(-3). Moreover, most new materials show good detonation properties and acceptable impact sensitivities, in which 5 displays much higher detonation velocity (9482 m s(-1)) and pressure (43.9 GPa) than HMX and has a h50 value of 11 cm. These results are expected to facilitate the experimental synthesis of new-generation nitramine-based high explosives.

  19. PETN, RDX, HMX, TATB: band gap dependence on pressure under hydrostatic compression from DFT with GW and vdW corrections

    NASA Astrophysics Data System (ADS)

    Mukhanov, Andrei; Yanilkin, Alexei

    2014-03-01

    In the middle of 1990s Gilman (Gilman J. J. 1995 Phil. Mag. B, 71:6, 1057) proposed the idea that explosives transit from insulator to conductor state with following adiabatic expansion of free electrons in shockwave. One of the reasons of such a behavior of electrons is narrowing or disappearing of the fundamental band gap in explosive single crystal. It is well known that similar behavior can be simulated by DFT. But there is a severe problem of lowering the value of gap by DFT. So for quantitative prediction of narrowing of gap under pressure it is necessary to use more complicated methods like GW. From first principle calculations we determined elastic moduli for ideal crystals of PETN, RDX, HMX, and TATB. Accounting for those moduli we simulated the 0 K isotherms for hydrostatic compression of single crystal. Due to the essential role of van der Waals interaction in such materials the vdW corrections to DFT in Grimme's form was used. We obtained the dependencies for band gap on pressure under hydrostatic compression. Our preliminary results on GW calculations show that for TATB at initial uncompressed volume we have the value of gap twice a bigger in GW than in DFT.

  20. Influence of Small Change of Porosity on Shock Initiation of an HMX/TATB/Viton Explosive and Ignition and Growth Modeling

    NASA Astrophysics Data System (ADS)

    Liu, Yan; Hussain, Tariq; Huang, Fenglei; Duan, Zhuoping

    2016-07-01

    All solid explosives in practical use are more or less porous. Although it is known that the change in porosity affects the shock sensitivity of solid explosives, the effect of small changes in porosity on the sensitivity needs to be determined for safe and efficient use of explosive materials. In this study, the influence of a small change in porosity on shock initiation and the subsequent detonation growth process of a plastic-bonded explosive PBXC03, composed of 87% cyclotetramethylene-tetranitramine (HMX), 7% triaminotrinitrobenzene (TATB), and 6% Viton by weight, are investigated by shock to detonation transition experiments. Two explosive formulations of PBXC03 having the same initial grain sizes pressed to 98 and 99% of theoretical mass density (1.873 g/cm3) respectively are tested using the in situ manganin piezoresistive pressure gauge technique. Numerical modeling of the experiments is performed using an ignition and growth reactive flow model. Reasonable agreement with the experimental results is obtained by increasing the growth term coefficient in the Lee-Tarver ignition and growth model with porosity. Combining the experimental and simulation results shows that the shock sensitivity increases with porosity for PBXC03 having the same explosive initial grain sizes for the pressures (about 3.1 GPa) applied in the experiments.

  1. Highly charged ion based time of flight emission microscope

    DOEpatents

    Barnes, Alan V.; Schenkel, Thomas; Hamza, Alex V.; Schneider, Dieter H.; Doyle, Barney

    2001-01-01

    A highly charged ion based time-of-flight emission microscope has been designed, which improves the surface sensitivity of static SIMS measurements because of the higher ionization probability of highly charged ions. Slow, highly charged ions are produced in an electron beam ion trap and are directed to the sample surface. The sputtered secondary ions and electrons pass through a specially designed objective lens to a microchannel plate detector. This new instrument permits high surface sensitivity (10.sup.10 atoms/cm.sup.2), high spatial resolution (100 nm), and chemical structural information due to the high molecular ion yields. The high secondary ion yield permits coincidence counting, which can be used to enhance determination of chemical and topological structure and to correlate specific molecular species.

  2. High Efficient Synthesis of Iron-based Superconductors

    NASA Astrophysics Data System (ADS)

    Fang, Ai-Hua; Huang, Fu-Qiang; Xie, Xiao-Ming; Jiang, Mian-Heng

    We have performed systematic investigations aimed at high efficient synthesis of the 1111 family iron-based superconductors. By using meta-stable reactive starting materials of LnAs and FeO, assisted by mechanical alloying and fast heating, high purity samples with Tconset greater than 50K can be made with sintering temperatures between 1433K-1073K, and sintering time from 20 min to 40 h. High purity phase with sintering temperature as low as 973K was demonstrated successfully although Tconset fall below 50K and weak grain boundary suppressed greatly the zero resistance temperature. Ultra fast microwave sintering brings the sintering time further down to 5 min. Samples prepared by the above high efficient methods typically posses submicron grain and very high upper critical field, indicating very high pinning power. Besides offering cost advantages, the developed methods may play important roles in the exploit of novel superconductors.

  3. Sapphire-fiber-based distributed high-temperature sensing system.

    PubMed

    Liu, Bo; Yu, Zhihao; Hill, Cary; Cheng, Yujie; Homa, Daniel; Pickrell, Gary; Wang, Anbo

    2016-09-15

    We present, for the first time to our knowledge, a sapphire-fiber-based distributed high-temperature sensing system based on a Raman distributed sensing technique. High peak power laser pulses at 532 nm were coupled into the sapphire fiber to generate the Raman signal. The returned Raman Stokes and anti-Stokes signals were measured in the time domain to determine the temperature distribution along the fiber. The sensor was demonstrated from room temperature up to 1200°C in which the average standard deviation is about 3.7°C and a spatial resolution of about 14 cm was achieved. PMID:27628409

  4. Visible light metasurfaces based on gallium nitride high contrast gratings

    NASA Astrophysics Data System (ADS)

    Wang, Zhenhai; He, Shumin; Liu, Qifa; Wang, Wei

    2016-05-01

    We propose visible-light metasurfaces (VLMs) capable of serving as lens and beam deflecting element based on gallium nitride (GaN) high contrast gratings (HCGs). By precisely manipulating the wavefront of the transmitted light, we theoretically demonstrate an HCG focusing lens with transmissivity of 86.3%, and a VLM with beam deflection angle of 6.09° and transmissivity as high as 91.4%. The proposed all-dielectric metasurfaces are promising for GaN-based visible light-emitting diodes (LEDs), which would be robust and versatile for controlling the output light propagation and polarization, as well as enhancing the extraction efficiency of the LEDs.

  5. Highly ytterbium-doped bismuth-oxide-based fiber.

    PubMed

    Ohara, Seiki; Kuroiwa, Yutaka

    2009-08-01

    Thermally stable highly ytterbium-doped bismuth-oxide-based glasses have been investigated. The absorbance increased linearly with Yb(2)O(3) concentration, reaching 7800 dB/m with 3 mol-% of Yb(2)O(3). An ytterbium-doped bismuth-oxide-based fiber has also been fabricated with a fiber loss of 0.24 dB/m. A fiber laser is also demonstrated, and it shows a slope efficiency of 36%.

  6. High-speed silicon modulator based on cascaded microring resonators.

    PubMed

    Hu, Yingtao; Xiao, Xi; Xu, Hao; Li, Xianyao; Xiong, Kang; Li, Zhiyong; Chu, Tao; Yu, Yude; Yu, Jinzhong

    2012-07-01

    A high-speed silicon modulator based on cascaded double microring resonators is demonstrated in this paper. The proposed modulator experimentally achieved 40 Gbit/s modulation with an extinction ratio of 3.9 dB. Enhancement of the modulator achieves with an ultra-high optical bandwidth of 0.41 nm, corresponding to 51 GHz, was accomplished by using cascaded double ring structure. The described modulator can provides an ultra-high-speed optical modulation with a further improvement in electrical bandwidth of the device. PMID:22772204

  7. High efficiency tantalum-based ceramic composite structures

    NASA Technical Reports Server (NTRS)

    Stewart, David A. (Inventor); Leiser, Daniel B. (Inventor); DiFiore, Robert R. (Inventor); Katvala, Victor W. (Inventor)

    2010-01-01

    Tantalum-based ceramics are suitable for use in thermal protection systems. These composite structures have high efficiency surfaces (low catalytic efficiency and high emittance), thereby reducing heat flux to a spacecraft during planetary re-entry. These ceramics contain tantalum disilicide, molybdenum disilicide and borosilicate glass. The components are milled, along with a processing aid, then applied to a surface of a porous substrate, such as a fibrous silica or carbon substrate. Following application, the coating is then sintered on the substrate. The composite structure is substantially impervious to hot gas penetration and capable of surviving high heat fluxes at temperatures approaching 3000.degree. F. and above.

  8. High power density reactors based on direct cooled particle beds

    NASA Astrophysics Data System (ADS)

    Powell, J. R.; Horn, F. L.

    Reactors based on direct cooled High Temperature Gas Cooled Reactor (HTGR) type particle fuel are described. The small diameter particle fuel is packed between concentric porous cylinders to make annular fuel elements, with the inlet coolant gas flowing inwards. Hot exit gas flows out along the central channel of each element. Because of the very large heat transfer area in the packed beds, power densities in particle bed reactors (PBRs) are extremely high resulting in compact, lightweight systems. Coolant exit temperatures are high, because of the ceramic fuel temperature capabilities, and the reactors can be ramped to full power and temperature very rapidly. PBR systems can generate very high burst power levels using open cycle hydrogen coolant, or high continuous powers using closed cycle helium coolant. PBR technology is described and development requirements assessed.

  9. Parallel Microcracks-based Ultrasensitive and Highly Stretchable Strain Sensors.

    PubMed

    Amjadi, Morteza; Turan, Mehmet; Clementson, Cameron P; Sitti, Metin

    2016-03-01

    There is an increasing demand for flexible, skin-attachable, and wearable strain sensors due to their various potential applications. However, achieving strain sensors with both high sensitivity and high stretchability is still a grand challenge. Here, we propose highly sensitive and stretchable strain sensors based on the reversible microcrack formation in composite thin films. Controllable parallel microcracks are generated in graphite thin films coated on elastomer films. Sensors made of graphite thin films with short microcracks possess high gauge factors (maximum value of 522.6) and stretchability (ε ≥ 50%), whereas sensors with long microcracks show ultrahigh sensitivity (maximum value of 11,344) with limited stretchability (ε ≤ 50%). We demonstrate the high performance strain sensing of our sensors in both small and large strain sensing applications such as human physiological activity recognition, human body large motion capturing, vibration detection, pressure sensing, and soft robotics.

  10. Parallel Microcracks-based Ultrasensitive and Highly Stretchable Strain Sensors.

    PubMed

    Amjadi, Morteza; Turan, Mehmet; Clementson, Cameron P; Sitti, Metin

    2016-03-01

    There is an increasing demand for flexible, skin-attachable, and wearable strain sensors due to their various potential applications. However, achieving strain sensors with both high sensitivity and high stretchability is still a grand challenge. Here, we propose highly sensitive and stretchable strain sensors based on the reversible microcrack formation in composite thin films. Controllable parallel microcracks are generated in graphite thin films coated on elastomer films. Sensors made of graphite thin films with short microcracks possess high gauge factors (maximum value of 522.6) and stretchability (ε ≥ 50%), whereas sensors with long microcracks show ultrahigh sensitivity (maximum value of 11,344) with limited stretchability (ε ≤ 50%). We demonstrate the high performance strain sensing of our sensors in both small and large strain sensing applications such as human physiological activity recognition, human body large motion capturing, vibration detection, pressure sensing, and soft robotics. PMID:26842553

  11. High Density Polymer-Based Integrated Electgrode Array

    DOEpatents

    Maghribi, Mariam N.; Krulevitch, Peter A.; Davidson, James Courtney; Hamilton, Julie K.

    2006-04-25

    A high density polymer-based integrated electrode apparatus that comprises a central electrode body and a multiplicity of arms extending from the electrode body. The central electrode body and the multiplicity of arms are comprised of a silicone material with metal features in said silicone material that comprise electronic circuits.

  12. Curriculum-Based Measures of Writing for High School Students

    ERIC Educational Resources Information Center

    Diercks-Gransee, Barbara; Weissenburger, Jacalyn Wright; Johnson, Cindy L.; Christensen, Paul

    2009-01-01

    The purpose of this study was to determine whether technically adequate curriculum-based measures of writing could be identified for use with high school students. The participants included 10th-grade general and special education students from two public school districts in Wisconsin. Students (n = 82) completed two narrative writing samples in…

  13. Mental Health Care in a High School Based Health Service.

    ERIC Educational Resources Information Center

    Jepson, Lisa; Juszczak, Linda; Fisher, Martin

    1998-01-01

    Describes the mental-health and medical services provided at a high-school-based service center. Five years after the center's inception mental health visits had quadrupled. One third of students utilizing the center reported substance abuse within their family. Other reasons for center use included pregnancy, suicidal ideation, obesity,…

  14. Planning and Implementing a High Performance Knowledge Base.

    ERIC Educational Resources Information Center

    Cortez, Edwin M.

    1999-01-01

    Discusses the conceptual framework for developing a rapid-prototype high-performance knowledge base for the four mission agencies of the United States Department of Agriculture and their university partners. Describes the background of the project and methods used for establishing the requirements; examines issues and problems surrounding semantic…

  15. High School Art Education Guide. Competency-Based Education.

    ERIC Educational Resources Information Center

    Frederick County Public Schools, MD.

    Arranged into 26 sections, this curriculum guide provides high school teachers with a competency based approach to teaching art education. Following a statement of appreciation, the philosophy and goals for art education in Maryland are presented. An excerpt from Edmund Feldman's "Varieties of Visual Experience" discusses aesthetic expression.…

  16. High resolution data base for use with MAP

    SciTech Connect

    Tapley, W.C.; Harris, D.B.

    1987-05-05

    A high resolution cartographic data base of thw World is available from the CIA. We obtained this data, extracted portions of the data, and produced cartographic files of varying resolutions. The resulting data files are of the proper format for use with MAP (2), our in-house cartographic plotting program.

  17. Citizenship. Nevada Competency-Based Adult High School Diploma Project.

    ERIC Educational Resources Information Center

    Nevada Univ., Las Vegas. Coll. of Education.

    This document is one of ten curriculum guides developed by the Nevada Competency-Based Adult High School Diploma (CBAHSD) Project. This curriculum guide on citizenship is divided into twelve topics. The topics included are How to Become a Citizen, Voter Registration, Political Parties, Nominations, Elections, Evaluating Issues, Public Opinion,…

  18. High resolution, MRI-based, segmented, computerized head phantom

    SciTech Connect

    Zubal, I.G.; Harrell, C.R.; Smith, E.O.; Smith, A.L.; Krischlunas, P.

    1999-01-01

    The authors have created a high-resolution software phantom of the human brain which is applicable to voxel-based radiation transport calculations yielding nuclear medicine simulated images and/or internal dose estimates. A software head phantom was created from 124 transverse MRI images of a healthy normal individual. The transverse T2 slices, recorded in a 256x256 matrix from a GE Signa 2 scanner, have isotropic voxel dimensions of 1.5 mm and were manually segmented by the clinical staff. Each voxel of the phantom contains one of 62 index numbers designating anatomical, neurological, and taxonomical structures. The result is stored as a 256x256x128 byte array. Internal volumes compare favorably to those described in the ICRP Reference Man. The computerized array represents a high resolution model of a typical human brain and serves as a voxel-based anthropomorphic head phantom suitable for computer-based modeling and simulation calculations. It offers an improved realism over previous mathematically described software brain phantoms, and creates a reference standard for comparing results of newly emerging voxel-based computations. Such voxel-based computations lead the way to developing diagnostic and dosimetry calculations which can utilize patient-specific diagnostic images. However, such individualized approaches lack fast, automatic segmentation schemes for routine use; therefore, the high resolution, typical head geometry gives the most realistic patient model currently available.

  19. Carbon nanotube transistor based high-frequency electronics

    NASA Astrophysics Data System (ADS)

    Schroter, Michael

    At the nanoscale carbon nanotubes (CNTs) have higher carrier mobility and carrier velocity than most incumbent semiconductors. Thus CNT based field-effect transistors (FETs) are being considered as strong candidates for replacing existing MOSFETs in digital applications. In addition, the predicted high intrinsic transit frequency and the more recent finding of ways to achieve highly linear transfer characteristics have inspired investigations on analog high-frequency (HF) applications. High linearity is extremely valuable for an energy efficient usage of the frequency spectrum, particularly in mobile communications. Compared to digital applications, the much more relaxed constraints for CNT placement and lithography combined with already achieved operating frequencies of at least 10 GHz for fabricated devices make an early entry in the low GHz HF market more feasible than in large-scale digital circuits. Such a market entry would be extremely beneficial for funding the development of production CNTFET based process technology. This talk will provide an overview on the present status and feasibility of HF CNTFET technology will be given from an engineering point of view, including device modeling, experimental results, and existing roadblocks. Carbon nanotube transistor based high-frequency electronics.

  20. High performance network and channel-based storage

    NASA Technical Reports Server (NTRS)

    Katz, Randy H.

    1991-01-01

    In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called input/output (I/O) channels. With the dramatic shift towards workstation-based computing, and its associated client/server model of computation, storage facilities are now found attached to file servers and distributed throughout the network. We discuss the underlying technology trends that are leading to high performance network-based storage, namely advances in networks, storage devices, and I/O controller and server architectures. We review several commercial systems and research prototypes that are leading to a new approach to high performance computing based on network-attached storage.

  1. Alternative Processing of High Temperature Hafnium and Zirconium Based Materials

    NASA Technical Reports Server (NTRS)

    Gasch, Matthew; Gusman, Michael; Ellerby, Don; Irby, Edward; Johnson, Sylvia M.

    2003-01-01

    The behavior of refractory hafnium and zirconium based materials are being investigated at NASA Ames as part of ongoing research aimed at developing superior heat resistant materials for aerospace applications. Hafnium and zirconium diboride based materials have shown high temperature capabilities in simulated reentry environments indicating that these materials may successfully operate as reusable oxidation resistant components for leading edge applications. Due to the refractory nature of these materials, processing of fine-grained uniform microstructures poses a number of challenges. To better understand the process-property-microstructure relationship, processing of these materials has been carried out with conventional hot pressing in addition to the novel approach of Spark Plasma Sintering (SPS). The two processing methods are compared and contrasted in an evaluation of the sintering behavior of high temperature diboride based materials and preliminary physical and mechanical properties are presented.

  2. Neural network based feed-forward high density associative memory

    NASA Technical Reports Server (NTRS)

    Daud, T.; Moopenn, A.; Lamb, J. L.; Ramesham, R.; Thakoor, A. P.

    1987-01-01

    A novel thin film approach to neural-network-based high-density associative memory is described. The information is stored locally in a memory matrix of passive, nonvolatile, binary connection elements with a potential to achieve a storage density of 10 to the 9th bits/sq cm. Microswitches based on memory switching in thin film hydrogenated amorphous silicon, and alternatively in manganese oxide, have been used as programmable read-only memory elements. Low-energy switching has been ascertained in both these materials. Fabrication and testing of memory matrix is described. High-speed associative recall approaching 10 to the 7th bits/sec and high storage capacity in such a connection matrix memory system is also described.

  3. Precise determination of nonlinear function of ion mobility for explosives and drugs at high electric fields for microchip FAIMS.

    PubMed

    Guo, Dapeng; Wang, Yonghuan; Li, Lingfeng; Wang, Xiaozhi; Luo, Jikui

    2015-01-01

    High-field asymmetric waveform ion mobility spectrometry (FAIMS) separates ions by utilizing the characteristics of nonlinear ion mobility at high and low electric fields. Accurate ion discrimination depends on the precise solution of nonlinear relationships and is essential for accurate identification of ion species for applications. So far, all the nonlinear relationships of ion mobility obtained are based at low electric fields (E/N <65 Td). Microchip FAIMS (μ-FAIMS) with small dimensions has high electric field up to E/N = 250 Td, making the approximation methods and conclusions for nonlinear relationships inappropriate for these systems. In this paper, we deduced nonlinear functions based on the first principle and a general model. Furthermore we considered the hydrodynamics of gas flow through microchannels. We then calculated the specific alpha coefficients for cocaine, morphine, HMX, TNT and RDX, respectively, based on their FAIMS spectra measured by μ-FAIMS system at ultra-high fields up to 250 Td. The results show that there is no difference in nonlinear alpha functions obtained by the approximation and new method at low field (<120 Td), but the error induced by using approximation method increases monotonically with the increase in field, and could be as much as 30% at a field of 250 Td.

  4. A high-rate PCI-based telemetry processor system

    NASA Astrophysics Data System (ADS)

    Turri, R.

    2002-07-01

    The high performances reached by the Satellite on-board telemetry generation and transmission, as consequently, will impose the design of ground facilities with higher processing capabilities at low cost to allow a good diffusion of these ground station. The equipment normally used are based on complex, proprietary bus and computing architectures that prevent the systems from exploiting the continuous and rapid increasing in computing power available on market. The PCI bus systems now allow processing of high-rate data streams in a standard PC-system. At the same time the Windows NT operating system supports multitasking and symmetric multiprocessing, giving the capability to process high data rate signals. In addition, high-speed networking, 64 bit PCI-bus technologies and the increase in processor power and software, allow creating a system based on COTS products (which in future may be easily and inexpensively upgraded). In the frame of EUCLID RTP 9.8 project, a specific work element was dedicated to develop the architecture of a system able to acquire telemetry data of up to 600 Mbps. Laben S.p.A - a Finmeccanica Company -, entrusted of this work, has designed a PCI-based telemetry system making possible the communication between a satellite down-link and a wide area network at the required rate.

  5. GPU-based high-performance computing for radiation therapy.

    PubMed

    Jia, Xun; Ziegenhein, Peter; Jiang, Steve B

    2014-02-21

    Recent developments in radiotherapy therapy demand high computation powers to solve challenging problems in a timely fashion in a clinical environment. The graphics processing unit (GPU), as an emerging high-performance computing platform, has been introduced to radiotherapy. It is particularly attractive due to its high computational power, small size, and low cost for facility deployment and maintenance. Over the past few years, GPU-based high-performance computing in radiotherapy has experienced rapid developments. A tremendous amount of study has been conducted, in which large acceleration factors compared with the conventional CPU platform have been observed. In this paper, we will first give a brief introduction to the GPU hardware structure and programming model. We will then review the current applications of GPU in major imaging-related and therapy-related problems encountered in radiotherapy. A comparison of GPU with other platforms will also be presented.

  6. GPU-based High-Performance Computing for Radiation Therapy

    PubMed Central

    Jia, Xun; Ziegenhein, Peter; Jiang, Steve B.

    2014-01-01

    Recent developments in radiotherapy therapy demand high computation powers to solve challenging problems in a timely fashion in a clinical environment. Graphics processing unit (GPU), as an emerging high-performance computing platform, has been introduced to radiotherapy. It is particularly attractive due to its high computational power, small size, and low cost for facility deployment and maintenance. Over the past a few years, GPU-based high-performance computing in radiotherapy has experienced rapid developments. A tremendous amount of studies have been conducted, in which large acceleration factors compared with the conventional CPU platform have been observed. In this article, we will first give a brief introduction to the GPU hardware structure and programming model. We will then review the current applications of GPU in major imaging-related and therapy-related problems encountered in radiotherapy. A comparison of GPU with other platforms will also be presented. PMID:24486639

  7. Multichannel emission spectrometer for high dynamic range optical pyrometry of shock-driven materials

    NASA Astrophysics Data System (ADS)

    Bassett, Will P.; Dlott, Dana D.

    2016-10-01

    An emission spectrometer (450-850 nm) using a high-throughput, high numerical aperture (N.A. = 0.3) prism spectrograph with stepped fiberoptic coupling, 32 fast photomultipliers and thirty-two 1.25 GHz digitizers is described. The spectrometer can capture single-shot events with a high dynamic range in amplitude and time (nanoseconds to milliseconds or longer). Methods to calibrate the spectrometer and verify its performance and accuracy are described. When a reference thermal source is used for calibration, the spectrometer can function as a fast optical pyrometer. Applications of the spectrometer are illustrated by using it to capture single-shot emission transients from energetic materials or reactive materials initiated by kmṡs-1 impacts with laser-driven flyer plates. A log (time) data analysis method is used to visualize multiple kinetic processes resulting from impact initiation of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) or a Zr/CuO nanolaminate thermite. Using a gray body algorithm to interpret the spectral radiance from shocked HMX, a time history of temperature and emissivity was obtained, which could be used to investigate HMX hot spot dynamics. Finally, two examples are presented showing how the spectrometer can avoid temperature determination errors in systems where thermal emission is accompanied by atomic or molecular emission lines.

  8. Vanadium based materials as electrode materials for high performance supercapacitors

    NASA Astrophysics Data System (ADS)

    Yan, Yan; Li, Bing; Guo, Wei; Pang, Huan; Xue, Huaiguo

    2016-10-01

    As a kind of supercapacitors, pseudocapacitors have attracted wide attention in recent years. The capacitance of the electrochemical capacitors based on pseudocapacitance arises mainly from redox reactions between electrolytes and active materials. These materials usually have several oxidation states for oxidation and reduction. Many research teams have focused on the development of an alternative material for electrochemical capacitors. Many transition metal oxides have been shown to be suitable as electrode materials of electrochemical capacitors. Among them, vanadium based materials are being developed for this purpose. Vanadium based materials are known as one of the best active materials for high power/energy density electrochemical capacitors due to its outstanding specific capacitance and long cycle life, high conductivity and good electrochemical reversibility. There are different kinds of synthetic methods such as sol-gel hydrothermal/solvothermal method, template method, electrospinning method, atomic layer deposition, and electrodeposition method that have been successfully applied to prepare vanadium based electrode materials. In our review, we give an overall summary and evaluation of the recent progress in the research of vanadium based materials for electrochemical capacitors that include synthesis methods, the electrochemical performances of the electrode materials and the devices.

  9. High Speed Capacitor-Inverter Based Carbon Nanotube Full Adder

    PubMed Central

    2010-01-01

    Carbon Nanotube filed-effect transistor (CNFET) is one of the promising alternatives to the MOS transistors. The geometry-dependent threshold voltage is one of the CNFET characteristics, which is used in the proposed Full Adder cell. In this paper, we present a high speed Full Adder cell using CNFETs based on majority-not (Minority) function. Presented design uses eight transistors and eight capacitors. Simulation results show significant improvement in terms of delay and power-delay product in comparison to contemporary CNFET Adder Cells. Simulations were carried out using HSPICE based on CNFET model with 0.6 V VDD. PMID:20671796

  10. High speed capacitor-inverter based carbon nanotube full adder.

    PubMed

    Navi, K; Rashtian, M; Khatir, A; Keshavarzian, P; Hashemipour, O

    2010-01-01

    Carbon Nanotube filed-effect transistor (CNFET) is one of the promising alternatives to the MOS transistors. The geometry-dependent threshold voltage is one of the CNFET characteristics, which is used in the proposed Full Adder cell. In this paper, we present a high speed Full Adder cell using CNFETs based on majority-not (Minority) function. Presented design uses eight transistors and eight capacitors. Simulation results show significant improvement in terms of delay and power-delay product in comparison to contemporary CNFET Adder Cells. Simulations were carried out using HSPICE based on CNFET model with 0.6 V VDD. PMID:20671796

  11. Cu-Al-Ni-SMA-Based High-Damping Composites

    NASA Astrophysics Data System (ADS)

    López, Gabriel A.; Barrado, Mariano; San Juan, Jose; Nó, María Luisa

    2009-08-01

    Recently, absorption of vibration energy by mechanical damping has attracted much attention in several fields such as vibration reduction in aircraft and automotive industries, nanoscale vibration isolations in high-precision electronics, building protection in civil engineering, etc. Typically, the most used high-damping materials are based on polymers due to their viscoelastic behavior. However, polymeric materials usually show a low elastic modulus and are not stable at relatively low temperatures (≈323 K). Therefore, alternative materials for damping applications are needed. In particular, shape memory alloys (SMAs), which intrinsically present high-damping capacity thanks to the dissipative hysteretic movement of interfaces under external stresses, are very good candidates for high-damping applications. A completely new approach was applied to produce high-damping composites with relatively high stiffness. Cu-Al-Ni shape memory alloy powders were embedded with metallic matrices of pure In, a In-10wt.%Sn alloy and In-Sn eutectic alloy. The production methodology is described. The composite microstructures and damping properties were characterized. A good particle distribution of the Cu-Al-Ni particles in the matrices was observed. The composites exhibit very high damping capacities in relatively wide temperature ranges. The methodology introduced provides versatility to control the temperature of maximum damping by adjusting the shape memory alloy composition.

  12. Printable Graphene-based Thermoelectric Device with High Temperature Capability

    NASA Astrophysics Data System (ADS)

    Li, Tian; Chen, Yanan; Drew, Dennis; Hu, Liangbing; NanomaterialsEmerging Devices Collaboration

    Thermoelectric devices are of particular interest due to their capability to convert heat into electrical power. We demonstrate the use of a Graphene-based thermoelectric device that can generate output voltages of hundreds of millivolts with an illuminating Graphene strip as the blackbody source. Our proposed device is superior for thermoelectric conversion mainly due to its high temperature capability that yields a maximum Carnot efficiency limit of 90% (referenced to room temperature) and a high Seebeck coefficient. Our device is also macroscopic with good mechanical strength and stabilized performance, making it attractive for large scale and reliable thermoelectric devices.

  13. Highly sensitive bovine serum albumin biosensor based on liquid crystal

    NASA Astrophysics Data System (ADS)

    Sharma, Vikash; Kumar, Ajay; Ganguly, Prasun; Biradar, A. M.

    2014-01-01

    A highly sensitive liquid crystal (LC) based bovine serum albumin (BSA) protein biosensor is designed. A uniform homeotropic alignment of nematic LC was observed in BSA free substrate which changed into homogeneous in presence of BSA. The change in the LC orientation is found to depend strongly on BSA concentration. This change in the LC alignment is attributed to the modification in the surface conditions which is verified by contact angle measurements. We have detected an ultra low concentration (0.5 μg/ml) of BSA. The present study demonstrates the utilization of LC in the realization of high sensitivity biosensors.

  14. Photonic microwave receivers based on high-Q optical resonance

    NASA Astrophysics Data System (ADS)

    Hossein-Zadeh, Mani

    2012-02-01

    The quest for low power and high frequency electro-optical modulator has been one of the important endeavors in microwave photonics. The advent of microdisk electro-optic modulator created a new domain in optical modulator and photonic microwave receiver design by exploiting the unique properties of high quality (high-Q) Whispering-Gallery Mode (WGM) optical cavities. High-Q crystalline WG cavities were the first devices used as compact and low power resonant electro-optical modulators and gradually semiconductor and polymer based microdisk and microring modulators emerged from this core technology. Due to its small size, high sensitivity and limited bandwidth, originally microdisk modulator was developed with the objective of replacing the conventional microwave wireless receiver frontend with a sensitive photonic front-end. Later it was shown that the electro-optic microdisk modulator could also function as a microwave frequency mixer in optical domain. Starting from fundamentals of resonant electro-optic modulation in high-Q WGM cavities, in this paper we review the development of high sensitivity microdisk modulators and the recent progress toward more efficient modulation at higher frequencies. Next related topics such as singlesideband modulation, all-dielectric photonic receiver, and semiconductor microring modulators are briefly discussed. Finally, photonic microwave receiver configurations that employ high-Q optical resonance for modulation, filtering and mixing are presented. We will show that high-Q optical resonance is one of the promising routes toward the general idea of an all-optical microwave receiver free of high frequency electronic transistors, mixers and filters.

  15. Development of high-performance diamine-based polybenzoxazines

    NASA Astrophysics Data System (ADS)

    Allen, Douglas James

    A series of linear aliphatic diamine-based benzoxazine monomers has been synthesized and characterized. These benzoxazine monomers polymerize at elevated temperatures into transparent, crosslinked materials with an inherently flexible network structure. These aliphatic diamine-based benzoxazines are atypical in that polyfunctionality is provided by the amine portion of the benzoxazine structure, rather than by a multifunctional phenol as is more conventional utilized. The kinetics of thermally activated polymerization for this series of diamine-based benzoxazine monomers is investigated by infrared spectroscopy and reveals that the rate of polymerization is inversely proportional to the length of the aliphatic diamine chain. The monomer based on the shortest diamine, ethylene diamine, is shown by differential scanning calorimetry to polymerize by a dual-mode process with an onset temperature that is lower than ever previously seen for bisphenol-based benzoxazines. The normalized heat of polymerization for monomers based on longer diamines is largely independent of the diamine chain length. The polybenzoxazines that are prepared from the linear aliphatic diamine-based benzoxazine monomers display a high degree of inherent flexibility, with mechanical and physical properties that strongly depend on the length of the aliphatic chain. Despite the flexible nature of the diamine chains, several of the aliphatic diamine-based polybenzoxazines have high glass transition temperatures and crosslink densities that exceed those of typical bisphenol-based polybenzoxazines. By selective blocking of the ortho, para, and meta reactive sites on the aromatic ring with a series of methyl-substituted monomers, polymerization is regiospecified and the type of linkage in the network structure is controlled. The substituted benzoxazines are shown to polymerize by similar mechanisms and possess a heat of polymerization by differential scanning calorimetry that is independent of both

  16. Spatial augmented reality based high accuracy human face projection

    NASA Astrophysics Data System (ADS)

    Li, Dong; Xie, Jinghui; Li, Yufeng; Weng, Dongdong; Liu, Yue

    2015-08-01

    This paper discusses the imaging principles and the technical difficulties of spatial augmented reality based human face projection. A novel geometry correction method is proposed to realize fast, high-accuracy face model projection. Using a depth camera to reconstruct the projected object, the relative position from the rendered model to the projector can be accessed and the initial projection image is generated. Then the projected image is distorted by using Bezier interpolation to guarantee that the projected texture matches with the object surface. The proposed method is under a simple process flow and can achieve high perception registration of virtual and real object. In addition, this method has a good performance in the condition that the reconstructed model is not exactly same with the rendered virtual model which extends its application area in the spatial augmented reality based human face projection.

  17. A High Temperature Capacitive Humidity Sensor Based on Mesoporous Silica

    PubMed Central

    Wagner, Thorsten; Krotzky, Sören; Weiß, Alexander; Sauerwald, Tilman; Kohl, Claus-Dieter; Roggenbuck, Jan; Tiemann, Michael

    2011-01-01

    Capacitive sensors are the most commonly used devices for the detection of humidity because they are inexpensive and the detection mechanism is very specific for humidity. However, especially for industrial processes, there is a lack of dielectrics that are stable at high temperature (>200 °C) and under harsh conditions. We present a capacitive sensor based on mesoporous silica as the dielectric in a simple sensor design based on pressed silica pellets. Investigation of the structural stability of the porous silica under simulated operating conditions as well as the influence of the pellet production will be shown. Impedance measurements demonstrate the utility of the sensor at both low (90 °C) and high (up to 210 °C) operating temperatures. PMID:22163790

  18. Lithium-Based High Energy Density Flow Batteries

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V. (Inventor); West, William C. (Inventor); Kindler, Andrew (Inventor); Smart, Marshall C. (Inventor)

    2014-01-01

    Systems and methods in accordance with embodiments of the invention implement a lithium-based high energy density flow battery. In one embodiment, a lithium-based high energy density flow battery includes a first anodic conductive solution that includes a lithium polyaromatic hydrocarbon complex dissolved in a solvent, a second cathodic conductive solution that includes a cathodic complex dissolved in a solvent, a solid lithium ion conductor disposed so as to separate the first solution from the second solution, such that the first conductive solution, the second conductive solution, and the solid lithium ionic conductor define a circuit, where when the circuit is closed, lithium from the lithium polyaromatic hydrocarbon complex in the first conductive solution dissociates from the lithium polyaromatic hydrocarbon complex, migrates through the solid lithium ionic conductor, and associates with the cathodic complex of the second conductive solution, and a current is generated.

  19. High resolution images of Venus from ground-based radar

    NASA Technical Reports Server (NTRS)

    Jurgens, R. F.; Slade, M. A.; Robinett, L.; Brokl, S.; Downs, G. S.

    1988-01-01

    The Goldstone Deep Space Station ground-based synthetic aperture radar system has been used to obtain radar images of Venus with resolutions of close to 1.3 km. Observations were made at 12.5 cm wavelength using circular polarization. From 12 days of observations during the 1986 inferior conjunction, three images have been selected for initial processing. The images show remarkable surface features including craters, ridges, and regions of high Fresnel reflectivity in the plains region.

  20. High gain preamplifier based on optical parametric amplification

    DOEpatents

    Jovanovic, Igor; Bonner, Randal A.

    2004-08-10

    A high-gain preamplifier based on optical parametric amplification. A first nonlinear crystal is operatively connected to a second nonlinear crystal. A first beam relay telescope is operatively connected to a second beam relay telescope, to the first nonlinear crystal, and to the second nonlinear crystal. A first harmonic beamsplitter is operatively connected to a second harmonic beamsplitter, to the first nonlinear crystal, to the second nonlinear crystal, to the first beam relay telescope, and to the second beam relay telescope.

  1. Abiotic transformation of high explosives by freshly precipitated iron minerals in aqueous FeII solutions.

    PubMed

    Boparai, Hardiljeet K; Comfort, Steve D; Satapanajaru, Tunlawit; Szecsody, Jim E; Grossl, Paul R; Shea, Patrick J

    2010-05-01

    Zerovalent iron barriers have become a viable treatment for field-scale cleanup of various ground water contaminants. While contact with the iron surface is important for contaminant destruction, the interstitial pore water within and near the iron barrier will be laden with aqueous, adsorbed and precipitated Fe(II) phases. These freshly precipitated iron minerals could play an important role in transforming high explosives (HE). Our objective was to determine the transformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene) by freshly precipitated iron Fe(II)/Fe(III) minerals. This was accomplished by quantifying the effects of initial Fe(II) concentration, pH, and the presence of aquifer solids (Fe(III) phases) on HE transformation rates. Results showed that at pH 8.2, freshly precipitated iron minerals transformed RDX, HMX, and TNT with reaction rates increasing with increasing Fe(II) concentrations. RDX and HMX transformations in these solutions also increased with increasing pH (5.8-8.55). By contrast, TNT transformation was not influenced by pH (6.85-8.55) except at pH values <6.35. Transformations observed via LC/MS included a variety of nitroso products (RDX, HMX) and amino degradation products (TNT). XRD analysis identified green rust and magnetite as the dominant iron solid phases that precipitated from the aqueous Fe(II) during HE treatment under anaerobic conditions. Geochemical modeling also predicted Fe(II) activity would likely be controlled by green rust and magnetite. These results illustrate the important role freshly precipitated Fe(II)/Fe(III) minerals in aqueous Fe(II) solutions play in the transformation of high explosives. PMID:20226494

  2. Abiotic transformation of high explosives by freshly precipitated iron minerals in aqueous FeII solutions.

    PubMed

    Boparai, Hardiljeet K; Comfort, Steve D; Satapanajaru, Tunlawit; Szecsody, Jim E; Grossl, Paul R; Shea, Patrick J

    2010-05-01

    Zerovalent iron barriers have become a viable treatment for field-scale cleanup of various ground water contaminants. While contact with the iron surface is important for contaminant destruction, the interstitial pore water within and near the iron barrier will be laden with aqueous, adsorbed and precipitated Fe(II) phases. These freshly precipitated iron minerals could play an important role in transforming high explosives (HE). Our objective was to determine the transformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene) by freshly precipitated iron Fe(II)/Fe(III) minerals. This was accomplished by quantifying the effects of initial Fe(II) concentration, pH, and the presence of aquifer solids (Fe(III) phases) on HE transformation rates. Results showed that at pH 8.2, freshly precipitated iron minerals transformed RDX, HMX, and TNT with reaction rates increasing with increasing Fe(II) concentrations. RDX and HMX transformations in these solutions also increased with increasing pH (5.8-8.55). By contrast, TNT transformation was not influenced by pH (6.85-8.55) except at pH values <6.35. Transformations observed via LC/MS included a variety of nitroso products (RDX, HMX) and amino degradation products (TNT). XRD analysis identified green rust and magnetite as the dominant iron solid phases that precipitated from the aqueous Fe(II) during HE treatment under anaerobic conditions. Geochemical modeling also predicted Fe(II) activity would likely be controlled by green rust and magnetite. These results illustrate the important role freshly precipitated Fe(II)/Fe(III) minerals in aqueous Fe(II) solutions play in the transformation of high explosives.

  3. Highly stable, extremely high-temperature, nonvolatile memory based on resistance switching in polycrystalline Pt nanogaps

    NASA Astrophysics Data System (ADS)

    Suga, Hiroshi; Suzuki, Hiroya; Shinomura, Yuma; Kashiwabara, Shota; Tsukagoshi, Kazuhito; Shimizu, Tetsuo; Naitoh, Yasuhisa

    2016-10-01

    Highly stable, nonvolatile, high-temperature memory based on resistance switching was realized using a polycrystalline platinum (Pt) nanogap. The operating temperature of the memory can be drastically increased by the presence of a sharp-edged Pt crystal facet in the nanogap. A short distance between the facet edges maintains the nanogap shape at high temperature, and the sharp shape of the nanogap densifies the electric field to maintain a stable current flow due to field migration. Even at 873 K, which is a significantly higher temperature than feasible for conventional semiconductor memory, the nonvolatility of the proposed memory allows stable ON and OFF currents, with fluctuations of less than or equal to 10%, to be maintained for longer than eight hours. An advantage of this nanogap scheme for high-temperature memory is its secure operation achieved through the assembly and disassembly of a Pt needle in a high electric field.

  4. Highly stable, extremely high-temperature, nonvolatile memory based on resistance switching in polycrystalline Pt nanogaps

    PubMed Central

    Suga, Hiroshi; Suzuki, Hiroya; Shinomura, Yuma; Kashiwabara, Shota; Tsukagoshi, Kazuhito; Shimizu, Tetsuo; Naitoh, Yasuhisa

    2016-01-01

    Highly stable, nonvolatile, high-temperature memory based on resistance switching was realized using a polycrystalline platinum (Pt) nanogap. The operating temperature of the memory can be drastically increased by the presence of a sharp-edged Pt crystal facet in the nanogap. A short distance between the facet edges maintains the nanogap shape at high temperature, and the sharp shape of the nanogap densifies the electric field to maintain a stable current flow due to field migration. Even at 873 K, which is a significantly higher temperature than feasible for conventional semiconductor memory, the nonvolatility of the proposed memory allows stable ON and OFF currents, with fluctuations of less than or equal to 10%, to be maintained for longer than eight hours. An advantage of this nanogap scheme for high-temperature memory is its secure operation achieved through the assembly and disassembly of a Pt needle in a high electric field. PMID:27725705

  5. Novel class of highly selective divanillin-based PACs

    NASA Astrophysics Data System (ADS)

    Medina, Arturo N.; Ferreira, Lawrence; Tadros, Sobhy P.; Sizensky, Joseph J.; Fregeolle, M.; Blakeney, Andrew J.; Toukhy, Medhat A.

    1996-06-01

    A new class of diazonaphthoquinone (DNQ) photoactive compounds (PACs) based on the divanillin core is introduced in this paper. The general structure of these PAC backbones is shown in Formula 1. The divanillin structure possesses unique electronic characteristics which influence its DNQ-SO2Cl esterification reactions to be highly selective. The most reactive site for esterification in Formula 1 is one of the divanillin hydroxyls despite the typically higher steric hindrance. Surprisingly, the esterification product is then significantly deactivated towards esterification at the other previously equivalent divanillin OH. The result of using 3 equivalents of DNQ-SO2Cl to esterify tetraphenolic species is the formation of high percentages of the specific triester in which the second divanillyl OH remains unesterified. The deactivation of the second divanillin OH after the initial esterification indicates some interaction between the two o,o-biphenol rings despite its inability to be coplanar for conjugation of (pi) electrons because of steric hindrance. Possible explanations for this interaction are explored using molecular simulation tools. Diverse members of the divanillin PAC family have been prepared from phenols of varying structure and hydrophobicities. These PACs were tested lithographically and the results correlated with PAC backbone structure. The characteristic dissolution rate behavior of the resist formulations based on triesterified PACs, measured as a function of exposure dose, generally show high discrimination and strong inhibition, even with the more hydrophilic PACs. These formulations typically exhibited high resolution, wide focus latitude, and exposure margins greater than 2.0 in lithographic screening.

  6. Carbon nanotube transistor based high-frequency electronics

    NASA Astrophysics Data System (ADS)

    Schroter, Michael

    At the nanoscale carbon nanotubes (CNTs) have higher carrier mobility and carrier velocity than most incumbent semiconductors. Thus CNT based field-effect transistors (FETs) are being considered as strong candidates for replacing existing MOSFETs in digital applications. In addition, the predicted high intrinsic transit frequency and the more recent finding of ways to achieve highly linear transfer characteristics have inspired investigations on analog high-frequency (HF) applications. High linearity is extremely valuable for an energy efficient usage of the frequency spectrum, particularly in mobile communications. Compared to digital applications, the much more relaxed constraints for CNT placement and lithography combined with already achieved operating frequencies of at least 10 GHz for fabricated devices make an early entry in the low GHz HF market more feasible than in large-scale digital circuits. Such a market entry would be extremely beneficial for funding the development of production CNTFET based process technology. This talk will provide an overview on the present status and feasibility of HF CNTFET technology will be given from an engineering point of view, including device modeling, experimental results, and existing roadblocks.

  7. An easily fabricated high performance ionic polymer based sensor network

    NASA Astrophysics Data System (ADS)

    Zhu, Zicai; Wang, Yanjie; Hu, Xiaopin; Sun, Xiaofei; Chang, Longfei; Lu, Pin

    2016-08-01

    Ionic polymer materials can generate an electrical potential from ion migration under an external force. For traditional ionic polymer metal composite sensors, the output voltage is very small (a few millivolts), and the fabrication process is complex and time-consuming. This letter presents an ionic polymer based network of pressure sensors which is easily and quickly constructed, and which can generate high voltage. A 3 × 3 sensor array was prepared by casting Nafion solution directly over copper wires. Under applied pressure, two different levels of voltage response were observed among the nine nodes in the array. For the group producing the higher level, peak voltages reached as high as 25 mV. Computational stress analysis revealed the physical origin of the different responses. High voltages resulting from the stress concentration and asymmetric structure can be further utilized to modify subsequent designs to improve the performance of similar sensors.

  8. Highly Efficient Oxygen Reduction Electrocatalysts based on Winged Carbon Nanotubes

    PubMed Central

    Cheng, Yingwen; Zhang, Hongbo; Varanasi, Chakrapani V.; Liu, Jie

    2013-01-01

    Developing electrocatalysts with both high selectivity and efficiency for the oxygen reduction reaction (ORR) is critical for several applications including fuel cells and metal-air batteries. In this work we developed high performance electrocatalysts based on unique winged carbon nanotubes. We found that the outer-walls of a special type of carbon nanotubes/nanofibers, when selectively oxidized, unzipped and exfoliated, form graphene wings strongly attached to the inner tubes. After doping with nitrogen, the winged nanotubes exhibited outstanding activity toward catalyzing the ORR through the four-electron pathway with excellent stability and methanol/carbon monoxide tolerance. While the doped graphene wings with high active site density bring remarkable catalytic activity, the inner tubes remain intact and conductive to facilitate electron transport during electrocatalysis. PMID:24217312

  9. Improved performance of silicon nitride-based high temperature ceramics

    NASA Technical Reports Server (NTRS)

    Ashbrook, R. L.

    1977-01-01

    Recent progress in the production of Si3N4 based ceramics is reviewed: (1) high temperature strength and toughness of hot pressed Si3N4 were improved by using high purity powder and a stabilized ZrO2 additive, (2) impact resistance of hot pressed Si3N4 was increased by the use of a crushable energy absorbing layer, (3) the oxidation resistance and strength of reaction sintered Si3N4 were increased by impregnating reaction sintered silicon nitride with solutions that oxidize to Al2O3 or ZrO2, (4) beta prime SiA1ON compositions and sintering aids were developed for improved oxidation resistance or improved high temperature strength.

  10. CCD-based optical CT scanning of highly attenuating phantoms

    NASA Astrophysics Data System (ADS)

    Al-Nowais, Shamsa; Doran, Simon J.

    2009-05-01

    The introduction of optical computed tomography (optical-CT) offers economic and easy to use 3-D optical readout for gel dosimeters. However, previous authors have noted some challenges regarding the accuracy of such imaging techniques at high values of optical density. In this paper, we take a closer look at the 'cupping' artefact evident in both light-scattering polymer systems and highly light absorbing phantoms using our CCD-based optical scanner. In addition, a technique is implemented whereby the maximum measurable optical absorbance is extended to correct for any errors that may have occurred in the estimated value of the dark current or ambient light reaching the detector. The results indicate that for absorbance values up to 2.0, the optical scanner results have good accuracy, whereas this is not the case at high absorbance values for reasons yet to be explained.

  11. Unique high temperature microwave sintering of aluminum nitride based ceramics with high thermal conductivity

    NASA Astrophysics Data System (ADS)

    Xu, Gengfu

    High temperature microwave sintering is one of the most challenging areas in microwave processing of ceramics. In this dissertation, for the first time, stable, controlled "ultra" high temperature (up to 2100°C) microwave sintering was achieved by development of a unique insulation system based on BN/ZrO2 fiber composite powder synthesized by a unique processing route. It uses a system approach to mitigate the tendency of all insulation materials to interfere with specimen coupling. This insulation system allows stable, controlled ultra high microwave sintering and could be modified to microwave process materials with different thermal, dielectric properties with improved properties. In addition, unlike other high temperature microwave insulation schemes that must be replaced after each run, the insulation system is robust enough for repeated use. Using the insulation design, high density and very high thermal conductivity (˜225 W/m·K) AlN ceramics were fabricated much more efficiently (≤6 hours versus 10's to 100's of hours at high temperature) by microwave sintering than by comparable conventional sintering. A detailed data study of densification, grain growth and thermal conductivity in microwave sintered AlN indicated that there were two time regimes in the development of high thermal conductivity AlN and that oxygen removal was more important to the development of high thermal conductivity than removal of the liquid phase sintering phase. While there have been many previous studies examining processing of high thermal conductivity AlN, this was the first study of microwave processing of high thermal conductivity AlN. AlN-TiB2 composites, which had previously only been successfully densified with pressure-assisted techniques such as HIPing or hot pressing, were successfully microwave sintered in this dissertation. The effect of TiB 2 on the densification behavior and thermal, mechanical, and dielectric properties of microwave sintered AlN based composites

  12. Explosion Heat and Metal Acceleration Ability of High Explosives

    NASA Astrophysics Data System (ADS)

    Makhov, M. N.

    2004-07-01

    Investigations of explosion heats of TNT and HMX show that in tests of unconfined charges the explosion products undergo intense secondary heating when approaching the wall of calorimetric bomb cavity. This secondary heating causes "re-freezing" the explosion products in conditions of low pressure. An inert metal casing whose mass is more than four times greater than that of explosive charge prevents the secondary heating of products to the "re-freezing" temperature and rules out a change in their composition. Filling of calorimetric bomb cavity before explosion with an inert gas produces an effect similar to that of charge casing. The value of explosion heat, measured under conditions that preclude "re-freezing" of explosion products can serve as a measure of the energy content of high explosive. With the use of this parameter a simple method for predicting explosive performance in Cylinder Test has been developed. The method is based on the assumption that the coefficient of conversion of the chemical energy to the kinetic energy depends on the volumetric mole number of gaseous products.

  13. High performance catalytic distillation using CNTs-based holistic catalyst for production of high quality biodiesel

    PubMed Central

    Zhang, Dongdong; Wei, Dali; Li, Qi; Ge, Xin; Guo, Xuefeng; Xie, Zaiku; Ding, Weiping

    2014-01-01

    For production of biodiesel from bio oils by heterogeneous catalysis, high performance catalysts of transesterification and the further utilization of glycerol have been the two points of research. The process seemed easy, however, has never been well established. Here we report a novel design of catalytic distillation using hierachically integrated CNTs-based holistic catalyst to figure out the two points in one process, which shows high performance both for the conversion of bio oils to biodiesel and, unexpectedly, for the conversion of glycerol to more valuable chemicals at the same time. The method, with integration of nano, meso to macro reactor, has overwhelming advantages over common technologies using liquid acids or bases to catalyze the reactions, which suffer from the high cost of separation and unsolved utilization of glycerol. PMID:24503897

  14. High performance catalytic distillation using CNTs-based holistic catalyst for production of high quality biodiesel.

    PubMed

    Zhang, Dongdong; Wei, Dali; Li, Qi; Ge, Xin; Guo, Xuefeng; Xie, Zaiku; Ding, Weiping

    2014-02-07

    For production of biodiesel from bio oils by heterogeneous catalysis, high performance catalysts of transesterification and the further utilization of glycerol have been the two points of research. The process seemed easy, however, has never been well established. Here we report a novel design of catalytic distillation using hierachically integrated CNTs-based holistic catalyst to figure out the two points in one process, which shows high performance both for the conversion of bio oils to biodiesel and, unexpectedly, for the conversion of glycerol to more valuable chemicals at the same time. The method, with integration of nano, meso to macro reactor, has overwhelming advantages over common technologies using liquid acids or bases to catalyze the reactions, which suffer from the high cost of separation and unsolved utilization of glycerol.

  15. High performance catalytic distillation using CNTs-based holistic catalyst for production of high quality biodiesel

    NASA Astrophysics Data System (ADS)

    Zhang, Dongdong; Wei, Dali; Li, Qi; Ge, Xin; Guo, Xuefeng; Xie, Zaiku; Ding, Weiping

    2014-02-01

    For production of biodiesel from bio oils by heterogeneous catalysis, high performance catalysts of transesterification and the further utilization of glycerol have been the two points of research. The process seemed easy, however, has never been well established. Here we report a novel design of catalytic distillation using hierachically integrated CNTs-based holistic catalyst to figure out the two points in one process, which shows high performance both for the conversion of bio oils to biodiesel and, unexpectedly, for the conversion of glycerol to more valuable chemicals at the same time. The method, with integration of nano, meso to macro reactor, has overwhelming advantages over common technologies using liquid acids or bases to catalyze the reactions, which suffer from the high cost of separation and unsolved utilization of glycerol.

  16. Inquiry-Based Instruction and High Stakes Testing

    NASA Astrophysics Data System (ADS)

    Cothern, Rebecca L.

    Science education is a key to economic success for a country in terms of promoting advances in national industry and technology and maximizing competitive advantage in a global marketplace. The December 2010 Program for International Student Assessment (PISA) ranked the United States 23rd of 65 countries in science. That dismal standing in science proficiency impedes the ability of American school graduates to compete in the global market place. Furthermore, the implementation of high stakes testing in science mandated by the 2007 No Child Left Behind (NCLB) Act has created an additional need for educators to find effective science pedagogy. Research has shown that inquiry-based science instruction is one of the predominant science instructional methods. Inquiry-based instruction is a multifaceted teaching method with its theoretical foundation in constructivism. A correlational survey research design was used to determine the relationship between levels of inquiry-based science instruction and student performance on a standardized state science test. A self-report survey, using a Likert-type scale, was completed by 26 fifth grade teachers. Participants' responses were analyzed and grouped as high, medium, or low level inquiry instruction. The unit of analysis for the achievement variable was the student scale score average from the state science test. Spearman's Rho correlation data showed a positive relationship between the level of inquiry-based instruction and student achievement on the state assessment. The findings can assist teachers and administrators by providing additional research on the benefits of the inquiry-based instructional method. Implications for positive social change include increases in student proficiency and decision-making skills related to science policy issues which can help make them more competitive in the global marketplace.

  17. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

    NASA Astrophysics Data System (ADS)

    Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias; Helmus, Rick; Knepper, Thomas P.; de Voogt, Pim

    2016-02-01

    High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.

  18. High-throughput siRNA-based functional target validation.

    PubMed

    Xin, Hong; Bernal, Alejandro; Amato, Frank A; Pinhasov, Albert; Kauffman, Jack; Brenneman, Douglas E; Derian, Claudia K; Andrade-Gordon, Patricia; Plata-Salamán, Carlos R; Ilyin, Sergey E

    2004-06-01

    The drug discovery process pursued by major pharmaceutical companies for many years starts with target identification followed by high-throughput screening (HTS) with the goal of identifying lead compounds. To accomplish this goal, significant resources are invested into automation of the screening process or HTS. Robotic systems capable of handling thousands of data points per day are implemented across the pharmaceutical sector. Many of these systems are amenable to handling cell-based screening protocols as well. On the other hand, as companies strive to develop innovative products based on novel mechanisms of action(s), one of the current bottlenecks of the industry is the target validation process. Traditionally, bioinformatics and HTS groups operate separately at different stages of the drug discovery process. The authors describe the convergence and integration of HTS and bioinformatics to perform high-throughput target functional identification and validation. As an example of this approach, they initiated a project with a functional cell-based screen for a biological process of interest using libraries of small interfering RNA (siRNA) molecules. In this protocol, siRNAs function as potent gene-specific inhibitors. siRNA-mediated knockdown of the target genes is confirmed by TaqMan analysis, and genes with impacts on biological functions of interest are selected for further analysis. Once the genes are confirmed and further validated, they may be used for HTS to yield lead compounds.

  19. High-throughput GPU-based LDPC decoding

    NASA Astrophysics Data System (ADS)

    Chang, Yang-Lang; Chang, Cheng-Chun; Huang, Min-Yu; Huang, Bormin

    2010-08-01

    Low-density parity-check (LDPC) code is a linear block code known to approach the Shannon limit via the iterative sum-product algorithm. LDPC codes have been adopted in most current communication systems such as DVB-S2, WiMAX, WI-FI and 10GBASE-T. LDPC for the needs of reliable and flexible communication links for a wide variety of communication standards and configurations have inspired the demand for high-performance and flexibility computing. Accordingly, finding a fast and reconfigurable developing platform for designing the high-throughput LDPC decoder has become important especially for rapidly changing communication standards and configurations. In this paper, a new graphic-processing-unit (GPU) LDPC decoding platform with the asynchronous data transfer is proposed to realize this practical implementation. Experimental results showed that the proposed GPU-based decoder achieved 271x speedup compared to its CPU-based counterpart. It can serve as a high-throughput LDPC decoder.

  20. Hierarchical polypyrrole based composites for high performance asymmetric supercapacitors

    NASA Astrophysics Data System (ADS)

    Chen, Gao-Feng; Liu, Zhao-Qing; Lin, Jia-Ming; Li, Nan; Su, Yu-Zhi

    2015-06-01

    An advanced asymmetric supercapacitor with high energy density, exploiting hierarchical polypyrrole (PPy) based composites as both the anode [three dimensional (3D) chuzzle-like Ni@PPy@MnO2] and (3D cochleate-like Ni@MnO2@PPy) cathode, has been developed. The ultrathin PPy and flower-like MnO2 orderly coating on the high-conductivity 3D-Ni enhance charge storage while the unique 3D chuzzle-like and 3D cochleate-like structures provide storage chambers and fast ion transport pathways for benefiting the transport of electrolyte ions. The 3D cochleate-like Ni@MnO2@PPy possesses excellent pseudocapacitance with a relatively negative voltage window while preserved EDLC and free transmission channels conducive to hold the high power, providing an ideal cathode for the asymmetric supercapacitor. It is the first report of assembling hierarchical PPy based composites as both the anode and cathode for asymmetric supercapacitor, which exhibits wide operation voltage of 1.3-1.5 V with maximum energy and power densities of 59.8 Wh kg-1 and 7500 W kg-1.

  1. High Quality Factor Mechanical Resonators Based on WSe2 Monolayers.

    PubMed

    Morell, Nicolas; Reserbat-Plantey, Antoine; Tsioutsios, Ioannis; Schädler, Kevin G; Dubin, François; Koppens, Frank H L; Bachtold, Adrian

    2016-08-10

    Suspended monolayer transition metal dichalcogenides (TMD) are membranes that combine ultralow mass and exceptional optical properties, making them intriguing materials for opto-mechanical applications. However, the low measured quality factor of TMD resonators has been a roadblock so far. Here, we report an ultrasensitive optical readout of monolayer TMD resonators that allows us to reveal their mechanical properties at cryogenic temperatures. We find that the quality factor of monolayer WSe2 resonators greatly increases below room temperature, reaching values as high as 1.6 × 10(4) at liquid nitrogen temperature and 4.7 × 10(4) at liquid helium temperature. This surpasses the quality factor of monolayer graphene resonators with similar surface areas. Upon cooling the resonator, the resonant frequency increases significantly due to the thermal contraction of the WSe2 lattice. These measurements allow us to experimentally study the thermal expansion coefficient of WSe2 monolayers for the first time. High Q-factors are also found in resonators based on MoS2 and MoSe2 monolayers. The high quality-factor found in this work opens new possibilities for coupling mechanical vibrational states to two-dimensional excitons, valley pseudospins, and single quantum emitters and for quantum opto-mechanical experiments based on the Casimir interaction. PMID:27459399

  2. High Quality Factor Mechanical Resonators Based on WSe2 Monolayers

    PubMed Central

    2016-01-01

    Suspended monolayer transition metal dichalcogenides (TMD) are membranes that combine ultralow mass and exceptional optical properties, making them intriguing materials for opto-mechanical applications. However, the low measured quality factor of TMD resonators has been a roadblock so far. Here, we report an ultrasensitive optical readout of monolayer TMD resonators that allows us to reveal their mechanical properties at cryogenic temperatures. We find that the quality factor of monolayer WSe2 resonators greatly increases below room temperature, reaching values as high as 1.6 × 104 at liquid nitrogen temperature and 4.7 × 104 at liquid helium temperature. This surpasses the quality factor of monolayer graphene resonators with similar surface areas. Upon cooling the resonator, the resonant frequency increases significantly due to the thermal contraction of the WSe2 lattice. These measurements allow us to experimentally study the thermal expansion coefficient of WSe2 monolayers for the first time. High Q-factors are also found in resonators based on MoS2 and MoSe2 monolayers. The high quality-factor found in this work opens new possibilities for coupling mechanical vibrational states to two-dimensional excitons, valley pseudospins, and single quantum emitters and for quantum opto-mechanical experiments based on the Casimir interaction. PMID:27459399

  3. Large motion high cycle high speed optical fibers for space based applications.

    SciTech Connect

    Stromberg, Peter G.; Tandon, Rajan; Gibson, Cory S; Reedlunn, Benjamin; Rasberry, Roger David; Rohr, Garth David

    2014-10-01

    Future remote sensing applications will require higher resolution and therefore higher data rates (up to perhaps 100 gigabits per second) while achieving lower mass and cost. A current limitation to the design space is high speed high bandwidth data does not cross movable gimbals because of cabling issues. This requires the detectors to be off gimbal. The ability to get data across the gimbal would open up efficiencies in designs where the detectors and the electronics can be placed anywhere on the system. Fiber optic cables provide light weight high speed high bandwidth connections. Current options are limited to 20,000 cycles as opposed to the 1,000,000 cycles needed for future space based applications. To extend this to the million+ regime, requires a thorough understanding of the failure mechanisms and the materials, proper selection of materials (e.g., glass and jacket material) allowable geometry changes to the cable, radiation hardness, etc.

  4. Ac irreversibility line of bismuth-based high temperature superconductors

    SciTech Connect

    Mehdaoui, A.; Beille, J.; Berling, D.; Loegel, B.; Noudem, J.G.; Tournier, R.

    1997-09-01

    We discuss the magnetic properties of lead doped Bi-2223 bulk samples obtained through combined magnetic melt texturing and hot pressing (MMTHP). The ac complex susceptibility measurements are achieved over a broad ac field range (1 Oe{lt}h{sub ac}{lt}100 Oe) and show highly anisotropic properties. The intergranular coupling is improved in the direction perpendicular to the applied stress and magnetic field direction, and an intragranular loss peak is observed for the first time. A comparison is made with other bismuth-based compounds and it is shown that the MMTHP process shifts the ac irreversibility line (ac IL) toward higher fields. It is also shown that all the ac IL{close_quote}s for quasi 2D bismuth-based compounds show a nearly quadratic temperature dependence and deviate therefore strongly from the linear behavior observed in quasi 3D compounds and expected from a critical state model.{copyright} {ital 1997 Materials Research Society.}

  5. Very High Output Thermoelectric Devices Based on ITO Nanocomposites

    NASA Technical Reports Server (NTRS)

    Fralick, Gustave; Gregory, Otto J.

    2009-01-01

    A material having useful thermoelectric properties was synthesized by combining indium-tin-oxide (ITO) with a NiCoCrAlY alloy/alumina cermet. This material had a very large Seebeck coefficient with electromotive-force-versustemperature behavior that is considered to be excellent with respect to utility in thermocouples and other thermoelectric devices. When deposited in thin-film form, ceramic thermocouples offer advantages over precious-metal (based, variously, on platinum or rhodium) thermocouples that are typically used in gas turbines. Ceramic thermocouples exhibit high melting temperatures, chemical stability at high temperatures, and little or no electromigration. Oxide ceramics also resist oxidation better than metal thermocouples, cost substantially less than precious-metal thermocouples, and, unlike precious-metal thermocouples, do not exert catalytic effects.

  6. High Resolution Optical Surface Investigation based on Heterodyne Interferometry

    NASA Astrophysics Data System (ADS)

    Spannagel, Ruven; Schuldt, Thilo; Braxmaier, Claus

    2012-07-01

    We present results on high precision optical profilometry for investigating reflecting surfaces with respect to surface properties such as structure, roughness, and waviness. Our metrology system is based on a highly symmetric heterodyne interferometer with a potential sensitivity at the picometer level. The profilometer is capable of scanning surfaces by actuating either the device under test (DUT), or the measurement laser beam of the interferometer. The current setup with DUT-actuation has a sensitivity of about 1 nm/ ? , and achives a measurement accuracy better than 5 nm at a measurement range of 100 μm with a lateral resolution of approximately 15 μm. Different profiles of various surfaces were measured and the reproducibility of the results have been demonstrated by measuring a reference surface.

  7. PCF based high power narrow line width pulsed fiber laser

    NASA Astrophysics Data System (ADS)

    Chen, H.; Yan, P.; Xiao, Q.; Wang, Y.; Gong, M.

    2012-09-01

    Based on semiconductor diode seeded multi-stage cascaded fiber amplifiers, we have obtained 88-W average power of a 1063-nm laser with high repetition rate of up to 1.5 MHz and a constant 2-ns pulse duration. No stimulated Brillouin scattering pulse or optical damage occurred although the maximum pulse peak power has exceeded 112 kW. The output laser exhibits excellent beam quality (M2x = 1.24 and M2y = 1.18), associated with a spectral line width as narrow as 0.065 nm (FWHM). Additionally, we demonstrate high polarization extinction ratio of 18.4 dB and good pulse stabilities superior to 1.6 % (RMS).

  8. High sensitivity optical waveguide accelerometer based on Fano resonance.

    PubMed

    Wan, Fenghua; Qian, Guang; Li, Ruozhou; Tang, Jie; Zhang, Tong

    2016-08-20

    An optical waveguide accelerometer based on tunable asymmetrical Fano resonance in a ring-resonator-coupled Mach-Zehnder interferometer (MZI) is proposed and analyzed. A Fano resonance accelerometer has a relatively large workspace of coupling coefficients with high sensitivity, which has potential application in inertial navigation, missile guidance, and attitude control of satellites. Due to the interference between a high-Q resonance pathway and a coherent background pathway, a steep asymmetric line shape is generated, which greatly improves the sensitivity of this accelerometer. The sensitivity of the accelerometer is about 111.75 mW/g. A 393-fold increase in sensitivity is achieved compared with a conventional MZI accelerometer and is approximately equal to the single ring structure.

  9. Disintegration of rocks based on magnetically isolated high voltage discharge

    NASA Astrophysics Data System (ADS)

    He, Mengbing; Jiang, Jinbo; Huang, Guoliang; Liu, Jun; Li, Chengzu

    2013-02-01

    Recently, a method utilizing pulsed power technology for disintegration of rocks arouses great interest of many researchers. In this paper, an improved method based on magnetic switch and the results shown that the uniform dielectrics like plastic can be broken down in water is presented, and the feasible mechanism explaining the breakdown of solid is proposed and proved experimentally. A high voltage pulse of 120 kV, rise time 0.2 μs was used to ignite the discharging channel in solids. When the plasma channel is formed in the solid, the resistance of the channel is quiet small; even if a relatively low voltage is applied on the channel on this occasion, it will produce high current to heat the plasma channel rapidly, and eventually disintegrate the solids. The feasibility of promising industrial application in the drilling and demolition of natural and artificial solid materials by the method we presented is verified by the experiment result in the paper.

  10. High sensitivity optical waveguide accelerometer based on Fano resonance.

    PubMed

    Wan, Fenghua; Qian, Guang; Li, Ruozhou; Tang, Jie; Zhang, Tong

    2016-08-20

    An optical waveguide accelerometer based on tunable asymmetrical Fano resonance in a ring-resonator-coupled Mach-Zehnder interferometer (MZI) is proposed and analyzed. A Fano resonance accelerometer has a relatively large workspace of coupling coefficients with high sensitivity, which has potential application in inertial navigation, missile guidance, and attitude control of satellites. Due to the interference between a high-Q resonance pathway and a coherent background pathway, a steep asymmetric line shape is generated, which greatly improves the sensitivity of this accelerometer. The sensitivity of the accelerometer is about 111.75 mW/g. A 393-fold increase in sensitivity is achieved compared with a conventional MZI accelerometer and is approximately equal to the single ring structure. PMID:27556984

  11. A fluorescence high-temperature sensor based on fluorescence lifetime

    NASA Astrophysics Data System (ADS)

    Wu, Jinling; Wang, Yutian; Wang, Xinian

    2006-11-01

    A kind of fluorescence optic-fiber temperature sensor is devised based on the alexandrite crystal. In this system, a new optic- fiber probe fabrication techniques is proposed. This system is particularly adapted to the temperature measurement in the range of room temperature to 650°C. During the cause of experimentation, using the PLD-PMTR (termed the Pulse Modulated Phase-locked detection with Two References) signal processing scheme. This temperature measurement method is proved to be effective and useful for its highly resolution and precision. It ensured the detected fluorescence signal to noise ratio was high enough to be measurable when the temperature is raised to 650°C.

  12. Small Cation-Based High-Performance Energetic Nitraminofurazanates.

    PubMed

    Tang, Yongxing; He, Chunlin; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-08-01

    Large nitramino-substituted furazan anions were combined with small cations (hydroxylammonium, hydrazinium, and ammonium) to form a series of energetic salts that was fully characterized. The structures of several of the compounds (1 a, 2 a, 3 a, and 4 a) were further confirmed by single-crystal X-ray diffraction. Based on their physiochemical properties, such as density, thermal stability, and sensitivity, together with the calculated detonation properties, it was found that they exhibit good detonation performance and have potential application as high-energy-density materials. PMID:27356077

  13. Small Cation-Based High-Performance Energetic Nitraminofurazanates.

    PubMed

    Tang, Yongxing; He, Chunlin; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2016-08-01

    Large nitramino-substituted furazan anions were combined with small cations (hydroxylammonium, hydrazinium, and ammonium) to form a series of energetic salts that was fully characterized. The structures of several of the compounds (1 a, 2 a, 3 a, and 4 a) were further confirmed by single-crystal X-ray diffraction. Based on their physiochemical properties, such as density, thermal stability, and sensitivity, together with the calculated detonation properties, it was found that they exhibit good detonation performance and have potential application as high-energy-density materials.

  14. TIO2 Based Electrorheological Fluid with High Yield Stress

    NASA Astrophysics Data System (ADS)

    Shen, Rong; Wang, Xuezhao; Wen, Weijia; Lu, Kunquan

    We have fabricated several TiO2 based ER fluids with doping and without designed doping, which exhibit the high yield stress up to more than 100kPa. The titanium oxide nanoparticles were synthesized by using wet chemical method. The ER effect of those materials is dominated by the special additives, such as amide or its ramification, as well as the remained molecules or ions in the sample preparation. It is found that the yield stress is also strongly dependent on the viscosity of the oil. The prepared ER fluids possess other attractive characters, for instance the current density is low and against sedimentation.

  15. Component-based software for high-performance scientific computing

    NASA Astrophysics Data System (ADS)

    Alexeev, Yuri; Allan, Benjamin A.; Armstrong, Robert C.; Bernholdt, David E.; Dahlgren, Tamara L.; Gannon, Dennis; Janssen, Curtis L.; Kenny, Joseph P.; Krishnan, Manojkumar; Kohl, James A.; Kumfert, Gary; Curfman McInnes, Lois; Nieplocha, Jarek; Parker, Steven G.; Rasmussen, Craig; Windus, Theresa L.

    2005-01-01

    Recent advances in both computational hardware and multidisciplinary science have given rise to an unprecedented level of complexity in scientific simulation software. This paper describes an ongoing grass roots effort aimed at addressing complexity in high-performance computing through the use of Component-Based Software Engineering (CBSE). Highlights of the benefits and accomplishments of the Common Component Architecture (CCA) Forum and SciDAC ISIC are given, followed by an illustrative example of how the CCA has been applied to drive scientific discovery in quantum chemistry. Thrusts for future research are also described briefly.

  16. High-brightness source based on luminescent concentration.

    PubMed

    de Boer, Dick K G; Bruls, Dominique; Jagt, Henri

    2016-07-11

    The concept of a high-luminance light source based on luminescent conversion of LED light and optical concentration in a transparent phosphor is explained. Experiments on a realized light source show that a luminous flux of 8500 lm and a luminance of 500 cd/mm2 can be attained using 56 pump LEDs at 330 W electrical input power. The measurement results are compared to optical simulations, showing that the experimental optical efficiency is slightly lower than expected. The present status enables applications like mid-segment digital projection using LED technology, whereas the concept is scalable to higher fluxes. PMID:27410894

  17. High-brightness source based on luminescent concentration.

    PubMed

    de Boer, Dick K G; Bruls, Dominique; Jagt, Henri

    2016-07-11

    The concept of a high-luminance light source based on luminescent conversion of LED light and optical concentration in a transparent phosphor is explained. Experiments on a realized light source show that a luminous flux of 8500 lm and a luminance of 500 cd/mm2 can be attained using 56 pump LEDs at 330 W electrical input power. The measurement results are compared to optical simulations, showing that the experimental optical efficiency is slightly lower than expected. The present status enables applications like mid-segment digital projection using LED technology, whereas the concept is scalable to higher fluxes.

  18. The use of ultra high-performance liquid chromatography for studying hydrolysis kinetics of CL-20 and related energetic compounds.

    PubMed

    Makarov, Alexey; Lobrutto, Rosario; Christodoulatos, Christos; Jerkovich, Anton

    2009-03-15

    Ultra high-performance liquid chromatography (UHPLC) utilizes columns packed with sub-2-mum stationary-phase particles and allows operation with pressures of up to 15,000 psi to yield increased resolution, speed, and sensitivity versus conventional HPLC. This promising new technology was used for the analysis of energetic compounds (RDX, HMX and CL-20) and a selective method was developed on an Acquity UPLC. A fast UHPLC method was applied to determine alkaline hydrolysis reaction kinetics of major energetic compounds. Activation energies of alkaline hydrolysis reaction for CL-20, RDX and HMX were comparable to those in literature, however they were determined in a shorter amount of time due to the speed of analysis of the chromatographic method. The use of liophilic salts (KPF(6)) as mobile-phase additives for the enhancement of separation selectivity of energetic compounds was demonstrated. PMID:18644671

  19. Development of Dielectric-Based High Gradient Accelerating Structures

    SciTech Connect

    Jing, C.; Gai, W.; Konecny, R.; Power, J.; Liu, W.; Gold, S. H.; Kinkead, A. K.; Kanareykin, A.; Kazakov, S.

    2006-11-27

    High gradient accelerating structures using dielectric-lined circular waveguides have been developed for a number of years at Argonne National Laboratory. In this article, we first report the experimental results of high power rf testing on the quartz based Dielectric-Loaded Accelerating (DLA) structure carried out on Feb. 2006 at the Naval Research Laboratory. The motivation for this experiment is to test the multipactor effect on different materials under high power and high vacuum condition. Up to 12 MW pulsed rf went through the tube without breakdown. Multipactor appeared during the experiment but with different features compared to other materials like alumina. Photomultiplier Tube (PMT) measurements were introduced into the experiment for the first time to observe the light emission time and intensity. In the second part of this paper, ways to achieve higher gradient for DLA structures are proposed: 1) smaller ID and longitudinal gap free DLA structures to reduce multipactor and obtain higher gradient; 2) new coaxial type coupler to avoid dielectric gap and improve impedance matching; 3) double layered DLA structure to reduce rf loss and enhance shunt impedance as well.

  20. Quantum chemical studies on three novel 1,2,4-triazole N-oxides as potential insensitive high explosives.

    PubMed

    Wu, Qiong; Zhu, Weihua; Xiao, Heming

    2014-09-01

    Three novel explosives were designed by introducing N-oxides into 1,2,4-triazole: 1-amino-3,5-dinitro-1,2,4-triazole-2 N-oxide (ADT2NO), 1-amino-2,5-dinitro-1,2,4-triazole-3 N-oxide (ADT3NO), and 1-amino-3,5-dinitro-1,2,4-triazole-4 N-oxide (ADT4NO). Their detonation performance and sensitivity were estimated by using density functional theory and compared with some famous explosives like 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and 1-methyl-2,4,6-trinitrobenzene (TNT). All three designed molecules are more powerful than HMX and less sensitive than TNT, indicating that ADT2NO, ADT3NO, and ADT4NO have high detonation performance as HMX and low sensitivity as TNT, making them being very valuable and may be considered as the potential candidates of insensitive high explosives. Properly introducing N-oxides into the energetic triazole derivatives can generate some superior energetic compounds with both high explosive performance and reduced sensitivity.

  1. A wearable, highly stable, strain and bending sensor based on high aspect ratio graphite nanobelts

    NASA Astrophysics Data System (ADS)

    Alaferdov, A. V.; Savu, R.; Rackauskas, T. A.; Rackauskas, S.; Canesqui, M. A.; de Lara, D. S.; Setti, G. O.; Joanni, E.; de Trindade, G. M.; Lima, U. B.; de Souza, A. S.; Moshkalev, S. A.

    2016-09-01

    A simple and scalable method was developed for the fabrication of wearable strain and bending sensors, based on high aspect ratio (length/thickness ˜103) graphite nanobelt thin films deposited by a modified Langmuir-Blodgett technique onto flexible polymer substrates. The sensing mechanism is based on the changes in contact resistance between individual nanobelts upon substrate deformation. Very high sensor response stability for more than 5000 strain-release cycles and a device power consumption as low as 1 nW were achieved. The device maximum stretchability is limited by the metal electrodes and the polymer substrate; the maximum strain that could be applied to the polymer used in this work was 40%. Bending tests carried out for various radii of curvature demonstrated distinct sensor responses for positive and negative curvatures. The graphite nanobelt thin flexible films were successfully tested for acoustic vibration and heartbeat sensing.

  2. A wearable, highly stable, strain and bending sensor based on high aspect ratio graphite nanobelts.

    PubMed

    Alaferdov, A V; Savu, R; Rackauskas, T A; Rackauskas, S; Canesqui, M A; de Lara, D S; Setti, G O; Joanni, E; de Trindade, G M; Lima, U B; de Souza, A S; Moshkalev, S A

    2016-09-16

    A simple and scalable method was developed for the fabrication of wearable strain and bending sensors, based on high aspect ratio (length/thickness ∼10(3)) graphite nanobelt thin films deposited by a modified Langmuir-Blodgett technique onto flexible polymer substrates. The sensing mechanism is based on the changes in contact resistance between individual nanobelts upon substrate deformation. Very high sensor response stability for more than 5000 strain-release cycles and a device power consumption as low as 1 nW were achieved. The device maximum stretchability is limited by the metal electrodes and the polymer substrate; the maximum strain that could be applied to the polymer used in this work was 40%. Bending tests carried out for various radii of curvature demonstrated distinct sensor responses for positive and negative curvatures. The graphite nanobelt thin flexible films were successfully tested for acoustic vibration and heartbeat sensing.

  3. A wearable, highly stable, strain and bending sensor based on high aspect ratio graphite nanobelts.

    PubMed

    Alaferdov, A V; Savu, R; Rackauskas, T A; Rackauskas, S; Canesqui, M A; de Lara, D S; Setti, G O; Joanni, E; de Trindade, G M; Lima, U B; de Souza, A S; Moshkalev, S A

    2016-09-16

    A simple and scalable method was developed for the fabrication of wearable strain and bending sensors, based on high aspect ratio (length/thickness ∼10(3)) graphite nanobelt thin films deposited by a modified Langmuir-Blodgett technique onto flexible polymer substrates. The sensing mechanism is based on the changes in contact resistance between individual nanobelts upon substrate deformation. Very high sensor response stability for more than 5000 strain-release cycles and a device power consumption as low as 1 nW were achieved. The device maximum stretchability is limited by the metal electrodes and the polymer substrate; the maximum strain that could be applied to the polymer used in this work was 40%. Bending tests carried out for various radii of curvature demonstrated distinct sensor responses for positive and negative curvatures. The graphite nanobelt thin flexible films were successfully tested for acoustic vibration and heartbeat sensing. PMID:27486955

  4. A wearable, highly stable, strain and bending sensor based on high aspect ratio graphite nanobelts

    NASA Astrophysics Data System (ADS)

    Alaferdov, A. V.; Savu, R.; Rackauskas, T. A.; Rackauskas, S.; Canesqui, M. A.; de Lara, D. S.; Setti, G. O.; Joanni, E.; de Trindade, G. M.; Lima, U. B.; de Souza, A. S.; Moshkalev, S. A.

    2016-09-01

    A simple and scalable method was developed for the fabrication of wearable strain and bending sensors, based on high aspect ratio (length/thickness ∼103) graphite nanobelt thin films deposited by a modified Langmuir–Blodgett technique onto flexible polymer substrates. The sensing mechanism is based on the changes in contact resistance between individual nanobelts upon substrate deformation. Very high sensor response stability for more than 5000 strain–release cycles and a device power consumption as low as 1 nW were achieved. The device maximum stretchability is limited by the metal electrodes and the polymer substrate; the maximum strain that could be applied to the polymer used in this work was 40%. Bending tests carried out for various radii of curvature demonstrated distinct sensor responses for positive and negative curvatures. The graphite nanobelt thin flexible films were successfully tested for acoustic vibration and heartbeat sensing.

  5. High yield neutron generator based on a high-current gasdynamic electron cyclotron resonance ion source

    SciTech Connect

    Skalyga, V.; Sidorov, A.; Izotov, I.; Golubev, S.; Razin, S.; Strelkov, A.; Tarvainen, O.; Koivisto, H.; Kalvas, T.

    2015-09-07

    In present paper, an approach for high yield compact D-D neutron generator based on a high current gasdynamic electron cyclotron resonance ion source is suggested. Results on dense pulsed deuteron beam production with current up to 500 mA and current density up to 750 mA/cm{sup 2} are demonstrated. Neutron yield from D{sub 2}O and TiD{sub 2} targets was measured in case of its bombardment by pulsed 300 mA D{sup +} beam with 45 keV energy. Neutron yield density at target surface of 10{sup 9} s{sup −1} cm{sup −2} was detected with a system of two {sup 3}He proportional counters. Estimations based on obtained experimental results show that neutron yield from a high quality TiD{sub 2} target bombarded by D{sup +} beam demonstrated in present work accelerated to 100 keV could reach 6 × 10{sup 10} s{sup −1} cm{sup −2}. It is discussed that compact neutron generator with such characteristics could be perspective for a number of applications like boron neutron capture therapy, security systems based on neutron scanning, and neutronography.

  6. Scratch-resistant, highly conductive, and high-strength carbon nanotube-based composite yarns.

    PubMed

    Liu, Kai; Sun, Yinghui; Lin, Xiaoyang; Zhou, Ruifeng; Wang, Jiaping; Fan, Shoushan; Jiang, Kaili

    2010-10-26

    High-strength and conductive carbon nanotube (CNT) yarns are very attractive in many potential applications. However, there is a difficulty when simultaneously enhancing the strength and conductivity of CNT yarns. Adding some polymers into CNT yarns to enhance their strength will decrease their conductivity, while treating them in acid or coating them with metal nanoparticles to enhance their conductivity will reduce their strength. To overcome this difficulty, here we report a method to make high-strength and highly conductive CNT-based composite yarns by using a continuous superaligned CNT (SACNT) yarn as a conductive framework and then inserting polyvinyl alcohol (PVA) into the intertube spaces of the framework through PVA/dimethyl sulphoxide solution to enhance the strength of yarns. The as-produced CNT/PVA composite yarns possess very high tensile strengths up to 2.0 GPa and Young's moduli more than 120 GPa, much higher than those of the CNT/PVA yarns reported. The electric conductivity of as-produced composite yarns is as high as 9.2 × 10(4) S/m, comparable to HNO(3)-treated or Au nanoparticle-coated CNT yarns. These composite yarns are flexible, lightweight, scratch-resistant, very stable in the lab environment, and resistant to extremely humid ambient and as a result can be woven into high-strength and heatable fabrics, showing potential applications in flexible heaters, bullet-proof vests, radiation protection suits, and spacesuits.

  7. Tobacco Stem-Based Activated Carbons for High Performance Supercapacitors

    NASA Astrophysics Data System (ADS)

    Xia, Xiaohong; Liu, Hongbo; Shi, Lei; He, Yuede

    2012-09-01

    Tobacco stem-based activated carbons (TS-ACs) were prepared by simple KOH activation and their application as electrodes in the electrical double layer capacitor (EDLC) performed successfully. The BET surface area, pore volume, and pore size distribution of the TS-ACs were evaluated based on N2 adsorption isotherms at 77 K. The surface area of the obtained activated carbons varies over a wide range (1472.8-3326.7 m2/g) and the mesoporosity was enhanced significantly as the ratio of KOH to tobacco stem (TS) increased. The electrochemical behaviors of series TS-ACs were characterized by means of galvanostatic charging/discharging, cyclic voltammetry, and impedance spectroscopy. The correlation between electrochemical properties and pore structure was investigated. A high specific capacitance value as 190 F/g at 1 mA/cm2 was obtained in 1 M LiPF6-EC/DMC/DEC electrolyte solution. Furthermore, good performance is also achieved even at high current densities. A development of new use for TS into a valuable energy storage material is explored.

  8. High pressure die casting of Fe-based metallic glass

    NASA Astrophysics Data System (ADS)

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-10-01

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

  9. High pressure die casting of Fe-based metallic glass

    PubMed Central

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-01-01

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications. PMID:27725780

  10. Laser damage threshold measurements of microstructure-based high reflectors

    NASA Astrophysics Data System (ADS)

    Hobbs, Douglas S.

    2008-10-01

    In 2007, the pulsed laser induced damage threshold (LIDT) of anti-reflecting (AR) microstructures built in fused silica and glass was shown to be up to three times greater than the LIDT of single-layer thin-film AR coatings, and at least five times greater than multiple-layer thin-film AR coatings. This result suggested that microstructure-based wavelength selective mirrors might also exhibit high LIDT. Efficient light reflection over a narrow spectral range can be produced by an array of sub-wavelength sized surface relief microstructures built in a waveguide configuration. Such surface structure resonant (SSR) filters typically achieve a reflectivity exceeding 99% over a 1-10nm range about the filter center wavelength, making SSR filters useful as laser high reflectors (HR). SSR laser mirrors consist of microstructures that are first etched in the surface of fused silica and borosilicate glass windows and subsequently coated with a thin layer of a non-absorbing high refractive index dielectric material such as tantalum pent-oxide or zinc sulfide. Results of an initial investigation into the LIDT of single layer SSR laser mirrors operating at 532nm, 1064nm and 1573nm are described along with data from SEM analysis of the microstructures, and spectral reflection measurements. None of the twelve samples tested exhibited damage thresholds above 3 J/cm2 when illuminated at the resonant wavelength, indicating that the simple single layer, first order design will need further development to be suitable for high power laser applications. Samples of SSR high reflectors entered in the Thin Film Damage Competition also exhibited low damage thresholds of less than 1 J/cm2 for the ZnS coated SSR, and just over 4 J/cm2 for the Ta2O5 coated SSR.

  11. Ultra-high speed communications based on solitons in fibers

    NASA Astrophysics Data System (ADS)

    Hasegawa, Akira

    2000-10-01

    The citation of the Maxwell prize reads: ``For innovative discoveries and seminal contributions to the theories of nonlinear drift wave turbulence, Alfvén wave propagation in laboratory and space plasmas, and optical solitons and their application to high speed communication". The prize is given to three somewhat unrelated contributions made during the course of my career as a plasma physicist. Traditionally an award talk summarizes works related to the citation. However, because of the diversified contents of the citations, I prepared my talk with the focus only on the last topic because some of the audience may be of more expertise on the other subjects. I apologize for the fact that the talk may be worth only one third of the prize. Multi-Terabits’s, ultra-high speed optical transmissions over several thousand kilometers on fibers are becoming reality and are expected to serve as the trunk line for highly demanded Internet traffics. Most of them use soliton or soliton-like RZ (Return to Zero) format in fibers with properly managed (group velocity) dispersion. These formats are the only stable envelope waveforms of light waves in fibers in the presence of Kerr (cubic) nonlineariy and dispersion with loss compensated by periodic optical amplifications. In practice, the transmission systems utilize the all-optical transmission concept and the nonlinear Schrodinger equation assisted by the split step numerical solutions as the master equation to describe the information transfer in fibers. All these facts are the outcome of research on optical solitons in fibers. The talk presents a brief historical development of the soliton based high-speed communications followed by current status of ultra-high speed communications by means of solitons as well as by other formats. Although the talk may not be of a core interest of plasma physics community, it presents an interesting example of a useful by-product of plasma physics research.

  12. Condensed-phase kinetic deuterium isotope effects in high-energy phenomena: Mechanistic investigations and relationships. Technical report, January 1975-December 1989

    SciTech Connect

    Shackelford, S.A.

    1989-12-01

    The rate-controlling mechanistic step of an energetic material's condensed phase thermochemical decomposition process is determined directly using the kinetic deuterium isotope effect (KDIE) approach. The KDIE is used with isothermal DSC and isothermal TGA analyses of TNT, HNBB, TATB, RDX, HMX, and their deuterium labeled analogs. The decomposition processes' rate-controlling step possibly can change as the energetic material physical state varies. The condensed phase KDIE approach that determines the rate-controlling mechanistic step in a slow thermochemical decomposition process, can be extended into the progressively more drastic high energy regimes encountered with the rapid pyrolytic decomposition/deflagration process, plus the higher temperature/pressure combustion, thermal explosion, and detonation events. The KDIE determined mechanistic relationships between the slow thermochemical decomposition process and more hostile high energy events are individually described for HMX, RDX, TATB, and TNT.

  13. SOI-Based High-Voltage, High-Temperature Integrated Circuit Gate Driver for SiC-Based Power FETs

    SciTech Connect

    Huque, Mohammad A; Tolbert, Leon M; Blalock, Benjamin; Islam, Syed K

    2010-01-01

    Silicon carbide (SiC)-based field effect transistors (FETs) are gaining popularity as switching elements in power electronic circuits designed for high-temperature environments like hybrid electric vehicle, aircraft, well logging, geothermal power generation etc. Like any other power switches, SiC-based power devices also need gate driver circuits to interface them with the logic units. The placement of the gate driver circuit next to the power switch is optimal for minimizing system complexity. Successful operation of the gate driver circuit in a harsh environment, especially with minimal or no heat sink and without liquid cooling, can increase the power-to-volume ratio as well as the power-to-weight ratio for power conversion modules such as a DC-DC converter, inverter etc. A silicon-on-insulator (SOI)-based high-voltage, high-temperature integrated circuit (IC) gate driver for SiC power FETs has been designed and fabricated using a commercially available 0.8-m, 2-poly and 3-metal bipolar-complementary metal oxide semiconductor (CMOS)-double diffused metal oxide semiconductor (DMOS) process. The prototype circuit-s maximum gate drive supply can be 40-V with peak 2.3-A sourcing/sinking current driving capability. Owing to the wide driving range, this gate driver IC can be used to drive a wide variety of SiC FET switches (both normally OFF metal oxide semiconductor field effect transistor (MOSFET) and normally ON junction field effect transistor (JFET)). The switching frequency is 20-kHz and the duty cycle can be varied from 0 to 100-. The circuit has been successfully tested with SiC power MOSFETs and JFETs without any heat sink and cooling mechanism. During these tests, SiC switches were kept at room temperature and ambient temperature of the driver circuit was increased to 200-C. The circuit underwent numerous temperature cycles with negligible performance degradation.

  14. Gd-HOPO Based High Relaxivity MRI Contrast Agents

    SciTech Connect

    Datta, Ankona; Raymond, Kenneth

    2008-11-06

    Tris-bidentate HOPO-based ligands developed in our laboratory were designed to complement the coordination preferences of Gd{sup 3+}, especially its oxophilicity. The HOPO ligands provide a hexadentate coordination environment for Gd{sup 3+} in which all he donor atoms are oxygen. Because Gd{sup 3+} favors eight or nine coordination, this design provides two to three open sites for inner-sphere water molecules. These water molecules rapidly exchange with bulk solution, hence affecting the relaxation rates of bulk water olecules. The parameters affecting the efficiency of these contrast agents have been tuned to improve contrast while still maintaining a high thermodynamic stability for Gd{sup 3+} binding. The Gd- HOPO-based contrast agents surpass current commercially available agents ecause of a higher number of inner-sphere water molecules, rapid exchange of inner-sphere water molecules via an associative mechanism, and a long electronic relaxation time. The contrast enhancement provided by these agents is at least twice that of commercial contrast gents, which are based on polyaminocarboxylate ligands.

  15. Abiotic transformation of high explosives by freshly precipitated iron minerals in aqueous Fe¹¹ solutions

    SciTech Connect

    Boparai, Hardiljeet K.; Comfort, Steve; Satapanajaru, Tunlawit; Szecsody, James E.; Grossl, Paul; Shea, Patrick

    2010-05-11

    Zerovalent iron barriers have become a viable treatment for field-scale cleanup of various ground water contaminants. While contact with the iron surface is important for contaminant destruction, the interstitial pore water within and near the iron barrier will be laden with aqueous, adsorbed and precipitated FeII phases. These freshly precipitated iron minerals could play an important role in transforming high explosives (HE). Our objective was to determine the transformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and TNT (2,4,6-trinitrotoluene) by freshly precipitated iron FeII/FeIII minerals. This was accomplished by quantifying the effects of initial FeII concentration, pH, and the presence of aquifer solids (FeIII phases) on HE transformation rates. Results showed that at pH 8.2, freshly precipitated iron minerals transformed RDX, HMX, and TNT with reaction rates increasing with increasing FeII concentrations. RDX and HMX transformations in these solutions also increased with increasing pH (5.8-8.55). By contrast, TNT transformation was not influenced by pH (6.85-8.55) except at pH values <6.35. Transformations observed via LC/MS included a variety of nitroso products (RDX, HMX) and amino degradation products (TNT). XRD analysis identified green rust and magnetite as the dominant iron solid phases that precipitated from the aqueous FeII during HE treatment under anaerobic conditions. Geochemical modeling also predicted FeII activity would likely be controlled by green rust and magnetite. These results illustrate the important role freshly precipitated FeII/FeIII minerals in aqueous FeII solutions play in the transformation of high explosives.

  16. Steady State Microbunching for High Brilliance and High Repetition Rate Storage Ring-Based Light Sources

    SciTech Connect

    Chao, Alex; Ratner, Daniel; Jiao, Yi; /Beijing, Inst. High Energy Phys.

    2012-09-06

    Electron-based light sources have proven to be effective sources of high brilliance, high frequency radiation. Such sources are typically either linac-Free Electron Laser (FEL) or storage ring types. The linac-FEL type has high brilliance (because the beam is microbunched) but low repetition rate. The storage ring type has high repetition rate (rapid beam circulation) but comparatively low brilliance or coherence. We propose to explore the feasibility of a microbunched beam in a storage ring that promises high repetition rate and high brilliance. The steady-state-micro-bunch (SSMB) beam in storage ring could provide CW sources for THz, EUV, or soft X-rays. Several SSMB mechanisms have been suggested recently, and in this report, we review a number of these SSMB concepts as promising directions for high brilliance, high repetition rate light sources of the future. The trick of SSMB lies in the RF system, together with the associated synchrotron beam dynamics, of the storage ring. Considering various different RF arrangements, there could be considered a number of scenarios of the SSMB. In this report, we arrange these scenarios more or less in order of the envisioned degree of technical challenge to the RF system, and not in the chronological order of their original references. Once the stored beam is steady-state microbunched in a storage ring, it passes through a radiator repeatedly every turn (or few turns). The radiator extracts a small fraction of the beam energy as coherent radiation with a wavelength corresponding to the microbunched period of the beam. In contrast to an FEL, this radiator is not needed to generate the microbunching (as required e.g. by SASE FELs or seeded FELs), so the radiator can be comparatively simple and short.

  17. THINK Back: KNowledge-based Interpretation of High Throughput data.

    PubMed

    Farfán, Fernando; Ma, Jun; Sartor, Maureen A; Michailidis, George; Jagadish, Hosagrahar V

    2012-01-01

    Results of high throughput experiments can be challenging to interpret. Current approaches have relied on bulk processing the set of expression levels, in conjunction with easily obtained external evidence, such as co-occurrence. While such techniques can be used to reason probabilistically, they are not designed to shed light on what any individual gene, or a network of genes acting together, may be doing. Our belief is that today we have the information extraction ability and the computational power to perform more sophisticated analyses that consider the individual situation of each gene. The use of such techniques should lead to qualitatively superior results. The specific aim of this project is to develop computational techniques to generate a small number of biologically meaningful hypotheses based on observed results from high throughput microarray experiments, gene sequences, and next-generation sequences. Through the use of relevant known biomedical knowledge, as represented in published literature and public databases, we can generate meaningful hypotheses that will aide biologists to interpret their experimental data. We are currently developing novel approaches that exploit the rich information encapsulated in biological pathway graphs. Our methods perform a thorough and rigorous analysis of biological pathways, using complex factors such as the topology of the pathway graph and the frequency in which genes appear on different pathways, to provide more meaningful hypotheses to describe the biological phenomena captured by high throughput experiments, when compared to other existing methods that only consider partial information captured by biological pathways. PMID:22536867

  18. THINK Back: KNowledge-based Interpretation of High Throughput data

    PubMed Central

    2012-01-01

    Results of high throughput experiments can be challenging to interpret. Current approaches have relied on bulk processing the set of expression levels, in conjunction with easily obtained external evidence, such as co-occurrence. While such techniques can be used to reason probabilistically, they are not designed to shed light on what any individual gene, or a network of genes acting together, may be doing. Our belief is that today we have the information extraction ability and the computational power to perform more sophisticated analyses that consider the individual situation of each gene. The use of such techniques should lead to qualitatively superior results. The specific aim of this project is to develop computational techniques to generate a small number of biologically meaningful hypotheses based on observed results from high throughput microarray experiments, gene sequences, and next-generation sequences. Through the use of relevant known biomedical knowledge, as represented in published literature and public databases, we can generate meaningful hypotheses that will aide biologists to interpret their experimental data. We are currently developing novel approaches that exploit the rich information encapsulated in biological pathway graphs. Our methods perform a thorough and rigorous analysis of biological pathways, using complex factors such as the topology of the pathway graph and the frequency in which genes appear on different pathways, to provide more meaningful hypotheses to describe the biological phenomena captured by high throughput experiments, when compared to other existing methods that only consider partial information captured by biological pathways. PMID:22536867

  19. THINK Back: KNowledge-based Interpretation of High Throughput data.

    PubMed

    Farfán, Fernando; Ma, Jun; Sartor, Maureen A; Michailidis, George; Jagadish, Hosagrahar V

    2012-03-13

    Results of high throughput experiments can be challenging to interpret. Current approaches have relied on bulk processing the set of expression levels, in conjunction with easily obtained external evidence, such as co-occurrence. While such techniques can be used to reason probabilistically, they are not designed to shed light on what any individual gene, or a network of genes acting together, may be doing. Our belief is that today we have the information extraction ability and the computational power to perform more sophisticated analyses that consider the individual situation of each gene. The use of such techniques should lead to qualitatively superior results. The specific aim of this project is to develop computational techniques to generate a small number of biologically meaningful hypotheses based on observed results from high throughput microarray experiments, gene sequences, and next-generation sequences. Through the use of relevant known biomedical knowledge, as represented in published literature and public databases, we can generate meaningful hypotheses that will aide biologists to interpret their experimental data. We are currently developing novel approaches that exploit the rich information encapsulated in biological pathway graphs. Our methods perform a thorough and rigorous analysis of biological pathways, using complex factors such as the topology of the pathway graph and the frequency in which genes appear on different pathways, to provide more meaningful hypotheses to describe the biological phenomena captured by high throughput experiments, when compared to other existing methods that only consider partial information captured by biological pathways.

  20. Integrating reconfigurable hardware-based grid for high performance computing.

    PubMed

    Dondo Gazzano, Julio; Sanchez Molina, Francisco; Rincon, Fernando; López, Juan Carlos

    2015-01-01

    FPGAs have shown several characteristics that make them very attractive for high performance computing (HPC). The impressive speed-up factors that they are able to achieve, the reduced power consumption, and the easiness and flexibility of the design process with fast iterations between consecutive versions are examples of benefits obtained with their use. However, there are still some difficulties when using reconfigurable platforms as accelerator that need to be addressed: the need of an in-depth application study to identify potential acceleration, the lack of tools for the deployment of computational problems in distributed hardware platforms, and the low portability of components, among others. This work proposes a complete grid infrastructure for distributed high performance computing based on dynamically reconfigurable FPGAs. Besides, a set of services designed to facilitate the application deployment is described. An example application and a comparison with other hardware and software implementations are shown. Experimental results show that the proposed architecture offers encouraging advantages for deployment of high performance distributed applications simplifying development process.

  1. Integrating reconfigurable hardware-based grid for high performance computing.

    PubMed

    Dondo Gazzano, Julio; Sanchez Molina, Francisco; Rincon, Fernando; López, Juan Carlos

    2015-01-01

    FPGAs have shown several characteristics that make them very attractive for high performance computing (HPC). The impressive speed-up factors that they are able to achieve, the reduced power consumption, and the easiness and flexibility of the design process with fast iterations between consecutive versions are examples of benefits obtained with their use. However, there are still some difficulties when using reconfigurable platforms as accelerator that need to be addressed: the need of an in-depth application study to identify potential acceleration, the lack of tools for the deployment of computational problems in distributed hardware platforms, and the low portability of components, among others. This work proposes a complete grid infrastructure for distributed high performance computing based on dynamically reconfigurable FPGAs. Besides, a set of services designed to facilitate the application deployment is described. An example application and a comparison with other hardware and software implementations are shown. Experimental results show that the proposed architecture offers encouraging advantages for deployment of high performance distributed applications simplifying development process. PMID:25874241

  2. Integrating Reconfigurable Hardware-Based Grid for High Performance Computing

    PubMed Central

    Dondo Gazzano, Julio; Sanchez Molina, Francisco; Rincon, Fernando; López, Juan Carlos

    2015-01-01

    FPGAs have shown several characteristics that make them very attractive for high performance computing (HPC). The impressive speed-up factors that they are able to achieve, the reduced power consumption, and the easiness and flexibility of the design process with fast iterations between consecutive versions are examples of benefits obtained with their use. However, there are still some difficulties when using reconfigurable platforms as accelerator that need to be addressed: the need of an in-depth application study to identify potential acceleration, the lack of tools for the deployment of computational problems in distributed hardware platforms, and the low portability of components, among others. This work proposes a complete grid infrastructure for distributed high performance computing based on dynamically reconfigurable FPGAs. Besides, a set of services designed to facilitate the application deployment is described. An example application and a comparison with other hardware and software implementations are shown. Experimental results show that the proposed architecture offers encouraging advantages for deployment of high performance distributed applications simplifying development process. PMID:25874241

  3. Machine Learning Based Road Detection from High Resolution Imagery

    NASA Astrophysics Data System (ADS)

    Lv, Ye; Wang, Guofeng; Hu, Xiangyun

    2016-06-01

    At present, remote sensing technology is the best weapon to get information from the earth surface, and it is very useful in geo- information updating and related applications. Extracting road from remote sensing images is one of the biggest demand of rapid city development, therefore, it becomes a hot issue. Roads in high-resolution images are more complex, patterns of roads vary a lot, which becomes obstacles for road extraction. In this paper, a machine learning based strategy is presented. The strategy overall uses the geometry features, radiation features, topology features and texture features. In high resolution remote sensing images, the images cover a great scale of landscape, thus, the speed of extracting roads is slow. So, roads' ROIs are firstly detected by using Houghline detection and buffering method to narrow down the detecting area. As roads in high resolution images are normally in ribbon shape, mean-shift and watershed segmentation methods are used to extract road segments. Then, Real Adaboost supervised machine learning algorithm is used to pick out segments that contain roads' pattern. At last, geometric shape analysis and morphology methods are used to prune and restore the whole roads' area and to detect the centerline of roads.

  4. High compliance vascular grafts based on semi-interpenetrating networks

    PubMed Central

    Dempsey, David K.; Nezarati, Roya M.; Mackey, Calvin E.

    2014-01-01

    Current synthetic vascular grafts have poor patency rates in small diameter applications (<6 mm) due to intimal hyperplasia arising from a compliance mismatch between the graft and native vasculature. Enormous efforts have focused on improving biomechanical properties; however, polymeric grafts are often constrained by an inverse relationship between burst pressure and compliance. We have developed a new, semi-interpenetrating network (semi-IPN) approach to improve compliance without sacrificing burst pressure. The effects of heat treatment on graft morphology, fiber architecture, and resultant biomechanical properties are presented. In addition, biomechanical properties after equilibration at physiological temperature were investigated in relation to polyurethane microstructure to better predict in vivo performance. Compliance values as high as 9.2 ± 2.7 %/mmHg x 10−4 were observed for the semi-IPN graft while also maintaining high burst pressure, 1780 ± 230 mm Hg. The high compliance of these heat-treated poly(carbonate urethane) (PCU) and semi-IPN grafts is expected to improve long-term patency rates beyond even saphenous vein autografts by preventing intimal hyperplasia. The fundamental structure-property relationships gained from this work may also be utilized to advance biomedical device designs based on thermoplastic polyurethanes. PMID:25601822

  5. Memory Benchmarks for SMP-Based High Performance Parallel Computers

    SciTech Connect

    Yoo, A B; de Supinski, B; Mueller, F; Mckee, S A

    2001-11-20

    As the speed gap between CPU and main memory continues to grow, memory accesses increasingly dominates the performance of many applications. The problem is particularly acute for symmetric multiprocessor (SMP) systems, where the shared memory may be accessed concurrently by a group of threads running on separate CPUs. Unfortunately, several key issues governing memory system performance in current systems are not well understood. Complex interactions between the levels of the memory hierarchy, buses or switches, DRAM back-ends, system software, and application access patterns can make it difficult to pinpoint bottlenecks and determine appropriate optimizations, and the situation is even more complex for SMP systems. To partially address this problem, we formulated a set of multi-threaded microbenchmarks for characterizing and measuring the performance of the underlying memory system in SMP-based high-performance computers. We report our use of these microbenchmarks on two important SMP-based machines. This paper has four primary contributions. First, we introduce a microbenchmark suite to systematically assess and compare the performance of different levels in SMP memory hierarchies. Second, we present a new tool based on hardware performance monitors to determine a wide array of memory system characteristics, such as cache sizes, quickly and easily; by using this tool, memory performance studies can be targeted to the full spectrum of performance regimes with many fewer data points than is otherwise required. Third, we present experimental results indicating that the performance of applications with large memory footprints remains largely constrained by memory. Fourth, we demonstrate that thread-level parallelism further degrades memory performance, even for the latest SMPs with hardware prefetching and switch-based memory interconnects.

  6. Current trends in virtual high throughput screening using ligand-based and structure-based methods.

    PubMed

    Sukumar, Nagamani; Das, Sourav

    2011-12-01

    High throughput in silico methods have offered the tantalizing potential to drastically accelerate the drug discovery process. Yet despite significant efforts expended by academia, national labs and industry over the years, many of these methods have not lived up to their initial promise of reducing the time and costs associated with the drug discovery enterprise, a process that can typically take over a decade and cost hundreds of millions of dollars from conception to final approval and marketing of a drug. Nevertheless structure-based modeling has become a mainstay of computational biology and medicinal chemistry, helping to leverage our knowledge of the biological target and the chemistry of protein-ligand interactions. While ligand-based methods utilize the chemistry of molecules that are known to bind to the biological target, structure-based drug design methods rely on knowledge of the three-dimensional structure of the target, as obtained through crystallographic, spectroscopic or bioinformatics techniques. Here we review recent developments in the methodology and applications of structure-based and ligand-based methods and target-based chemogenomics in Virtual High Throughput Screening (VHTS), highlighting some case studies of recent applications, as well as current research in further development of these methods. The limitations of these approaches will also be discussed, to give the reader an indication of what might be expected in years to come. PMID:21843144

  7. Highly Sensitive Nanoparticle-based Multifunctional Biosensor for Antigen Detection

    NASA Astrophysics Data System (ADS)

    Siavoshi, Salome

    electrophoresis technique to assemble the cancer specific anti-PSA, mAb-2C5 and CEA coated nanoparticles to show that the nanoparticle-based biochip can successfully measure low concentrations of various antigen. The principle of operation of these biosensors is the fluorescence based ELISA. Testing results of the nanoparticle-based biochips indicate very high specificity and the detection limit 200 times smaller than the commercially available devices for antigen detection, laying the foundation for early detection of various diseases. The optimized assembly of antibody coated particles and selective assembly techniques introduced in this work provide the necessary tools for fabricating a miniaturized nanoparticle-based in-vivo multiplex biosensor. The antigen detection results show the great potential for early detection of various diseases using the fabricated in-vivo device.

  8. Field effect type devices based on highly doped conducting polymer

    NASA Astrophysics Data System (ADS)

    Waldmann, O.; Park, J. H.; Hsu, F. C.; Chiou, N. R.; Kim, Y. R.; Epstein, A. J.

    2003-03-01

    Field-effect type devices based on the highly doped polymer poly(3,4-ethylenedioxythiophene)/polystyrene sulfonic acid (PEDOT/PSS) show a reversible change of the source-drain current by several orders of magnitude upon application of appropriate gate voltages. However, the underlying physical mechanism of their operation is little understood so far. A field-effect like operation, dopant ion diffusion, or electrochemical process has been conjectured. In this work, we investigated devices fabricated on glass substrates with polyvinyl phenol and aluminum as dielectric layer and gate, respectively. We applied a saw tooth shaped voltage profile to the gate electrode and a very small source-drain voltage while measuring gate and source-drain currents. These measurements resemble capacitance-voltage measurements used to study the field-effect in inorganic devices as well as cyclic voltammetry used in electrochemical work. Conclusions concerning the operation principle will be discussed. Supported in part by ONR.

  9. Chondroblastoma of the temporal base with high mitotic activity.

    PubMed

    Ishikawa, Eiichi; Tsuboi, Koji; Onizawa, Kojiro; Hara, Akira; Kusakari, Jun; Noguchi, Masayuki; Nose, Tadao

    2002-11-01

    A 24-year-old man presented with a rare chondroblastoma of the temporal base manifesting as local pain accompanied by difficulty in opening the mouth. Gross total removal was achieved at initial surgery, but the tumor demonstrated rapid and destructive regrowth from a very small residual volume without definite histological malignant transformation. Growth activity estimated by MIB-1 staining increased spontaneously from 2.5% at the initial operation to 18.7% at recurrence. Further extensive radical tumor removal by surgeons from multiple disciplines was performed. The patient has been free of recurrence for 3 years without radiotherapy. Chondroblastoma of the temporal bone is widely accepted as a benign tumor and regrowth after gross total removal is very rare. However, some cases of chondroblastoma have potentially high mitotic activity.

  10. Antibody-based immunotherapy in high-risk neuroblastoma.

    PubMed

    Johnson, Erik; Dean, Shannon M; Sondel, Paul M

    2007-01-01

    Although great advances have been made in the treatment of low- and intermediate-risk neuroblastoma in recent years, the prognosis for advanced disease remains poor. Therapies based on monoclonal antibodies that specifically target tumour cells have shown promise for treatment of high-risk neuroblastoma. This article reviews the use of monoclonal antibodies either as monotherapy or as part of a multifaceted treatment approach for advanced neuroblastoma, and explains how toxins, cytokines, radioactive isotopes or chemotherapeutic drugs can be conjugated to antibodies to enhance their effects. Tumour resistance, the development of blocking antibodies, and other problems hindering the effectiveness of monoclonal antibodies are also discussed. Future therapies under investigation in the area of immunotherapy for neuroblastoma are considered.

  11. A high-level language for rule-based modelling.

    PubMed

    Pedersen, Michael; Phillips, Andrew; Plotkin, Gordon D

    2015-01-01

    Rule-based languages such as Kappa excel in their support for handling the combinatorial complexities prevalent in many biological systems, including signalling pathways. But Kappa provides little structure for organising rules, and large models can therefore be hard to read and maintain. This paper introduces a high-level, modular extension of Kappa called LBS-κ. We demonstrate the constructs of the language through examples and three case studies: a chemotaxis switch ring, a MAPK cascade, and an insulin signalling pathway. We then provide a formal definition of LBS-κ through an abstract syntax and a translation to plain Kappa. The translation is implemented in a compiler tool which is available as a web application. We finally demonstrate how to increase the expressivity of LBS-κ through embedded scripts in a general-purpose programming language, a technique which we view as generally applicable to other domain specific languages. PMID:26043208

  12. Chondroblastoma of the temporal base with high mitotic activity.

    PubMed

    Ishikawa, Eiichi; Tsuboi, Koji; Onizawa, Kojiro; Hara, Akira; Kusakari, Jun; Noguchi, Masayuki; Nose, Tadao

    2002-11-01

    A 24-year-old man presented with a rare chondroblastoma of the temporal base manifesting as local pain accompanied by difficulty in opening the mouth. Gross total removal was achieved at initial surgery, but the tumor demonstrated rapid and destructive regrowth from a very small residual volume without definite histological malignant transformation. Growth activity estimated by MIB-1 staining increased spontaneously from 2.5% at the initial operation to 18.7% at recurrence. Further extensive radical tumor removal by surgeons from multiple disciplines was performed. The patient has been free of recurrence for 3 years without radiotherapy. Chondroblastoma of the temporal bone is widely accepted as a benign tumor and regrowth after gross total removal is very rare. However, some cases of chondroblastoma have potentially high mitotic activity. PMID:12472218

  13. UAV-based high-throughput phenotyping in legume crops

    NASA Astrophysics Data System (ADS)

    Sankaran, Sindhuja; Khot, Lav R.; Quirós, Juan; Vandemark, George J.; McGee, Rebecca J.

    2016-05-01

    In plant breeding, one of the biggest obstacles in genetic improvement is the lack of proven rapid methods for measuring plant responses in field conditions. Therefore, the major objective of this research was to evaluate the feasibility of utilizing high-throughput remote sensing technology for rapid measurement of phenotyping traits in legume crops. The plant responses of several chickpea and peas varieties to the environment were assessed with an unmanned aerial vehicle (UAV) integrated with multispectral imaging sensors. Our preliminary assessment showed that the vegetation indices are strongly correlated (p<0.05) with seed yield of legume crops. Results endorse the potential of UAS-based sensing technology to rapidly measure those phenotyping traits.

  14. High-Contrast Gratings based Spoof Surface Plasmons

    PubMed Central

    Li, Zhuo; Liu, Liangliang; Xu, Bingzheng; Ning, Pingping; Chen, Chen; Xu, Jia; Chen, Xinlei; Gu, Changqing; Qing, Quan

    2016-01-01

    In this work, we explore the existence of spoof surface plasmons (SSPs) supported by deep-subwavelength high-contrast gratings (HCGs) on a perfect electric conductor plane. The dispersion relation of the HCGs-based SSPs is derived analyt- ically by combining multimode network theory with rigorous mode matching method, which has nearly the same form with and can be degenerated into that of the SSPs arising from deep-subwavelength metallic gratings (MGs). Numerical simula- tions validate the analytical dispersion relation and an effective medium approximation is also presented to obtain the same analytical dispersion formula. This work sets up a unified theoretical framework for SSPs and opens up new vistas in surface plasmon optics. PMID:26879637

  15. Development of Highly Fluorescent Materials Based on Thiophenylimidazole Dyes

    NASA Technical Reports Server (NTRS)

    Santos, Javier; Bu, Xiu R.; Mintz, Eric A.; Meador, Michael A. (Technical Monitor)

    2000-01-01

    Organic fluorescent materials are expected to find many potential applications in optical devices and photo-functionalized materials. Although many investigations have been focused on heterocyclic compounds such as coumarins, bipyridines, rhodamines, and pyrrole derivatives, little is known for fluorescent imidazole materials. We discovered that one particular class of imidazole derivatives is highly fluorescent. A series of monomeric and polymeric based fluorescent dyes were prepared containing a thiophene unit at the second position of the imidazole ring. Dependence of fluorescence efficiency on parameters such as solvent polarity and substituent groups has been investigated. It was found that a formyl group at the 2-position of the thiophene ring dramatically enhance fluorescence properties. Ion recognition probes indicated their potential as sensor materials. These fluorophores have flexibility for introduction of versatile substituent groups that could improve the fluorescence efficiency and sensor properties.

  16. Theoretically predicted Fox-7 based new high energy density molecules

    NASA Astrophysics Data System (ADS)

    Ghanta, Susanta

    2016-08-01

    Computational investigation of CHNO based high energy density molecules (HEDM) are designed with FOX-7 (1, 1-dinitro 2, 2-diamino ethylene) skeleton. We report structures, stability and detonation properties of these new molecules. A systematic analysis is presented for the crystal density, activation energy for nitro to nitrite isomerisation and the C-NO2 bond dissociation energy of these molecules. The Atoms in molecules (AIM) calculations have been performed to interpret the intra-molecular weak H-bonding interactions and the stability of C-NO2 bonds. The structure optimization, frequency and bond dissociation energy calculations have been performed at B3LYP level of theory by using G03 quantum chemistry package. Some of the designed molecules are found to be more promising HEDM than FOX-7 molecule, and are proposed to be candidate for synthetic purpose.

  17. High-water-base hydraulic fluid-irradiation experiments

    SciTech Connect

    Bradley, E.C.; Meacham, S.A.

    1981-10-01

    A remote system for shearing spent nuclear fuel assemblies is being designed under the direction of the Consolidated Fuel Reprocessing Program (CFRP). The design incorporates a dual hydraulic fluid actuation system in which only one of the fluids, a high-water-base (HWBF), would be exposed to ionizing radiation and radioactive contamination. A commercially available synthetic, solution-type HWBF was selected as the reference. Single-sample irradiation experiments were conducted with three commercial fluids over a range of irradiation exposures. The physical and chemical properties of the irradiated HWBFs were analyzed and compared with unirradiated samples. In general, the results of the analyses showed increasing degradation of fluid properties with increasing irradiation dose. The results also indicated that a synthetic solution-type HWBF would perform satisfactorily in the remote shear system where irradiation doses up to 10/sup 6/ Gy (10/sup 8/ rad) are expected.

  18. High Density Memory Based on Quantum Device Technology

    NASA Technical Reports Server (NTRS)

    vanderWagt, Paul; Frazier, Gary; Tang, Hao

    1995-01-01

    We explore the feasibility of ultra-high density memory based on quantum devices. Starting from overall constraints on chip area, power consumption, access speed, and noise margin, we deduce boundaries on single cell parameters such as required operating voltage and standby current. Next, the possible role of quantum devices is examined. Since the most mature quantum device, the resonant tunneling diode (RTD) can easily be integrated vertically, it naturally leads to the issue of 3D integrated memory. We propose a novel method of addressing vertically integrated bistable two-terminal devices, such as resonant tunneling diodes (RTD) and Esaki diodes, that avoids individual physical contacts. The new concept has been demonstrated experimentally in memory cells of field effect transistors (FET's) and stacked RTD's.

  19. Piezo-based miniature high resolution stabilized gimbal

    NASA Astrophysics Data System (ADS)

    Karasikov, Nir; Peled, Gal; Yasinov, Roman; Yetkariov, Rita

    2016-05-01

    Piezo motors are characterized by higher mechanical power density, fast response and direct drive. These features are beneficial for miniature gimbals. A gimbal based on such motors was developed. Diameter is 58 mm, weight is 190 grams. The gimbal carries two cameras: a Flir Quark and an HD day camera. The dynamic performance is as high as 3 rad/sec velocity and 100 rad/secΛ2 acceleration. A two axes stabilization algorithm was developed, yielding 80 micro radian stabilization. Further, a panoramic image capture, at a rate of six stabilized field of views per second, was developed. The manuscript reviews the gimbal structure and open architecture, allowing adaptation to other cameras (SWIR etc.), the control algorithm and presents experimental results of stabilization and of panoramic views taken on a vibration platform and on a UAV.

  20. High-Contrast Gratings based Spoof Surface Plasmons

    NASA Astrophysics Data System (ADS)

    Li, Zhuo; Liu, Liangliang; Xu, Bingzheng; Ning, Pingping; Chen, Chen; Xu, Jia; Chen, Xinlei; Gu, Changqing; Qing, Quan

    2016-02-01

    In this work, we explore the existence of spoof surface plasmons (SSPs) supported by deep-subwavelength high-contrast gratings (HCGs) on a perfect electric conductor plane. The dispersion relation of the HCGs-based SSPs is derived analyt- ically by combining multimode network theory with rigorous mode matching method, which has nearly the same form with and can be degenerated into that of the SSPs arising from deep-subwavelength metallic gratings (MGs). Numerical simula- tions validate the analytical dispersion relation and an effective medium approximation is also presented to obtain the same analytical dispersion formula. This work sets up a unified theoretical framework for SSPs and opens up new vistas in surface plasmon optics.

  1. A high-level language for rule-based modelling.

    PubMed

    Pedersen, Michael; Phillips, Andrew; Plotkin, Gordon D

    2015-01-01

    Rule-based languages such as Kappa excel in their support for handling the combinatorial complexities prevalent in many biological systems, including signalling pathways. But Kappa provides little structure for organising rules, and large models can therefore be hard to read and maintain. This paper introduces a high-level, modular extension of Kappa called LBS-κ. We demonstrate the constructs of the language through examples and three case studies: a chemotaxis switch ring, a MAPK cascade, and an insulin signalling pathway. We then provide a formal definition of LBS-κ through an abstract syntax and a translation to plain Kappa. The translation is implemented in a compiler tool which is available as a web application. We finally demonstrate how to increase the expressivity of LBS-κ through embedded scripts in a general-purpose programming language, a technique which we view as generally applicable to other domain specific languages.

  2. High solids loading for water-based tape casting

    NASA Astrophysics Data System (ADS)

    Suwannasiri, Thitima

    71-73 vol% could be reached in an aqueous system for the size-modified powder, before binder addition. An emulsion binder (Duramaxsp{TM} B-1001) aided the reduction in viscosity of the high solids loading suspension, while the soluble binder aggravated the agglomeration and drastically raised the viscosity. The emulsion binder used also had high polymer content and, therefore, less water. The final solids loadings obtained were 55.7 vol% for A-16SG and 63 vol% for mixed A-152SG and A-16SG powder. The drying time was reduced by one third for the 63 vol% formulation compared to the 55.7 vol% formulation. Water-based tape casting of A1N was possible in a buffer solution. Polyacrylic acid, PAA (M.W. 1800), aided dispersion and also minimized hydrolysis of A1N in water. Poly(vinyl pyrrolidone), PVP (M.W. 160,000), gave a lower viscosity to suspension compared to poly(vinyl alcohol) and cellulose ether, and had less bubble formation. The suspension could be processed for more than 72 h without degradation. With optimization of dispersant and binder, a high solids loading formulation of 52 vol% could be obtained. When the organic components were burned out in the air, AlN with 3wt% Ysb2Osb3 could be sintered at 1800sp°C for 1 h without degradation. The thermal conductivity was up to 153 W/m.K.

  3. Ultra High-Speed Radio Frequency Switch Based on Photonics

    PubMed Central

    Ge, Jia; Fok, Mable P.

    2015-01-01

    Microwave switches, or Radio Frequency (RF) switches have been intensively used in microwave systems for signal routing. Compared with the fast development of microwave and wireless systems, RF switches have been underdeveloped particularly in terms of switching speed and operating bandwidth. In this paper, we propose a photonics based RF switch that is capable of switching at tens of picoseconds speed, which is hundreds of times faster than any existing RF switch technologies. The high-speed switching property is achieved with the use of a rapidly tunable microwave photonic filter with tens of gigahertz frequency tuning speed, where the tuning mechanism is based on the ultra-fast electro-optics Pockels effect. The RF switch has a wide operation bandwidth of 12 GHz and can go up to 40 GHz, depending on the bandwidth of the modulator used in the scheme. The proposed RF switch can either work as an ON/OFF switch or a two-channel switch, tens of picoseconds switching speed is experimentally observed for both type of switches. PMID:26608349

  4. Ultra High-Speed Radio Frequency Switch Based on Photonics.

    PubMed

    Ge, Jia; Fok, Mable P

    2015-11-26

    Microwave switches, or Radio Frequency (RF) switches have been intensively used in microwave systems for signal routing. Compared with the fast development of microwave and wireless systems, RF switches have been underdeveloped particularly in terms of switching speed and operating bandwidth. In this paper, we propose a photonics based RF switch that is capable of switching at tens of picoseconds speed, which is hundreds of times faster than any existing RF switch technologies. The high-speed switching property is achieved with the use of a rapidly tunable microwave photonic filter with tens of gigahertz frequency tuning speed, where the tuning mechanism is based on the ultra-fast electro-optics Pockels effect. The RF switch has a wide operation bandwidth of 12 GHz and can go up to 40 GHz, depending on the bandwidth of the modulator used in the scheme. The proposed RF switch can either work as an ON/OFF switch or a two-channel switch, tens of picoseconds switching speed is experimentally observed for both type of switches.

  5. High-level PC-based laser system modeling

    NASA Astrophysics Data System (ADS)

    Taylor, Michael S.

    1991-05-01

    Since the inception of the Strategic Defense Initiative (SDI) there have been a multitude of comparison studies done in an attempt to evaluate the effectiveness and relative sizes of complementary, and sometimes competitive, laser weapon systems. It became more and more apparent that what the systems analyst needed was not only a fast, but a cost effective way to perform high-level trade studies. In the present investigation, a general procedure is presented for the development of PC-based algorithmic systems models for laser systems. This procedure points out all of the major issues that should be addressed in the design and development of such a model. Issues addressed include defining the problem to be modeled, defining a strategy for development, and finally, effective use of the model once developed. Being a general procedure, it will allow a systems analyst to develop a model to meet specific needs. To illustrate this method of model development, a description of the Strategic Defense Simulation - Design To (SDS-DT) model developed and used by Science Applications International Corporation (SAIC) is presented. SDS-DT is a menu-driven, fast executing, PC-based program that can be used to either calculate performance, weight, volume, and cost values for a particular design or, alternatively, to run parametrics on particular system parameters to perhaps optimize a design.

  6. Optical high temperature sensor based on fiber Bragg grating

    NASA Astrophysics Data System (ADS)

    Zhang, Bowei

    The aim of this thesis is to fabricate a fiber Bragg grating (FBG) temperature sensor that is capable to measure temperatures in excess of 1100°C. For this purpose, two topics have been studied and investigated during this project. One of them is the development of a high temperature resistant molecular-water induced FBGs; and the other is to investigate the effect of microwave-irradiation on the hydrogen-loaded FBG. The molecular-water induced FBGs are different from the other types of FBG. In these devices the refractive index is modulated by the periodic changes of molecular-water concentration within the grating. The device was developed using thermal annealing technology based on hydrogen-load FBG. Thermal stability of these devices was studied by measuring the grating reflectivity from room temperature to 1000°C. The stability of the device was tested by examining the FBG reflectivity for a period of time at certain temperatures. The results show that these devices are extremely stable at temperatures in excess of 1000°C. The hydroxyl concentration in the grating has been also investigated during this thesis. Based on the knowledge of hydroxyl groups inside FBG, a microwave treatment was designed to increase the hydroxyl concentration in the FBG area. The results show that the molecular-water induced grating, which was fabricated using microwave radiated hydrogen-loaded FBI, are stable at temperatures above 1100°C.

  7. A batteryless temperature sensor based on high temperature sensitive material

    NASA Astrophysics Data System (ADS)

    Bakkali, Asma; Pelegri-Sebastia, José; Laghmich, Youssef; Lyhyaoui, Abdelouahid

    2016-05-01

    The major challenge in wireless sensor networks is the reduction of energy consumption. Passive wireless sensor network is an attractive solution for measuring physical parameters in harsh environment for large range of applications requiring sensing devices with low cost of fabrication, small size and long term measurement stability. Batteryless temperature sensing techniques are an active research field. The approach developed in our work holds a promising future for temperature sensor applications in order to successfully reduce the energy consumption. The temperature sensor presented in this paper is based on the electromagnetic transduction principle using the integration of the high temperature sensitive material into a passive structure. Variation in temperature makes the dielectric constant of this material changing, and such modification induces variation in the resonant frequencies of high-Q whispering-gallery modes (WGM) in the millimeter-wave frequency range. Following the results achieved, the proposed device shows a linear response to the increasing temperature and these variations can be remotely detected from a radar interrogation. Contribution to the topical issue "Materials for Energy Harvesting, Conversion and Storage (ICOME 2015) - Elected submissions", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

  8. Novel fiber-MOPA-based high power blue laser

    NASA Astrophysics Data System (ADS)

    Engin, Doruk; Fouron, Jean-Luc; Chen, Youming; Huffman, Andromeda; Fitzpatrick, Fran; Burnham, Ralph; Gupta, Shantanu

    2012-06-01

    5W peak power at 911 nm is demonstrated with a pulsed Neodymium (Nd) doped fiber master oscillator power amplifier (MOPA). This result is the first reported high gain (16dB) fiber amplifier operation at 911nm. Pulse repetition frequency (PRF) and duty-cycle dependence of the all fiber system is characterized. Negligible performance degreadation is observed down to 1% duty cycle and 10 kHz PRF, where 2.5μJ of pulse energy is achieved. Continuous wave (CW) MOPA experiments achieved 55mW average power and 9dB gain with 15% optical to optical (o-o) efficiency. Excellent agreement is established between dynammic fiber MOPA simulation tool and experimental results in predicting output amplified spontaneous emission (ase) and signal pulse shapes. Using the simulation tool robust Stimulated Brillion Scattering (SBS) free operation is predicted out of a two stage all fiber system that generates over 10W's of peak power with 500 MHz line-width. An all fiber 911 nm pulsed laser source with >10W of peak power is expected to increase reliability and reduce complexity of high energy 455 nm laser system based on optical parametric amplification for udnerwater applications. The views expressed are thos of the author and do not reflect the official policy or position of the Department of Defense or the U.S. Government.

  9. Highly efficient molybdenum-based catalysts for enantioselective alkene metathesis

    PubMed Central

    Malcolmson, Steven J.; Meek, Simon J.; Sattely, Elizabeth S.; Schrock, Richard R.; Hoveyda, Amir H.

    2009-01-01

    Discovery of efficient catalysts is one of the most compelling objectives of modern chemistry. Chiral catalysts are in particularly high demand, as they facilitate synthesis of enantiomerically enriched small molecules that are critical to developments in medicine, biology and materials science1. Especially noteworthy are catalysts that promote—with otherwise inaccessible efficiency and selectivity levels—reactions demonstrated to be of great utility in chemical synthesis. Here we report a class of chiral catalysts that initiate alkene metathesis1 with very high efficiency and enantioselectivity. Such attributes arise from structural fluxionality of the chiral catalysts and the central role that enhanced electronic factors have in the catalytic cycle. The new catalysts have a stereogenic metal centre and carry only monodentate ligands; the molybdenum-based complexes are prepared stereoselectively by a ligand exchange process involving an enantiomerically pure aryloxide, a class of ligands scarcely used in enantioselective catalysis2,3. We demonstrate the application of the new catalysts in an enantioselective synthesis of the Aspidosperma alkaloid, quebrachamine, through an alkene metathesis reaction that cannot be promoted by any of the previously reported chiral catalysts. PMID:19011612

  10. High sensitivity, homogeneous particle-based immunoassay for thyrotropin (Multipact).

    PubMed

    Wilkins, T A; Brouwers, G; Mareschal, J C; Cambiaso, C L

    1988-09-01

    We describe the first homogeneous, nonradioactive, high-sensitivity assay for human thyrotropin (TSH). The assay is based on particle immunoassay techniques, wherein 800-nm particles form the basis for the immunochemistry, delivery, and the detection technologies, respectively. Our assay also is the first to involve the use of fragmented monoclonal antibodies (to eliminate serum interferences) covalently coupled to particles without loss of their binding properties. Assays are performed in a semiautomated mode with use of a new modular system (Multipact). Equilibrium is reached in less than 2 h. Precision profile, sensitivity, and clinical studies indicate that the assay is accurate, has good precision at low concentrations, and that detection-limit characteristics compare well with those of a leading commercial high-sensitivity immunoradiometric assay (IRMA) for TSH. Dilution characteristics were satisfactory down to the assay's detection limit for a range of clinical samples. Correlation studies vs a reference IRMA method yielded the regression equation, present method = 0.976 (IRMA) + 0.002 milli-int. unit/L (r = 0.98), for 223 samples with TSH concentrations in the range 0 to 30 milli-int. units/L. For 40 samples with TSH less than or equal to 1.0 milli-int. unit/L it was: present method = 0.94 (IRMA) + 0.005 milli-int. unit/L (r = 0.96). PMID:3416423

  11. High-frequency-link based power electronics in power systems

    NASA Astrophysics Data System (ADS)

    Sree, Hari

    Power quality has become a serious concern to many utility customers in recent times. Among the many power quality problems, voltage sags are one of the most common and most mischievous, affecting industrial and commercial customers. They are primarily caused by power system faults at the transmission and distribution level, and thus, are mostly unavoidable. Their effect depends on the equipment sensitivities to the magnitude and duration of these sags and each can cost an industry up to few million dollars. To counter these limitations, many solutions at the customer end have been proposed which include Constant Voltage Transformers (CVT's), UPS and line frequency transformer based Dynamic Voltage Restorer (DVR). These approaches have their respective limitations with regard to capabilities, size and cost. This research proposes a new approach to mitigating these voltage sags involving the use of high frequency transformer link. Suitable switching logic and control strategies have been implemented. The proposed approach in a one-phase application is verified with computer simulations and by a hardware proof-of-concept prototype. Application to three-phase system is verified through simulations. Application of high frequency transformers in other utility applications such as active filters and static compensators is also looked at.

  12. Ni-based nanoalloys: Towards thermally stable highly magnetic materials

    SciTech Connect

    Palagin, Dennis Doye, Jonathan P. K.

    2014-12-07

    Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin states of the magnetic cores within Ni-based core-shell bimetallic nanoalloys over a wide range of temperatures. We show that, unlike the case of Ni–Al clusters, Ni–Ag clusters preserve high spin states (up to 8 μ{sub B} in case of Ni{sub 13}Ag{sub 32} cluster) due to small hybridization between the electronic levels of two species. Intriguingly, such clusters are also able to maintain geometrical and electronic integrity of their cores at temperatures up to 1000 K (e.g., for Ni{sub 7}Ag{sub 27} cluster). Furthermore, we also show the possibility of creating ordered arrays of such magnetic clusters on a suitable support by soft-landing pre-formed clusters on the surface, without introducing much disturbance in geometrical and electronic structure of the cluster. We illustrate this approach with the example of Ni{sub 13}Ag{sub 38} clusters adsorbed on the Si(111)–(7×7) surface, which, having two distinctive halves to the unit cell, acts as a selective template for cluster deposition.

  13. High level language-based robotic control system

    NASA Technical Reports Server (NTRS)

    Rodriguez, Guillermo (Inventor); Kreutz, Kenneth K. (Inventor); Jain, Abhinandan (Inventor)

    1996-01-01

    This invention is a robot control system based on a high level language implementing a spatial operator algebra. There are two high level languages included within the system. At the highest level, applications programs can be written in a robot-oriented applications language including broad operators such as MOVE and GRASP. The robot-oriented applications language statements are translated into statements in the spatial operator algebra language. Programming can also take place using the spatial operator algebra language. The statements in the spatial operator algebra language from either source are then translated into machine language statements for execution by a digital control computer. The system also includes the capability of executing the control code sequences in a simulation mode before actual execution to assure proper action at execution time. The robot's environment is checked as part of the process and dynamic reconfiguration is also possible. The languages and system allow the programming and control of multiple arms and the use of inward/outward spatial recursions in which every computational step can be related to a transformation from one point in the mechanical robot to another point to name two major advantages.

  14. High level language-based robotic control system

    NASA Technical Reports Server (NTRS)

    Rodriguez, Guillermo (Inventor); Kruetz, Kenneth K. (Inventor); Jain, Abhinandan (Inventor)

    1994-01-01

    This invention is a robot control system based on a high level language implementing a spatial operator algebra. There are two high level languages included within the system. At the highest level, applications programs can be written in a robot-oriented applications language including broad operators such as MOVE and GRASP. The robot-oriented applications language statements are translated into statements in the spatial operator algebra language. Programming can also take place using the spatial operator algebra language. The statements in the spatial operator algebra language from either source are then translated into machine language statements for execution by a digital control computer. The system also includes the capability of executing the control code sequences in a simulation mode before actual execution to assure proper action at execution time. The robot's environment is checked as part of the process and dynamic reconfiguration is also possible. The languages and system allow the programming and control of multiple arms and the use of inward/outward spatial recursions in which every computational step can be related to a transformation from one point in the mechanical robot to another point to name two major advantages.

  15. High reliability outdoor sonar prototype based on efficient signal coding.

    PubMed

    Alvarez, Fernando J; Ureña, Jesús; Mazo, Manuel; Hernández, Alvaro; García, Juan J; de Marziani, Carlos

    2006-10-01

    Many mobile robots and autonomous vehicles designed for outdoor operation have incorporated ultrasonic sensors in their navigation systems, whose function is mainly to avoid possible collisions with very close obstacles. The use of these systems in more precise tasks requires signal encoding and the incorporation of pulse compression techniques that have already been used with success in the design of high-performance indoor sonars. However, the transmission of ultrasonic encoded signals outdoors entails a new challenge because of the effects of atmospheric turbulence. This phenomenon causes random fluctuations in the phase and amplitude of traveling acoustic waves, a fact that can make the encoded signal completely unrecognizable by its matched receiver. Atmospheric turbulence is investigated in this work, with the aim of determining the conditions under which it is possible to assure the reliable outdoor operation of an ultrasonic pulse compression system. As a result of this analysis, a novel sonar prototype based on complementary sequences coding is developed and experimentally tested. This encoding scheme provides the system with very useful additional features, namely, high robustness to noise, multi-mode operation capability (simultaneous emissions with minimum cross talk interference), and the possibility of applying an efficient detection algorithm that notably decreases the hardware resource requirements.

  16. LSD-based analysis of high-resolution stellar spectra

    NASA Astrophysics Data System (ADS)

    Tsymbal, V.; Tkachenko, A.; Van, Reeth T.

    2014-11-01

    We present a generalization of the method of least-squares deconvolution (LSD), a powerful tool for extracting high S/N average line profiles from stellar spectra. The generalization of the method is effected by extending it towards the multiprofile LSD and by introducing the possibility to correct the line strengths from the initial mask. We illustrate the new approach by two examples: (a) the detection of astroseismic signatures from low S/N spectra of single stars, and (b) disentangling spectra of multiple stellar objects. The analysis is applied to spectra obtained with 2-m class telescopes in the course of spectroscopic ground-based support for space missions such as CoRoT and Kepler. Usually, rather high S/N is required, so smaller telescopes can only compete successfully with more advanced ones when one can apply a technique that enables a remarkable increase in the S/N of the spectra which they observe. Since the LSD profiles have a potential for reconstruction what is common in all the spectral profiles, it should have a particular practical application to faint stars observed with 2-m class telescopes and whose spectra show remarkable LPVs.

  17. Using problem based learning and guided inquiry in a high school acid-base chemistry unit

    NASA Astrophysics Data System (ADS)

    McKinley, Katie

    The purpose of this investigation was to determine if incorporating problem based learning and guided inquiry would improve student achievement in an acid base unit for high school chemistry. The activities and labs in the unit were modified to be centered around the problem of a fish kill that students investigated. Students also participated in guided inquiry labs to increase the amount of critical thinking and problem solving being done in the classroom. The hypothesis was that the implementation of problem based learning and guided inquiry would foster student learning. Students took a pre-test and post-test on questions covering the objectives of the acid base unit. These assessments were compared to determine the effectiveness of the unit. The results indicate that the unit was effective in increasing student performance on the unit test. This study also analyzed the process of problem based learning. Problem based learning can be an effective method of engaging students in inquiry. However, designing an effective problem based learning unit requires careful design of the problem and enough structure to assure students learn the intended content.

  18. A CMOS high speed imaging system design based on FPGA

    NASA Astrophysics Data System (ADS)

    Tang, Hong; Wang, Huawei; Cao, Jianzhong; Qiao, Mingrui

    2015-10-01

    CMOS sensors have more advantages than traditional CCD sensors. The imaging system based on CMOS has become a hot spot in research and development. In order to achieve the real-time data acquisition and high-speed transmission, we design a high-speed CMOS imaging system on account of FPGA. The core control chip of this system is XC6SL75T and we take advantages of CameraLink interface and AM41V4 CMOS image sensors to transmit and acquire image data. AM41V4 is a 4 Megapixel High speed 500 frames per second CMOS image sensor with global shutter and 4/3" optical format. The sensor uses column parallel A/D converters to digitize the images. The CameraLink interface adopts DS90CR287 and it can convert 28 bits of LVCMOS/LVTTL data into four LVDS data stream. The reflected light of objects is photographed by the CMOS detectors. CMOS sensors convert the light to electronic signals and then send them to FPGA. FPGA processes data it received and transmits them to upper computer which has acquisition cards through CameraLink interface configured as full models. Then PC will store, visualize and process images later. The structure and principle of the system are both explained in this paper and this paper introduces the hardware and software design of the system. FPGA introduces the driven clock of CMOS. The data in CMOS is converted to LVDS signals and then transmitted to the data acquisition cards. After simulation, the paper presents a row transfer timing sequence of CMOS. The system realized real-time image acquisition and external controls.

  19. Middle school-based and high school-based interventions for adolescents with ADHD.

    PubMed

    Evans, Steven W; Langberg, Joshua M; Egan, Theresa; Molitor, Stephen J

    2014-10-01

    The development and evaluation of psychosocial treatments for adolescents with attention-deficit/hyperactivity disorder has lagged behind the treatment development work conducted with children with the disorder. Two middle school-based and high school-based treatment programs have the most empirical work indicating beneficial effects. Treatment development research addressing many of the basic questions related to mediators, moderators, and sequencing of treatments is needed. Implications for future treatment development research are reviewed, including the potential benefits of combining treatments of a variety of modalities to address the large gaps in the literature. PMID:25220081

  20. GRCop-84: A High Temperature Copper-based Alloy For High Heat Flux Applications

    NASA Technical Reports Server (NTRS)

    Ellis, David L.

    2005-01-01

    While designed for rocket engine main combustion chamber liners, GRCop-84 (Cu-8 at.% Cr-4 at.% Nb) offers potential for high heat flux applications in industrial applications requiring a temperature capability up to approximately 700 C (1292 F). GRCop-84 is a copper-based alloy with excellent elevated temperature strength, good creep resistance, long LCF lives and enhanced oxidation resistance. It also has a lower thermal expansion than copper and many other low alloy copper-based alloys. GRCop-84 can be manufactured into a variety of shapes such as tubing, bar, plate and sheet using standard production techniques and requires no special production techniques. GRCop-84 forms well, so conventional fabrication methods including stamping and bending can be used. GRCop-84 has demonstrated an ability to be friction stir welded, brazed, inertia welded, diffusion bonded and electron beam welded for joining to itself and other materials. Potential applications include plastic injection molds, resistance welding electrodes and holders, permanent metal casting molds, vacuum plasma spray nozzles and high temperature heat exchanger applications.

  1. Energy-Based Tetrahedron Sensor for High-Temperature, High-Pressure Environments

    NASA Technical Reports Server (NTRS)

    Gee, Kent L.; Sommerfeldt, Scott D.; Blotter, Jonathan D.

    2012-01-01

    An acoustic energy-based probe has been developed that incorporates multiple acoustic sensing elements in order to obtain the acoustic pressure and three-dimensional acoustic particle velocity. With these quantities, the user can obtain various energy-based quantities, including acoustic energy density, acoustic intensity, and acoustic impedance. In this specific development, the probe has been designed to operate in an environment characterized by high temperatures and high pressures as is found in the close vicinity of rocket plumes. Given these capabilities, the probe is designed to be used to investigate the acoustic conditions within the plume of a rocket engine or jet engine to facilitate greater understanding of the noise generation mechanisms in those plumes. The probe features sensors mounted inside a solid sphere. The associated electronics for the probe are contained within the sphere and the associated handle for the probe. More importantly, the design of the probe has desirable properties that reduce the bias errors associated with determining the acoustic pressure and velocity using finite sum and difference techniques. The diameter of the probe dictates the lower and upper operating frequencies for the probe, where accurate measurements can be acquired. The current probe design implements a sphere diameter of 1 in. (2.5 cm), which limits the upper operating frequency to about 4.5 kHz. The sensors are operational up to much higher frequencies, and could be used to acquire pressure data at higher frequencies, but the energy-based measurements are limited to that upper frequency. Larger or smaller spherical probes could be designed to go to lower or higher frequency range

  2. High-Efficiency Nitride-Based Solid-State Lighting

    SciTech Connect

    Paul T. Fini; Shuji Nakamura

    2005-07-30

    In this final technical progress report we summarize research accomplished during Department of Energy contract DE-FC26-01NT41203, entitled ''High-Efficiency Nitride-Based Solid-State Lighting''. Two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and the Lighting Research Center at Rensselaer Polytechnic Institute (led by Dr. N. Narendran), pursued the goals of this contract from thin film growth, characterization, and packaging/luminaire design standpoints. The UCSB team initially pursued the development of blue gallium nitride (GaN)-based vertical-cavity surface-emitting lasers, as well as ultraviolet GaN-based light emitting diodes (LEDs). In Year 2, the emphasis shifted to resonant-cavity light emitting diodes, also known as micro-cavity LEDs when extremely thin device cavities are fabricated. These devices have very directional emission and higher light extraction efficiency than conventional LEDs. Via the optimization of thin-film growth and refinement of device processing, we decreased the total cavity thickness to less than 1 {micro}m, such that micro-cavity effects were clearly observed and a light extraction efficiency of over 10% was reached. We also began the development of photonic crystals for increased light extraction, in particular for so-called ''guided modes'' which would otherwise propagate laterally in the device and be re-absorbed. Finally, we pursued the growth of smooth, high-quality nonpolar a-plane and m-plane GaN films, as well as blue light emitting diodes on these novel films. Initial nonpolar LEDs showed the expected behavior of negligible peak wavelength shift with increasing drive current. M-plane LEDs in particular show promise, as unpackaged devices had unsaturated optical output power of {approx} 3 mW at 200 mA drive current. The LRC's tasks were aimed at developing the subcomponents necessary for packaging UCSB's light emitting diodes, and packaging them to produce a white

  3. A laser-based FAIMS detector for detection of ultra-low concentrations of explosives

    NASA Astrophysics Data System (ADS)

    Akmalov, Artem E.; Chistyakov, Alexander A.; Kotkovskii, Gennadii E.; Sychev, Alexey V.; Tugaenko, Anton V.; Bogdanov, Artem S.; Perederiy, Anatoly N.; Spitsyn, Eugene M.

    2014-06-01

    A non-contact method for analyzing of explosives traces from surfaces was developed. The method is based on the laser desorption of analyzed molecules from the surveyed surfaces followed by the laser ionization of air sample combined with the field asymmetric ion mobility spectrometry (FAIMS). The pulsed radiation of the fourth harmonic of a portable GSGG: Cr3+ :Nd3+ laser (λ = 266 nm) is used. The laser desorption FAIMS analyzer have been developed. The detection limit of the analyzer equals 40 pg for TNT. The results of detection of trinitrotoluene (TNT), cyclotrimethylenetrinitramine (RDX) and cyclotetramethylenetetranitramine (HMX) are presented. It is shown that laser desorption of nitro-compounds from metals is accompanied by their surface decomposition. A method for detecting and analyzing of small concentrations of explosives in air based on the laser ionization and the FAIMS was developed. The method includes a highly efficient multipass optical scheme of the intracavity fourthharmonic generation of pulsed laser radiation (λ = 266 nm) and the field asymmetric ion mobility (FAIM) spectrometer disposed within a resonator. The ions formation and detection proceed inside a resonant cavity. The laser ion source based on the multi-passage of radiation at λ = 266 nm through the ionization region was elaborated. On the basis of the method the laser FAIMS analyzer has been created. The analyzer provides efficient detection of low concentrations of nitro-compounds in air and shows a detection limit of 10-14 - 10-15 g/cm3 both for RDX and TNT.

  4. Highly stable and sensitive glucose biosensor based on covalently assembled high density Au nanostructures.

    PubMed

    Si, Peng; Kannan, Palanisamy; Guo, Longhua; Son, Hungsun; Kim, Dong-Hwan

    2011-05-15

    We describe the development of a highly stable and sensitive glucose biosensor based on the nanohybrid materials derived from gold nanoparticles (AuNPs) and multi-walled carbon nanotubes (MWCNT). The biosensing platform was developed by using layer-by-layer (LBL) self-assembly of the nanohybrid materials and the enzyme glucose oxidase (GOx). A high density of AuNPs and MWCNT nanocomposite materials were constructed by alternate self assembly of thiol functionalized MWCNTs and AuNPs, followed by chemisoption of GOx. The surface morphology of multilayered AuNPs/MWCNT structure was characterized by field emission-scanning electron microscope (FE-SEM), and the surface coverage of AuNPs was investigated by cyclic voltammetry (CV), showing that 5 layers of assembly achieves the maximum particle density on electrode. The immobilization of GOx was monitored by electrochemical impedance spectroscopy (EIS). CV and amperometry methods were used to study the electrochemical oxidation of glucose at physiological pH 7.4. The Au electrode modified with five layers of AuNPs/MWCNT composites and GOx exhibited an excellent electrocatalytic activity towards oxidation of glucose, which presents a wide liner range from 20 μM to 10 mM, with a sensitivity of 19.27 μA mM(-1) cm(-2). The detection limit of present modified electrode was found to be 2.3 μM (S/N=3). In addition, the resulting biosensor showed a faster amperometric current response (within 3 s) and low apparent Michaelis-Menten constant (K(m)(app)). Our present study shows that the high density of AuNPs decorated MWCNT is a promising nanohybrid material for the construction of enzyme based electrochemical biosensors.

  5. Carbon Nanofiber-Based, High-Frequency, High-Q, Miniaturized Mechanical Resonators

    NASA Technical Reports Server (NTRS)

    Kaul, Anupama B.; Epp, Larry W.; Bagge, Leif

    2011-01-01

    High Q resonators are a critical component of stable, low-noise communication systems, radar, and precise timing applications such as atomic clocks. In electronic resonators based on Si integrated circuits, resistive losses increase as a result of the continued reduction in device dimensions, which decreases their Q values. On the other hand, due to the mechanical construct of bulk acoustic wave (BAW) and surface acoustic wave (SAW) resonators, such loss mechanisms are absent, enabling higher Q-values for both BAW and SAW resonators compared to their electronic counterparts. The other advantages of mechanical resonators are their inherently higher radiation tolerance, a factor that makes them attractive for NASA s extreme environment planetary missions, for example to the Jovian environments where the radiation doses are at hostile levels. Despite these advantages, both BAW and SAW resonators suffer from low resonant frequencies and they are also physically large, which precludes their integration into miniaturized electronic systems. Because there is a need to move the resonant frequency of oscillators to the order of gigahertz, new technologies and materials are being investigated that will make performance at those frequencies attainable. By moving to nanoscale structures, in this case vertically oriented, cantilevered carbon nanotubes (CNTs), that have larger aspect ratios (length/thickness) and extremely high elastic moduli, it is possible to overcome the two disadvantages of both bulk acoustic wave (BAW) and surface acoustic wave (SAW) resonators. Nano-electro-mechanical systems (NEMS) that utilize high aspect ratio nanomaterials exhibiting high elastic moduli (e.g., carbon-based nanomaterials) benefit from high Qs, operate at high frequency, and have small force constants that translate to high responsivity that results in improved sensitivity, lower power consumption, and im - proved tunablity. NEMS resonators have recently been demonstrated using topdown

  6. High temperature probe sensor with high sensitivity based on Michelson interferometer

    NASA Astrophysics Data System (ADS)

    Zhao, Na; Fu, Haiwei; Shao, Min; Yan, Xu; Li, Huidong; Liu, Qinpeng; Gao, Hong; Liu, Yinggang; Qiao, Xueguang

    2015-05-01

    A novel Michelson interferometer based on a bi-taper is achieved. Such a device is fabricated by splicing a section of thin core fiber (TCF) at one end of single-mode fiber (SMF). Due to the fiber bi-taper at the splicing point of SMF and TCF, the light is coupled into the fiber core and cladding from lead in fiber core. The light will be reflected at the end of the fiber and then will be recoupled back into the lead out fiber core by the fiber bi-taper. While the light returns back to the lead out fiber, the intermodal interference will occur for the optical path difference between core mode and cladding mode. A high temperature sensitivity of 0.140 nm/°C is achieved from 30 to 800 °C, and the linearity is 99.9%. The configuration features the advantages of easy fabrication, a compact size, high sensitivity, wide sensing range and high mechanical strength, making it a good candidate for distant temperature sensing and oil prospecting.

  7. High energy sodium based room temperature flow batteries

    NASA Astrophysics Data System (ADS)

    Shamie, Jack

    As novel energy sources such as solar, wind and tidal energies are explored it becomes necessary to build energy storage facilities to load level the intermittent nature of these energy sources. Energy storage is achieved by converting electrical energy into another form of energy. Batteries have many properties that are attractive for energy storage including high energy and power. Among many different types of batteries, redox flow batteries (RFBs) offer many advantages. Unlike conventional batteries, RFBs store energy in a liquid medium rather than solid active materials. This method of storage allows for the separation of energy and power unlike conventional batteries. Additionally flow batteries may have long lifetimes because there is no expansion or contraction of electrodes. A major disadvantage of RFB's is its lower energy density when compared to traditional batteries. In this Thesis, a novel hybrid Na-based redox flow battery (HNFB) is explored, which utilizes a room temperature molten sodium based anode, a sodium ion conducting solid electrolyte and liquid catholytes. The sodium electrode leads to high voltages and energy and allows for the possibility of multi-electron transfer per molecule. Vanadium acetylacetonate (acac) and TEMPO have been investigated for their use as catholytes. In the vanadium system, 2 electrons transfers per vanadium atom were found leading to a doubling of capacity. In addition, degradation of the charged state was found to be reversible within the voltage range of the cell. Contamination by water leads to the formation of vanadyl acetylacetonate. Although it is believed that vanadyl complex need to be taken to low voltages to be reduced back to vanadium acac, a new mechanism is shown that begins at higher voltages (2.1V). Vanadyl complexes react with excess ligand and protons to reform the vanadium complex. During this reaction, water is reformed leading to the continuous cycle in which vanadyl is formed and then reduced back

  8. A Simulation Base Investigation of High Latency Space Systems Operations

    NASA Technical Reports Server (NTRS)

    Li, Zu Qun; Crues, Edwin Z.; Bielski, Paul; Moore, Michael

    2017-01-01

    NASA's human space program has developed considerable experience with near Earth space operations. Although NASA has experience with deep space robotic missions, NASA has little substantive experience with human deep space operations. Even in the Apollo program, the missions lasted only a few weeks and the communication latencies were on the order of seconds. Human missions beyond the relatively close confines of the Earth-Moon system will involve missions with durations measured in months and communications latencies measured in minutes. To minimize crew risk and to maximize mission success, NASA needs to develop a better understanding of the implications of these types of mission durations and communication latencies on vehicle design, mission design and flight controller interaction with the crew. To begin to address these needs, NASA performed a study using a physics-based subsystem simulation to investigate the interactions between spacecraft crew and a ground-based mission control center for vehicle subsystem operations across long communication delays. The simulation, built with a subsystem modeling tool developed at NASA's Johnson Space Center, models the life support system of a Mars transit vehicle. The simulation contains models of the cabin atmosphere and pressure control system, electrical power system, drinking and waste water systems, internal and external thermal control systems, and crew metabolic functions. The simulation has three interfaces: 1) a real-time crew interface that can be use to monitor and control the vehicle subsystems; 2) a mission control center interface with data transport delays up to 15 minutes each way; 3) a real-time simulation test conductor interface that can be use to insert subsystem malfunctions and observe the interactions between the crew, ground, and simulated vehicle. The study was conducted at the 21st NASA Extreme Environment Mission Operations (NEEMO) mission between July 18th and Aug 3rd of year 2016. The NEEMO

  9. High accuracy operon prediction method based on STRING database scores.

    PubMed

    Taboada, Blanca; Verde, Cristina; Merino, Enrique

    2010-07-01

    We present a simple and highly accurate computational method for operon prediction, based on intergenic distances and functional relationships between the protein products of contiguous genes, as defined by STRING database (Jensen,L.J., Kuhn,M., Stark,M., Chaffron,S., Creevey,C., Muller,J., Doerks,T., Julien,P., Roth,A., Simonovic,M. et al. (2009) STRING 8-a global view on proteins and their functional interactions in 630 organisms. Nucleic Acids Res., 37, D412-D416). These two parameters were used to train a neural network on a subset of experimentally characterized Escherichia coli and Bacillus subtilis operons. Our predictive model was successfully tested on the set of experimentally defined operons in E. coli and B. subtilis, with accuracies of 94.6 and 93.3%, respectively. As far as we know, these are the highest accuracies ever obtained for predicting bacterial operons. Furthermore, in order to evaluate the predictable accuracy of our model when using an organism's data set for the training procedure, and a different organism's data set for testing, we repeated the E. coli operon prediction analysis using a neural network trained with B. subtilis data, and a B. subtilis analysis using a neural network trained with E. coli data. Even for these cases, the accuracies reached with our method were outstandingly high, 91.5 and 93%, respectively. These results show the potential use of our method for accurately predicting the operons of any other organism. Our operon predictions for fully-sequenced genomes are available at http://operons.ibt.unam.mx/OperonPredictor/. PMID:20385580

  10. High resolution PFPE-based molding High resolution PFPE-based molding High resolution PFPE-based molding techniques for nanofabrication of high pattern density sub-20 nm features: A fundamental materials approach

    SciTech Connect

    Williams, Stuart S; Samulski, Edward; Lopez, Renee; Ruiz, Ricardo; DeSimone, Joseph; Retterer, Scott T

    2010-01-01

    ABSTRACT. Described herein is the development and investigation of PFPE-based elastomers for high resolution replica molding applications. The modulus of the elastomeric materials was increased through synthetic and additive approaches while maintaining relatively low surface energies (<25 mN/m). Using practically relevant large area master templates, we show that the resolution of the molds is strongly dependant upon the elastomeric mold modulus. A composite mold approach was used to form flexible molds out of stiff, high modulus materials that allow for replication of sub-20 nm post structures. Sub-100 nm line grating master templates, formed using e-beam lithography, were used to determine the experimental stability of the molding materials. It was observed that as the feature spacing decreased, high modulus composite molds were able to effectively replicate the nano-grating structures without cracking or tear-out defects that typically occur with high modulus elastomers.

  11. HIGH-EFFICIENCY NITRIDE-BASED SOLID-STATE LIGHTING

    SciTech Connect

    Dr. Paul T. Fini; Prof. Shuji Nakamura

    2002-04-30

    In this semiannual report we summarize the progress obtained in the first six months with the support of DoE contract No.DE-FC26-01NT41203, entitled ''High-Efficiency Nitride-Based Solid-State Lighting''. The two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and Rensselaer Polytechnic Institute (led by Dr. N. Narendran), are pursuing the goals of this contract from thin film growth, characterization, and packaging standpoints. The UCSB team has made significant progress in the development of GaN vertical cavity surface-emitting lasers (VCSELs) as well as light-emitting diodes (LEDs) with AlGaN active regions emitting in the ultraviolet (UV). The Rensselaer team has developed target specifications for some of the key parameters for the proposed solid-state lighting system, including a luminous flux requirement matrix for various lighting applications, optimal spectral power distributions, and the performance characteristics of currently available commercial LEDs for eventual comparisons to the devices developed in the scope of this project.

  12. Coarsening in high volume fraction nickel-base alloys

    NASA Technical Reports Server (NTRS)

    Mackay, R. A.; Nathal, M. V.

    1990-01-01

    The coarsening behavior of the gamma-prime precipitate has been examined in high volume fraction nickel-base alloys aged at elevated temperatures for times of up to 5000 h. Although the cube rate law was observed during coarsening, none of the presently available coarsening theories showed complete agreement with the experimental particle size distributions (PSDs). These discrepancies were thought to be due to elastic coherency strains which were not considered by the available models. Increasing the Mo content significantly influenced the PSDs and decreased the coarsening rate of the gamma-prime cubes, as a result of increasing the magnitude of the lattice mismatch. After extended aging times, the gamma-prime cubes underwent massive coalescence into plates at a rate which was much faster than the cuboidal coarsening rate. Once the gamma-prime plates were formed, further coarsening was not observed, and this stabilization of the microstructure was attributed to the development of dislocation networks at the gamma-gamma-prime interfaces.

  13. Axicon based conical resonators with high power copper vapor laser.

    PubMed

    Singh, Bijendra; Subramaniam, V V; Daultabad, S R; Chakraborty, Ashim

    2010-07-01

    We report for the first time the performance of axicon based conical resonators (ABCRs) in a copper vapor laser, with novel results. The unstable conical resonator comprising of conical mirror (reflecting axicon) with axicon angle approximately pi/18, cone angle approximately 160 degrees, and a convex mirror of 60 cm radius of curvature was effective in reducing the average beam divergence to approximately 0.15 mrad (approximately 25 fold reduction compared to standard multimode plane-plane cavity) with output power of approximately 31 W. Extraction efficiency of approximately 50%-60% and beam divergence of <1 mrad was achieved in other stable ABCR configurations using flat and concave mirrors with the axicon. This is a significant improvement compared to 4-5 mrad normally observed in conventional stable resonators in copper vapor lasers. The conical resonators with copper vapor laser provide high misalignment tolerance beta approximately 4-5 mrad where beta is the tilt angle of the conical mirror from optimum position responsible for approximately 20% decline in laser power. The depth of focus d was approximately three times larger in case of conical resonator as compared to that of standard spherical unstable resonator under similar beam divergence and focusing conditions. PMID:20687708

  14. HIGH-EFFICIENCY NITRIDE-BASED SOLID-STATE LIGHTING

    SciTech Connect

    Paul T. Fini; Shuji Nakamura

    2003-10-30

    In this second annual report we summarize the progress in the second-year period of Department of Energy contract DE-FC26-01NT41203, entitled ''High- Efficiency Nitride-Based Solid-State Lighting''. The two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and Rensselaer Polytechnic Institute (led by Dr. N. Narendran), are pursuing the goals of this contract from thin film growth, characterization, and packaging standpoints. The UCSB team has recently made significant progress in the development of light-emitting diodes (LEDs) with AlGaN active regions emitting in the ultraviolet (UV), resonant-cavity LEDs (RCLEDs), as well as lateral epitaxial overgrowth (LEO) techniques to obtain large-area non-polar GaN films with low average dislocation density. The Rensselaer team has benchmarked the performance of commercially available LED systems and has also conducted efforts to develop an optimized RCLED packaging scheme, including development of advanced epoxy encapsulant chemistries.

  15. HIGH-EFFICIENCY NITRIDE-BASED SOLID-STATE LIGHTING

    SciTech Connect

    Dr. Paul T. Fini; Prof. Shuji Nakamura

    2002-09-01

    In this annual report we summarize the progress obtained in the first year with the support of DoE contract No.DE-FC26-01NT41203, entitled ''High-Efficiency Nitride-Based Solid-State Lighting''. The two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and Rensselaer Polytechnic Institute (led by Dr. N. Narendran), are pursuing the goals of this contract from thin film growth, characterization, and packaging standpoints. The UCSB team has made significant progress in the development of GaN vertical cavity surface-emitting lasers (VCSELs) as well as light-emitting diodes (LEDs) with AlGaN active regions emitting in the ultraviolet (UV). The Rensselaer team has developed target specifications for some of the key parameters for the proposed solid-state lighting system, including a luminous flux requirement matrix for various lighting applications, optimal spectral power distributions, and the performance characteristics of currently available commercial LEDs for eventual comparisons to the devices developed in the scope of this project.

  16. Mars 1:500k high resolution map bases

    NASA Astrophysics Data System (ADS)

    Lee, E. M.; Edwards, K.; Grecu, A.; Redding, B.; Wasserman, A.; Bennett, A.

    1997-03-01

    The Mars 1:500k map bases are high-resolution black and white digital photomosaics generated to support the Mars Geologic Mapping Program. The Viking Orbiter images are used to map areas of scientific interest. The final products provided to the mapper include a cutline plot indicating image location and resolution, digital files, and a package consisting of a brownline, cronapaque, cronaflex, ozalid, and continuous tone photographic print. The mosaics are compiled by digital methods. The Planetary Imaging Cartography System (PICS) software, developed by the U.S. Geological Survey, was used to process the digital mosaics. The Integrated Software for Imaging Spectrometers (ISIS) software within the UNIX environment will be used starting this year to replace PICS. Currently, ISIS runs on SUN and Alpha platforms. The images are processed through reseau mark, and systematic and random noise artifact removal, radiometric correction, geometric control, and tone matching, to produce an even-toned controlled photomosaic. The maps are geometrically controlled to the Mars Digital Image Model and mosaicked at a resolution of 1024 pixels/deg or 58 m/pixel.

  17. High sensitivity gas sensor based on high-Q suspended polymer photonic crystal nanocavity

    SciTech Connect

    Clevenson, Hannah Desjardins, Pierre; Gan, Xuetao; Englund, Dirk

    2014-06-16

    We present high-sensitivity, multi-use optical gas sensors based on a one-dimensional photonic crystal cavity. These devices are implemented in versatile, flexible polymer materials which swell when in contact with a target gas, causing a measurable cavity length change. This change causes a shift in the cavity resonance, allowing precision measurements of gas concentration. We demonstrate suspended polymer nanocavity sensors and the recovery of sensors after the removal of stimulant gas from the system. With a measured quality factor exceeding 10{sup 4}, we show measurements of gas concentration as low as 600 parts per million (ppm) and an experimental sensitivity of 10 ppm; furthermore, we predict detection levels in the parts-per-billion range for a variety of gases.

  18. Dissolution kinetics of high explosives particles in a saturated sandy soil.

    PubMed

    Morley, Matthew C; Yamamoto, Hiroshi; Speitel, Gerald E; Clausen, Jay

    2006-05-30

    Solid phase high explosive (HE) residues from munitions detonation may be a persistent source of soil and groundwater contamination at military training ranges. Saturated soil column tests were conducted to observe the dissolution behavior of individual components (RDX, HMX, and TNT) from two HE formulations (Comp B and C4). HE particles dissolved readily, with higher velocities yielding higher dissolution rates, higher mass transfer coefficients, and lower effluent concentrations. Effluent concentrations were below solubility limits for all components at superficial velocities of 10-50 cm day(-1). Under continuous flow at 50 cm day(-1), RDX dissolution rates from Comp B and C4 were 34.6 and 97.6 microg h(-1) cm(-2) (based on initial RDX surface area), respectively, significantly lower than previously reported dissolution rates. Cycling between flow and no-flow conditions had a small effect on the dissolution rates and effluent concentrations; however, TNT dissolution from Comp B was enhanced under intermittent-flow conditions. A model that includes advection, dispersion, and film transfer resistance was developed to estimate the steady-state effluent concentrations.

  19. Operation mechanism of high performance organic permeable base transistors with an insulated and perforated base electrode

    NASA Astrophysics Data System (ADS)

    Kaschura, Felix; Fischer, Axel; Klinger, Markus P.; Doan, Duy Hai; Koprucki, Thomas; Glitzky, Annegret; Kasemann, Daniel; Widmer, Johannes; Leo, Karl

    2016-09-01

    The organic permeable base transistor is a vertical transistor architecture that enables high performance while maintaining a simple low-resolution fabrication. It has been argued that the charge transport through the nano-sized openings of the central base electrode limits the performance. Here, we demonstrate by using 3D drift-diffusion simulations that this is not the case in the relevant operation range. At low current densities, the applied base potential controls the number of charges that can pass through an opening and the opening is the current limiting factor. However, at higher current densities, charges accumulate within the openings and in front of the base insulation, allowing for an efficient lateral transport of charges towards the next opening. The on-state in the current-voltage characteristics reaches the maximum possible current given by space charge limited current transport through the intrinsic semiconductor layers. Thus, even a small effective area of the openings can drive huge current densities, and further device optimization has to focus on reducing the intrinsic layer thickness to a minimum.

  20. Ignition dynamics of high explosives

    SciTech Connect

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

    1999-04-01

    The laser ignition of the explosives HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, C{sub 4}H{sub 8}N{sub 8}O{sub 8}), {delta}-phase HMX, PBX 9501 (95% HMX, 2.5% Estane, 2.5% BDNPA/BDNPF), TATB (1,3,5-triamino-2,4,6-trinitrobenzene, C{sub 6}H{sub 6}N{sub 6}O{sub 6}), and PBX 9502 (95% TATB, 5% Kel-F) and aged PBX 9502 has been conducted with the intent to compare the relative sensitivities of those explosives and to investigate the effect of beam profile, binder addition, and porosity. It has been found that there was little difference between a gaussian beam and a top hat profile on the laser ignition of HMX. The authors observe that the addition of binder in the amounts present in PBX 9501 resulted in longer ignition delays than that of HMX. In contrast to HMX, the addition of binder to TATB in PBX 9502 shows no measurable effect. Porosity effects were considered by comparing the ignition of granular HMX and pressed HMX pellets. Porosity appears to increase ignition delay due to an increased effective absorption scale and increased convective heat loss. This porosity effect also resulted in longer ignition delays for {delta}-phase HMX than for {beta}-phase HMX. In order to simulate ignition in voids or cracks, the standard ignition experiment was modified to include a NaCl window placed at variable distances above the sample surface. When ignition experiments were performed at 29 W/cm{sup 2} and 38 W/cm{sup 2} a critical gap distance was observed of 6 {+-} 0.4 mm below which ignition was severely inhibited. This result underscores the importance of gas phase processes in ignition and illustrates that conditions can exist where simple ignition criteria such as surface temperature is inadequate.

  1. High-Efficiency Nitride-Base Photonic Crystal Light Sources

    SciTech Connect

    James Speck; Evelyn Hu; Claude Weisbuch; Yong-Seok Choi; Kelly McGroddy; Gregor Koblmuller; Elison Matioli; Elizabeth Rangel; Fabian Rol; Dobri Simeonov

    2010-01-31

    The research activities performed in the framework of this project represent a major breakthrough in the demonstration of Photonic Crystals (PhC) as a competitive technology for LEDs with high light extraction efficiency. The goals of the project were to explore the viable approaches to manufacturability of PhC LEDS through proven standard industrial processes, establish the limits of light extraction by various concepts of PhC LEDs, and determine the possible advantages of PhC LEDs over current and forthcoming LED extraction concepts. We have developed three very different geometries for PhC light extraction in LEDs. In addition, we have demonstrated reliable methods for their in-depth analysis allowing the extraction of important parameters such as light extraction efficiency, modal extraction length, directionality, internal and external quantum efficiency. The information gained allows better understanding of the physical processes and the effect of the design parameters on the light directionality and extraction efficiency. As a result, we produced LEDs with controllable emission directionality and a state of the art extraction efficiency that goes up to 94%. Those devices are based on embedded air-gap PhC - a novel technology concept developed in the framework of this project. They rely on a simple and planar fabrication process that is very interesting for industrial implementation due to its robustness and scalability. In fact, besides the additional patterning and regrowth steps, the process is identical as that for standard industrially used p-side-up LEDs. The final devices exhibit the same good electrical characteristics and high process yield as a series of test standard LEDs obtained in comparable conditions. Finally, the technology of embedded air-gap patterns (PhC) has significant potential in other related fields such as: increasing the optical mode interaction with the active region in semiconductor lasers; increasing the coupling of the incident

  2. An Internal ALD-Based High Voltage Divider and Signal Circuit for MCP-based Photodetectors

    SciTech Connect

    Adams, Bernhard W.; Elagin, Andrey; Elam, Jeffrey W.; Frisch, Henry J.; Genat, Jean-Francois; Gregar, Joseph S.; Mane, Anil U.; Minot, Michael J.; Northrup, Richard; Obaid, Razib; Oberla, Eric; Alexander, Vostrikov; Wetstein, Matthew

    2015-04-21

    We describe a pin-less design for the high voltage (HV) resistive divider of the all-glass LAPPD (TM) 8 in,square thin photodetector module. The divider, which distributes high voltage applied to the photocathode to the two micro-channel plates (MCPs) that constitute the amplification stage, is comprised of the two MCPs and three glass mechanical spacers, each of which is coated with a resistive layer using atomic layer deposition (ALD). The three glass grid spacers and the two MCPs form a continuous resistive path between cathode and anode, with the voltages across the MCPs and the spacers determined by the resistance of each. High voltage is applied on an external tab on the top glass window that connects to the photocathode through the metal seal. The DC ground is supplied by microstrips on the bottom glass plate that form the high-bandwidth anode. The microstrips exit the package through the glass-frit seal of the anode base-plate and the package sidewall. The divider is thus completely internal, with no HV pins penetrating the low-profile flat glass package. Measurements of the performance of the divider are presented for the 8 in.-square MCP and spacer package in a custom test fixture and for an assembled externally pumped LAPPD (TM) prototype with an aluminum photocathode. (C) 2015 Elsevier B.V. All rights reserved.

  3. An internal ALD-based high voltage divider and signal circuit for MCP-based photodetectors

    NASA Astrophysics Data System (ADS)

    Adams, Bernhard W.; Elagin, Andrey; Elam, Jeffrey W.; Frisch, Henry J.; Genat, Jean-Francois; Gregar, Joseph S.; Mane, Anil U.; Minot, Michael J.; Northrop, Richard; Obaid, Razib; Oberla, Eric; Vostrikov, Alexander; Wetstein, Matthew

    2015-04-01

    We describe a pin-less design for the high voltage (HV) resistive divider of the all-glass LAPPDTM 8 in.-square thin photodetector module. The divider, which distributes high voltage applied to the photocathode to the two micro-channel plates (MCPs) that constitute the amplification stage, is comprised of the two MCPs and three glass mechanical spacers, each of which is coated with a resistive layer using atomic layer deposition (ALD). The three glass grid spacers and the two MCPs form a continuous resistive path between cathode and anode, with the voltages across the MCPs and the spacers determined by the resistance of each. High voltage is applied on an external tab on the top glass window that connects to the photocathode through the metal seal. The DC ground is supplied by microstrips on the bottom glass plate that form the high-bandwidth anode. The microstrips exit the package through the glass-frit seal of the anode base-plate and the package sidewall. The divider is thus completely internal, with no HV pins penetrating the low-profile flat glass package. Measurements of the performance of the divider are presented for the 8 in.-square MCP and spacer package in a custom test fixture and for an assembled externally pumped LAPPDTM prototype with an aluminum photocathode.

  4. Ignition criterion for heterogeneous energetic materials based on hotspot size-temperature threshold

    NASA Astrophysics Data System (ADS)

    Barua, A.; Kim, S.; Horie, Y.; Zhou, M.

    2013-02-01

    A criterion for the ignition of granular explosives (GXs) and polymer-bonded explosives (PBXs) under shock and non-shock loading is developed. The formulation is based on integration of a quantification of the distributions of the sizes and locations of hotspots in loading events using a cohesive finite element method (CFEM) developed recently and the characterization by Tarver et al. [C. M. Tarver et al., "Critical conditions for impact- and shock-induced hot spots in solid explosives," J. Phys. Chem. 100, 5794-5799 (1996)] of the critical size-temperature threshold of hotspots required for chemical ignition of solid explosives. The criterion, along with the CFEM capability to quantify the thermal-mechanical behavior of GXs and PBXs, allows the critical impact velocity for ignition, time to ignition, and critical input energy at ignition to be determined as functions of material composition, microstructure, and loading conditions. The applicability of the relation between the critical input energy (E) and impact velocity of James [H. R. James, "An extension to the critical energy criterion used to predict shock initiation thresholds," Propellants, Explos., Pyrotech. 21, 8-13 (1996)] for shock loading is examined, leading to a modified interpretation, which is sensitive to microstructure and loading condition. As an application, numerical studies are undertaken to evaluate the ignition threshold of granular high melting point eXplosive, octahydro-1,3,5,7-tetranitro-1,2,3,5-tetrazocine (HMX) and HMX/Estane PBX under loading with impact velocities up to 350 ms-1 and strain rates up to 105 s-1. Results show that, for the GX, the time to criticality (tc) is strongly influenced by initial porosity, but is insensitive to grain size. Analyses also lead to a quantification of the differences between the responses of the GXs and PBXs in terms of critical impact velocity for ignition, time to ignition, and critical input energy at ignition. Since the framework permits

  5. Genetic algorithm based optimization of pulse profile for MOPA based high power fiber lasers

    NASA Astrophysics Data System (ADS)

    Zhang, Jiawei; Tang, Ming; Shi, Jun; Fu, Songnian; Li, Lihua; Liu, Ying; Cheng, Xueping; Liu, Jian; Shum, Ping

    2015-03-01

    Although the Master Oscillator Power-Amplifier (MOPA) based fiber laser has received much attention for laser marking process due to its large tunabilty of pulse duration (from 10ns to 1ms), repetition rate (100Hz to 500kHz), high peak power and extraordinary heat dissipating capability, the output pulse deformation due to the saturation effect of fiber amplifier is detrimental for many applications. We proposed and demonstrated that, by utilizing Genetic algorithm (GA) based optimization technique, the input pulse profile from the master oscillator (current-driven laser diode) could be conveniently optimized to achieve targeted output pulse shape according to real parameters' constraints. In this work, an Yb-doped high power fiber amplifier is considered and a 200ns square shaped pulse profile is the optimization target. Since the input pulse with longer leading edge and shorter trailing edge can compensate the saturation effect, linear, quadratic and cubic polynomial functions are used to describe the input pulse with limited number of unknowns(<5). Coefficients of the polynomial functions are the optimization objects. With reasonable cost and hardware limitations, the cubic input pulse with 4 coefficients is found to be the best as the output amplified pulse can achieve excellent flatness within the square shape. Considering the bandwidth constraint of practical electronics, we examined high-frequency component cut-off effect of input pulses and found that the optimized cubic input pulses with 300MHz bandwidth is still quite acceptable to satisfy the requirement for the amplified output pulse and it is feasible to establish such a pulse generator in real applications.

  6. A clocked high-pass-filter-based offset cancellation technique for high-gain biomedical amplifiers

    NASA Astrophysics Data System (ADS)

    Pal, Dipankar; Goswami, Manish

    2010-05-01

    In this article, a simple offset cancellation technique based on a clocked high-pass filter with extremely low output offset is presented. The configuration uses the on-resistance of a complementary metal oxide semiconductor (CMOS) transmission gate (X-gate) and tunes the lower 3-dB cut-off frequency with a matched pair of floating capacitors. The results compare favourably with the more complex auto-zeroing and chopper stabilisation techniques of offset cancellation in terms of power dissipation, component count and bandwidth, while reporting inferior output noise performance. The design is suitable for use in biomedical amplifier systems for applications such as ENG-recording. The system is simulated in Spectre Cadence 5.1.41 using 0.6 μm CMOS technology and the total block gain is ∼83.0 dB while the phase error is <5°. The power consumption is 10.2 mW and the output offset obtained for an input monotone signal of 5 μVpp is 1.28 μV. The input-referred root mean square noise voltage between 1 and 5 kHz is 26.32 nV/√Hz.

  7. High-resolution ground-based spectroscopy: where and how ?

    NASA Astrophysics Data System (ADS)

    Pallavicini, R.

    2002-07-01

    An overview is presented of high-resolution optical spectrographs in operation or under development at large telescopes, with emphasis on those facilities best suited for the study of late-type stars and stellar surface inhomogeneities. Plans for the development of new high-resolution spectroscopic instruments are discussed with emphasis on the ICE spectrograph for the PEPSI spectropolarimeter at the LBT.

  8. Biodegradation of high explosives on granular activated carbon [GAC]: Enhanced desorption of high explosives from GAC -- Batch studies

    SciTech Connect

    Morley, M.C.; Speitel, G.E. Jr.

    1999-03-01

    Adsorption to GAC is an effective method for removing high explosives (HE) compounds from water, but no permanent treatment is achieved. Bioregeneration, which treats adsorbed contaminants by desorption and biodegradation, is being developed as a method for reducing GAC usage rates and permanently degrading RDX and HMX. Because desorption is often the limiting mass transfer mechanism in bioregeneration systems, several methods for increasing the rate and extent of desorption of RDX and HMX are being studied. These include use of cosolvents (methanol and ethanol), surfactants (both anionic and nonionic), and {beta}- and {gamma}-cyclodextrins. Batch experiments to characterize the desorption of these HEs from GAC have been completed using Northwestern LB-830, the GAC being used at Pantex. Over a total of 11 days of desorption, about 3% of the adsorbed RDX was desorbed from the GAC using buffered water as the desorption fluid. In comparison, about 96% of the RDX was extracted from the GAC by acetonitrile over the same desorption period. Ethanol and methanol were both effective in desorbing RDX and HMX; higher alcohol concentrations were able to desorb more HE from the GAC. Surfactants varied widely in their abilities to enhance desorption of HEs. The most effective surfactant that was studied was sodium dodecyl sulfate (SDS), which desorbed 56.4% of the adsorbed RDX at a concentration of 500 mg SDS/L. The cyclodextrins that were used were marginally more effective than water. Continuous-flow column tests are underway for further testing the most promising of these methods. These results will be compared to column experiments that have been completed under baseline conditions (using buffered water as the desorption fluid). Results of this research will support modeling and design of further desorption and bioregeneration experiments.

  9. Advancing the Technology Base for High Temperature Hydrogen Membranes

    SciTech Connect

    Dye, Robert C.; Moss, Thomas S.

    1997-12-31

    High purity hydrogen is a critical component for at least two major industrial processes: 1) the refining of conventional steels and raw pig iron into low carbon steels and high purity iron used for high performance magnets in motors, generators, alternators, transformers, and etc.; and 2) refining metallurgical grade silicon to the high- purity, polycrystalline silicon used in fabricating single crystal silicon wafers for semiconductor manufacturing. In the process of producing low carbon iron products, CO and CO2 impurities prevent efficient removal of the carbon already in the raw iron. In the refining of metallurgical grade silicon, the presence of any impurity above the part-per- million level prevents the ultimate fabrication of the large scale single crystals that are essential to the semiconductor device. In a lesser magnitude role, high quality hydrogen is used in a variety of other processes, including specialty metals refining (e.g., iridium, osmium, palladium, platinum, and ruthenium) and R{ampersand}D in areas such as organic synthesis and development of certain types of fuel cells. In all of these applications, a high-temperature hydrogen membrane can provide a method for achieving a very high purity level of hydrogen in a manner that is more economical and/or more rugged than existing techniques.

  10. Highly sensitive methods for electroanalytical chemistry based on nanotubule membranes.

    PubMed

    Kobayashi, Y; Martin, C R

    1999-09-01

    Two new methods of electroanalysis are described. These methods are based on membranes containing monodisperse Au nanotubules with inside diameters approaching molecular dimensions. In one method, the analyte species is detected by measuring the change in trans-membrane current when the analyte is added to the nanotubule-based cell. The second method entails the use of a concentration cell based on the nanotubule membrane. In this case, the change in membrane potential is used to detect the analyte. Detection limits as low as 10(-11) M have been achieved. Hence, these methods compete with even the most sensitive of modern analytical methodologies. In addition, excellent molecular-sized-based selectivity is observed.

  11. Estimator Based Controller for High Speed Flywheel Magnetic Bearing System

    NASA Technical Reports Server (NTRS)

    Dever, Timothy P.; Brown, Gerald V.; Jansen, Ralph H.

    2002-01-01

    A flywheel system and its operator interface are described. Measurements of magnetic bearing negative stiffness are performed. Two digital magnetic bearing control algorithms (PD and estimator based) are defined and their implementations are described. Tuning of each controller is discussed. Comparison of the two controllers' stability, damping noise, and operating current are described. Results describing the superiority of the estimator-based controller are presented and discussed.

  12. Design of high speed camera based on CMOS technology

    NASA Astrophysics Data System (ADS)

    Park, Sei-Hun; An, Jun-Sick; Oh, Tae-Seok; Kim, Il-Hwan

    2007-12-01

    The capacity of a high speed camera in taking high speed images has been evaluated using CMOS image sensors. There are 2 types of image sensors, namely, CCD and CMOS sensors. CMOS sensor consumes less power than CCD sensor and can take images more rapidly. High speed camera with built-in CMOS sensor is widely used in vehicle crash tests and airbag controls, golf training aids, and in bullet direction measurement in the military. The High Speed Camera System made in this study has the following components: CMOS image sensor that can take about 500 frames per second at a resolution of 1280*1024; FPGA and DDR2 memory that control the image sensor and save images; Camera Link Module that transmits saved data to PC; and RS-422 communication function that enables control of the camera from a PC.

  13. Fast-melting tablets based on highly plastic granules.

    PubMed

    Fu, Yourong; Jeong, Seong Hoon; Park, Kinam

    2005-12-01

    Highly plastic granules that can be compressed into tablets at low pressure were developed to make fast-melting tablets (FMTs) by compression method. The highly plastic granules are composed of three components: a plastic material, a material enhancing water penetration, and a wet binder. One of the unique properties of the highly plastic granules is that they maintain a porous structure even after compression into tablets. The porous and plastic nature of the granules allows fast absorption of water into the compressed tablet for fast melting/dissolution of the tablet. The prepared tablets possess tablet strength and friability that are suitable for multi-tablet packages. The three-component highly plastic granules provide an effective way of making FMTs by compression.

  14. Alloys based on NiAl for high temperature applications

    NASA Technical Reports Server (NTRS)

    Vedula, K. M.; Pathare, V.; Aslanidis, I.; Titran, R. H.

    1984-01-01

    The NiAl alloys for potential high temperature applications were studied. Alloys were prepared by powder metallurgy techniques. Flow stress values at slow strain rates and high temperatures were measured. Some ternary alloying additions (Hf, Ta and Nb) were identified. The mechanism of strengthening in alloys containing these additions appears to be a form of particle dislocation interaction. The effects of grain size and stoichiometry in binary alloys are also presented.

  15. Development and application of high strength ternary boride base cermets

    SciTech Connect

    Takagi, Ken-ichi . E-mail: u4381@toyokohan.co.jp

    2006-09-15

    Reaction boronizing sintering is a novel strategy to form a ternary boride coexisting with a metal matrix in a cermet during liquid phase sintering. This new sintering technique has successfully developed world first ternary boride base cermets with excellent mechanical properties such as Mo{sub 2}FeB{sub 2}, Mo{sub 2}NiB{sub 2} and WCoB base ones. In these cermets Mo{sub 2}FeB{sub 2} and Mo{sub 2}NiB{sub 2} base ones consist of a tetragonal M {sub 3}B{sub 2} (M: metal)-type complex boride as a hard phase and a transition metal base matrix. The cermets have already been applied to wear resistant applications such as injection molding machine parts, can making tools, and hot copper extruding dies, etc. This paper focuses on the characteristics, effects of the additional elements on the mechanical properties and structure, and practical applications of the ternary boride base cermets. - Graphical abstract: TRS and hardness of Ni-5B-51Mo-17.5Cr and Ni-5B-51Mo-12.5Cr-5V-xMn mass% cermets as functions of Mn content (Fig. 17)

  16. Field-based high-speed imaging of explosive eruptions

    NASA Astrophysics Data System (ADS)

    Taddeucci, J.; Scarlato, P.; Freda, C.; Moroni, M.

    2012-12-01

    Explosive eruptions involve, by definition, physical processes that are highly dynamic over short time scales. Capturing and parameterizing such processes is a major task in eruption understanding and forecasting, and a task that necessarily requires observational systems capable of high sampling rates. Seismic and acoustic networks are a prime tool for high-frequency observation of eruption, recently joined by Doppler radar and electric sensors. In comparison with the above monitoring systems, imaging techniques provide more complete and direct information of surface processes, but usually at a lower sampling rate. However, recent developments in high-speed imaging systems now allow such information to be obtained with a spatial and temporal resolution suitable for the analysis of several key eruption processes. Our most recent set up for high-speed imaging of explosive eruptions (FAMoUS - FAst, MUltiparametric Set-up,) includes: 1) a monochrome high speed camera, capable of 500 frames per second (fps) at high-definition (1280x1024 pixel) resolution and up to 200000 fps at reduced resolution; 2) a thermal camera capable of 50-200 fps at 480-120x640 pixel resolution; and 3) two acoustic to infrasonic sensors. All instruments are time-synchronized via a data logging system, a hand- or software-operated trigger, and via GPS, allowing signals from other instruments or networks to be directly recorded by the same logging unit or to be readily synchronized for comparison. FAMoUS weights less than 20 kg, easily fits into four, hand-luggage-sized backpacks, and can be deployed in less than 20' (and removed in less than 2', if needed). So far, explosive eruptions have been recorded in high-speed at several active volcanoes, including Fuego and Santiaguito (Guatemala), Stromboli (Italy), Yasur (Vanuatu), and Eyjafiallajokull (Iceland). Image processing and analysis from these eruptions helped illuminate several eruptive processes, including: 1) Pyroclasts ejection. High

  17. High-throughput physically based approach for mammalian cell encapsulation

    NASA Astrophysics Data System (ADS)

    Yu, Jiashing; Wu, Po-Chen; Huang, Chi-Hui; Yang, Chung-Yao; Cheng, Chao-Min

    2013-10-01

    Herein, we wish to tear down the traditional boundaries between physics and life sciences by demonstrating a physically based, flow-focusing method to encapsulate mammalian cells into alginate-based microspheres in a very short period of time. We paid particular attention to the physical properties of the alginate solution as it was critical to create a physiologically relevant environment within the alginate microspheres. The cells we cultured when re-culturing them on Petri dishes could still be maintained for at least 4 days after microsphere encapsulation. We believe that this study would provide interesting insight in biophysics, polymer physics, and applied physics.

  18. Integrated polarizers based on tapered highly birefringent photonic crystal fibers.

    PubMed

    Romagnoli, Priscila; Biazoli, Claudecir R; Franco, Marcos A R; Cordeiro, Cristiano M B; de Matos, Christiano J S

    2014-07-28

    This paper proposes and demonstrates the creation of sections with a high polarization dependent loss (PDL) in a commercial highly birefringent (polarization maintaining) photonic crystal fiber (PCF), via tapering with pressure applied to the holes. The tapers had a 1-cm-long uniform section with a 66% scale reduction, in which the original microstructure aspect ratio was kept by the pressure application. The resulting waveguides show polarizing action across the entire tested wavelength range, 1510-1600 nm, with a peak PDL of 35.3 dB/cm (c.f. ~1 dB/cm for a typical commercial polarizing fiber). The resulting structure, as well as its production, is extremely simple, and enable a small section with a high PDL to be obtained in a polarization maintaining PCF, meaning that the polarization axes in the polarizing and polarization maintaining sections are automatically aligned. PMID:25089397

  19. A High Temperature Electrochemical Energy Storage System Based on Sodium Beta-Alumina Solid Electrolyte (Base)

    SciTech Connect

    Anil Virkar

    2008-03-31

    This report summarizes the work done during the period September 1, 2005 and March 31, 2008. Work was conducted in the following areas: (1) Fabrication of sodium beta{double_prime} alumina solid electrolyte (BASE) using a vapor phase process. (2) Mechanistic studies on the conversion of {alpha}-alumina + zirconia into beta{double_prime}-alumina + zirconia by the vapor phase process. (3) Characterization of BASE by X-ray diffraction, SEM, and conductivity measurements. (4) Design, construction and electrochemical testing of a symmetric cell containing BASE as the electrolyte and NaCl + ZnCl{sub 2} as the electrodes. (5) Design, construction, and electrochemical evaluation of Na/BASE/ZnCl{sub 2} electrochemical cells. (6) Stability studies in ZnCl{sub 2}, SnCl{sub 2}, and SnI{sub 4} (7) Design, assembly and testing of planar stacks. (8) Investigation of the effect of porous surface layers on BASE on cell resistance. The conventional process for the fabrication of sodium ion conducting beta{double_prime}-alumina involves calcination of {alpha}-alumina + Na{sub 2}CO{sub 3} + LiNO{sub 3} at 1250 C, followed by sintering powder compacts in sealed containers (platinum or MgO) at {approx}1600 C. The novel vapor phase process involves first sintering a mixture of {alpha}-alumina + yttria-stabilized zirconia (YSZ) into a dense ceramic followed by exposure to soda vapor at {approx}1450 C to convert {alpha}-alumina into beta{double_prime}-alumina. The vapor phase process leads to a high strength BASE, which is also resistant to moisture attack, unlike BASE made by the conventional process. The PI is the lead inventor of the process. Discs and tubes of BASE were fabricated in the present work. In the conventional process, sintering of BASE is accomplished by a transient liquid phase mechanism wherein the liquid phase contains NaAlO{sub 2}. Some NaAlO{sub 2} continues to remain at grain boundaries; and is the root cause of its water sensitivity. In the vapor phase process, Na

  20. A MEMS-based high frequency x-ray chopper.

    PubMed

    Siria, A; Dhez, O; Schwartz, W; Torricelli, G; Comin, F; Chevrier, J

    2009-04-29

    Time-resolved x-ray experiments require intensity modulation at high frequencies (advanced rotating choppers have nowadays reached the kHz range). We here demonstrate that a silicon microlever oscillating at 13 kHz with nanometric amplitude can be used as a high frequency x-ray chopper. We claim that using micro-and nanoelectromechanical systems (MEMS and NEMS), it will be possible to achieve higher frequencies in excess of hundreds of megahertz. Working at such a frequency can open a wealth of possibilities in chemistry, biology and physics time-resolved experiments.