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Sample records for hmx based high

  1. Synthesis and Characterization of High Energy Sheet Materials Based on HMX / RDX and Hydroxyl Terminated Polybutadiene

    NASA Astrophysics Data System (ADS)

    Elsharkawy, Karim; Guo, Lin; Taha, Elhussein; Fouda, Hany

    2017-07-01

    In this paper three types of thin sheets of highly energetic materials were prepared and characterized. The first based on 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). The second type based on 1,3,5-trinitro-1,3,5-triazinane (RDX). Both types contain polyurethane (PU), formulated by hydroxyl terminated polybutadiene (HTPB) and Isophorondiisocyanate (IPDI). The third type based on (RDX) and polyisoprene (PI) as high elastomeric material. The first and second types of thin sheets were prepared by applying the casting technique while the third type was prepared by slurry technique then followed by rolling of the prepared beads of the RDX coated by PI. These high energy sheet materials were cured in oven at 60°C. The measured explosive properties of the prepared sheets were discussed and showed that the sensitivity to impact and friction of the prepared sheets explosives materials were markedly decreased when compared to pure HMX or pure RDX, but the sensitivity to heat was close to that of pure RDX. In spite of the markedly decrease in the sensitivity of these sheets, the explosive characteristics were nearly not affected the sheets have very good stress-strain values.

  2. High-strain rate testing of HMX-based explosive

    NASA Astrophysics Data System (ADS)

    John, Henry J.; Alamo, Mike F.

    2000-04-01

    A split Hopkinson pressure bar (SHPB) was used to measure the mechanical behavior of Navy explosive PBXC-129 (a high-solids-loaded explosive material) with strain rates up to ˜3500 s-1. The PBXC-129's high-strain response is typical of other explosive and propellant behavior. At higher strain rates, the PBXC-129 shows significant stiffening with a possible reaction. Stress-strain curves and material properties for PBXC-129 are presented in this paper.

  3. 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.

  4. 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

    2007-05-08

    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.

  5. 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.

  6. 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.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

    Cook, Malcolm; Wood, Andrew; Ottley, Philip; Cheese, Phil

    2013-06-01

    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 high-speed video. 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. This work was undertaken as part of the MOD funded UK-Energetics research programme.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Quantum chemistry based force field for simulations of HMX

    SciTech Connect

    Smith, G.D.; Bharadwaj, R.K.

    1999-05-06

    The molecular geometries and conformational energies of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 1,3-dimethyl-1,3-dinitro methyldiamine (DDMD) and have been determined from high-level quantum chemistry calculations and have been used in parametrizing a classical potential function for simulations of HMX. Geometry optimizations for HMX and DDMD and rotational energy barrier searches for DDMD were performed at the B3LYP/6-311G** level, with subsequent single-point energy calculations at the MP2/6-311G** level. Four unique low-energy conformers were found for HMX, two whose conformational geometries correspond closely to those found in HMX polymorphs from crystallographic studies and two additional, lower energy conformers that are not seen in the crystalline phases. For DDMD, three unique low-energy conformers, and the rotational energy barriers between them, were located. In parametrizing the classical potential function for HMX, nonbonded repulsion/dispersion parameters, valence parameters, and parameters describing nitro group rotation and out-of-plane distortion at the amine nitrogen were taken from the previous studies of dimethylnitramine. Polar effects in HMX and DDMD were represented by sets of partial atomic charges that reproduce the electrostatic potential and dipole moments for the low-energy conformers of these molecules as determined from the quantum chemistry wave functions. Parameters describing conformational energetics for the C-N-C-N dihedrals were determined by fitting the classical potential function to reproduce relative conformational energies in HMX as found from quantum chemistry. The resulting potential was found to give a good representation of the conformer geometries and relative conformer energies in HMX and a reasonable description of the low-energy conformers and rotational energy barriers in DDMD.

  15. Elucidation of high sensitivity of δ-HMX: New insight from first principles simulations

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

    Understanding of a significant difference in sensitivities of β and δ phases of cyclotetramethylene-tetranitramine (HMX) has been long one of the 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 unclear. 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 quantum-chemical analysis of decomposition mechanisms in polar δ-HMX and nonpolar β-HMX discovered a considerable 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Increasing Fe0-mediated HMX destruction in highly contaminated soil with didecyldimethylammonium bromide surfactant.

    PubMed

    Park, Jeong; Comfort, Steve D; Shea, Patrick J; Kim, Jong Sung

    2005-12-15

    Mixtures of energetic compounds pose a remediation problem for munitions-contaminated soil. Although treatment with zerovalent iron (Fe0) can be effective, RDX and TNT are more readily destroyed than HMX. Adding didecyldimethylammonium bromide (didecyl) at 2% w/v with 3% (w/v) Fe0 to a 20% slurry of Los Alamos National Laboratory soil containing solid-phase HMX (45 000 mg/kg) resulted in >80% destruction within 6 days. Because the HMX concentration did not increase in solution and the didecyl equilibrium concentration was well below the critical micelle concentration, we conclude thatthe solution primarily contained didecyl monomers. The adsorption isotherm for didecyl on iron is consistent with electrostatic adsorption of monomers and some hydrophobic partitioning at low equilibrium concentrations. Fe0 pretreated with didecyl was superior to Fe0 alone or mixed with didecyl in removing HMX from solution, but it was less effective than Fe0 + didecyl when solid-phase HMX was present. Reseeding HMX to mimic dissolution indicated an initial high reactivity of didecyl-pretreated Fe0, but the reaction slowed with each HMX addition. In contrast, reaction rates were lower but reactivity was maintained when Fe0 and didecyl were added together and didecyl was included in fresh HMX solutions. Destruction of solid-phase HMX requires low didecyl concentrations in solution so that hydrophobic patches are maintained on the iron surface.

  2. 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.

  3. 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.

  4. Shock induced shear strength in an HMX based plastic bonded explosive

    NASA Astrophysics Data System (ADS)

    Millett, J. C. F.; Taylor, P.; Appleby-Thomas, G.

    2017-01-01

    The shock induced mechanical response of an HMX based plastic bonded explosive (PBX) has been investigated in terms of the shear strength. Results show that shear strength increases with impact stress. However comparison with the calculated elastic response of both the PBX and pure HMX suggests that the overall mechanical response is controlled by the HMX crystals, with the near liquid like nature of the binder phase having a minimal contribution.

  5. 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.

  6. Deflagration-to-Detonation in HMX-Based Propellants

    DTIC Science & Technology

    1982-03-01

    AFOSR-TR- 82-0 67,3 DEFLAGRATION-TO- DETONATION ., IN HMX-BASED PROPELLANTS Final Report Covering the Period January 1, 1977 to November 1, 1981 March...NUMBER AI STR- 8,9.0f)7 3L4 1-1/~/ _ _ _ _ 4. TTLE and ubtile)S. TYPE OF REPORT A PERIOD COVE IED Final Report - January 1, DEFLAGRATION-TO- DETONATION IN...necessary and Identify by block number) The objective of the research was to develop the capability of assessinj the deflagration-to- detonation transistion

  7. Dielectric characterization and microwave interferometry of HMX-based explosives

    NASA Astrophysics Data System (ADS)

    Tringe, Joseph; Kane, Ron; Lorenz, Thomas; Baluyot, Emer; Vandersall, Kevin

    2013-06-01

    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 instantaneous phase difference of the reflected microwave signal from the detonation front and the dielectric constant of the explosive. 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 full 5-50 GHz range. The development and propagation of detonation waves in both heavily- and lightly-confined cylindrical charge geometries will also be highlighted. In some experiments the microwave reflective properties of the region behind the detonation front are characterized by using a remotely-positioned microwave waveguide probe. Ionization pins and Manganin gauges were used with microwaves simultaneously to verify the technique as the detonation front progresses. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  8. 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. © 2013 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

  9. Effect of viscoplasticity on ignition sensitivity of an HMX based PBX

    NASA Astrophysics Data System (ADS)

    Hardin, D. Barrett; Zhou, Min

    2017-01-01

    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 which 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.

  10. 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.

  11. Modeling initiation trains based on HMX and TATB

    NASA Astrophysics Data System (ADS)

    Drake, R. C.; Maisey, M.

    2017-01-01

    There will always be a requirement to reduce the size of initiation trains. However, as the size is reduced the performance characteristics can be compromised. A detailed science-based understanding of the processes (ignition and growth to detonation) which determine the performance characteristics is required to enable compact and robust initiation trains to be designed. To assess the use of numerical models in the design of initiation trains a modeling study has been undertaken, with the aim of understanding the initiation of TATB and HMX charges by a confined, surface mounted detonator. The effect of detonator diameter and detonator confinement on the formation of dead zones in the acceptor explosives has been studied. The size of dead zones can be reduced by increasing the diameter of the detonator and by increasing the impedance of the confinement. The implications for the design of initiation trains are discussed.

  12. 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.

  13. 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.

  14. Deuterium Isotope Effects During HMX Combustion: Chemical Kinetic Burn Rate Control Mechanism Verified

    DTIC Science & Technology

    1989-01-01

    propellant contain- controls the I-IMX burn rate in the pressure range cited. The ing a chemically modified double base ( CMDB ) high oxygen 1.41 KDIE...controlling the observed overall or global burn rate of the could expect from the deuterium labeled HMX methylene HMX/ CMDB composite propellant. It is...measured in the HMX/ CMDB system. A graphic representa- densed phase KDIE investigation of thermochemical decom- non of one cornposic HMX binder

  15. Reaction of Shocked but Undetonated HMX-Based Explosive

    NASA Astrophysics Data System (ADS)

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

    2002-07-01

    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 distance to detonation for the geometry was determined. Sample length was then reduced to less than the observed detonation 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 explosive which is shocked and reacting but not detonated. The results are compared with 2-D Eulerian calculations incorporating a 3-term ignition and growth reactive burn 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.

  16. Burning Rate Studies of HMX Propellants at High Pressures

    DTIC Science & Technology

    1975-03-01

    propellant burning should take place rather than HMX burning. The compounds selected for evaluation were: Melting Point Boiling Point (0C) (0 C) acetanilide ... Acetanilide and phenylsulfone, the two very la,, melting cxnpounds, greatly suppressed the KV exotherm peak (rigue 3). However, this change in the TV...Percent IM (Class A/E, 70/30), 2 Percent Additive] Phenyl Hydro- Additive None Acetanilide Anthracene Sulfone Quinone Pressure (Psi) Burning Rate @ 70

  17. 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.

  18. 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.

  19. Effects of high shock pressures and pore morphology on hot spot mechanisms in HMX

    NASA Astrophysics Data System (ADS)

    Springer, H. K.; Tarver, C. M.; Bastea, S.

    2017-01-01

    The shock initiation and detonation behavior of heterogeneous solid explosives is governed by its microstructure and reactive properties. New additive manufacturing techniques offer unprecedented control of explosive microstructures previously impossible, enabling us to develop novel explosives with tailored shock sensitivity and detonation properties. Since microstructure-performance relationships are not well established for explosives, there is little material design guidance for these manufacturing techniques. In this study, we explore the effects of high shock pressures (15-38 GPa) with long shock durations and different pore morphologies on hot spot mechanisms in HMX. HMX is chosen as the model material because we have experimental data on many of the chemical-thermal-mechanical properties required for pore collapse simulations. Our simulations are performed using the multi-physics arbitrary Lagrangian Eulerian finite element hydrocode, ALE3D, with Cheetah-based models for the unreacted and the product equation-of-states. We use a temperature-dependent specific heat with the unreacted equation-of-state and a temperature-dependent viscosity model to ensure accurate shock temperatures for subsequent chemistry. The Lindemann Law model is used for shock melting in HMX. In contrast to previous pore collapse studies at lower shock pressures (≤10 GPa) in HMX and shorter post-collapse burning times, our calculations show that shock melting occurs above 15 GPa due to higher bulk heating and a prominent elongated ("jet-like") hot spot region forms at later times. The combination of the elongated, post-collapse hot spot region and the higher bulk heating with increasing pressure dramatically increases the growth rate of reaction. Our calculations show that the reaction rate, dF/dt, increases with increasing shock pressure. We decompose the reaction rate into ignition ((dF/dt)ig) and growth ((dF/dt)gr) phases to better analyze our results. We define the ignition phase

  20. 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.

  1. 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).

  2. Base hydrolysis kinetics of HMX-based explosives using sodium carbonate

    SciTech Connect

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

    1996-07-01

    Sodium carbonate has been identified as a possible hydrolysis reagent for decomposing HMX-based explosives to water soluble, non-energetic products. In this study, the reaction kinetics of sodium carbonate hydrolysis are examined and a reaction model is developed. The rate of hydrolysis is reaction rate limited, opposed to mass transfer limited, up to 150{degrees}C. Greater than 99% of the explosive solids in powder form are destroyed in less than 10 minutes at a temperature of 150{degrees}C. The primary products from sodium carbonate hydrolysis are sodium nitrite, formate, nitrate, acetate, glycolate, hexamine, nitrogen gas, nitrous oxide, and ammonia.

  3. 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.

  4. Modelling IHE Main Charge Initiation Trains based on HMX and TATB based Booster Charges

    NASA Astrophysics Data System (ADS)

    Drake, Rodney; Maisey, Matthew

    2015-06-01

    There is always a requirement to reduce the size of initiation trains. However, as the size is reduced the performance characteristics may be compromised. To enable compact and robust initiation trains to be designed requires a detailed science-based understanding of the processes (for example, growth to detonation) which determine the performance characteristics. A numerical modelling study has been performed to understand the designs of initiation trains comprising flyer plate detonator, booster charge and an IHE main charge. The effect of the flyer plate diameter on the distance required to establish uniformly diverging detonation waves in HMX and TATB based booster charges has been studied. Numerical simulations have also examined the effect of the relative sizes of the booster and IHE main charge on the distance required for a stable detonation front to be established in the main charge for both HMX and TATB based booster charges. The implications of the numerical simulations are discussed in terms of the design of initiation trains for IHE main charge systems.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Oblique Plate Impact Experiments to Study the Compression-Shear Behavior of the HMX Based Explosive PBX 9501

    NASA Astrophysics Data System (ADS)

    Reinhart, William; Gustavsen, Rick; Vogler, Tracy; Alexander, Scott; Thornhill, Tom; Clements, Brad; Bartram, Brian; SNL/LANL Collaboration

    2013-06-01

    HMX (cyclotetramethylene-tetranitramine) based explosive, PBX 9501, is a conventional high explosive formulation composed of 95% wt. of HMX and 5% binders. A series of experiments were performed to investigate one-dimensional combined pressure-shear waves in PBX-9501. This study is thought to be the first to estimate shear stress and strength in a plastic bonded high explosive. Experiments were conducted using Sandia National Laboratories oblique launcher at the Shock Thermodynamics Applied Research (STAR) facility. A projectile is keyed to a slot in the launcher barrel in order to prevent rotation. The projectile is faced with a titanium alloy plate inclined at 20 degrees to the launcher axis. The target consists of a 1 mm thick PBX 9501 disk sandwiched between two titanium alloy plates. Measurements of shear and longitudinal particle velocities were used to determine stresses and infer strength. Longitudinal stresses from 1.4 to 3.1 GPa were applied which presented corresponding shear stresses of 0.1 to 0.23 GPa at high shearing strain rates up to 0.4 x 105s-1. This experimental data now provides for the first time, relevant information for model development.

  10. Application of equilibrium chemistry and the Williamsburg equation of state to HMX-based explosives

    NASA Astrophysics Data System (ADS)

    Braithwaite, M.; Swift, D. C.

    1999-06-01

    Thermodynamic equations of state have been demonstrated to give reasonable predictions of the species and states in the reaction products of energetic materials. The Williamsburg is a physically-based algebraic form for an equation of state. The Williamsburg is being used to interpolate and extrapolate a wide-ranging equation of state from a smaller set of chemical calculations of HMX-based explosives. These equations of state will be compared with experiments on explosive performance. Extensions to the Williamsburg form, necessary to treat processes such as carbon condensation in TATB-based explosives, will be discussed.

  11. 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.

  12. 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.

  13. 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.

  14. Deflagrationo-Detonation Transition in HMX-Based Propellants.

    DTIC Science & Technology

    1979-08-01

    BASED PROPELLANTS By: M. Cowperthwaite, W. J J. T/Rosenberg Prepared for: AIR FORCE OFFICE OF SCIENTIFIC RESEARCH Aerospace Sciences Directorate Bldg...94025 hir"tiond (415) 326-6200 • Cable: SRI INTL MPK • TWX: 910-373-1246 -_0 - i 4, I INTRODUCTION > I’ -" .)-I Research on the deflagration-to

  15. 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

  16. 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.

  17. 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.

  18. 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).

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

    PubMed

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

    2006-02-09

    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.

  20. 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.

  1. 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.

  2. 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.

  3. Deformation distribution maps of β-HMX molecular crystals

    NASA Astrophysics Data System (ADS)

    Zamiri, Amir Reza; De, Suvranu

    2010-01-01

    β-HMX, extensively used as an energetic material, exists as monoclinic molecular crystals which exhibit highly nonlinear anisotropic mechanical behaviour. To explain the unique features of the deformation behaviour of β-HMX, we have developed the so-called 'deformation distribution maps' (DDMs) based on a single crystal plasticity model based on empirical data. These DDMs reveal that under uniaxial compression there are ten deformation fibres along which β-HMX exhibits maximum plastic deformation and six other deformation fibres along which the deformation response is mostly elastic. These DDMs are applicable to a wider class of molecular crystals for not only understanding their complex mechanical response, but also to serve as important design tools.

  4. Equation of state, phase transition, decomposition of {beta}-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) at high pressures

    SciTech Connect

    Yoo, Choong-Shik; Cynn, Hyunchae

    1999-12-08

    Pressure-volume relations and vibrational Raman spectra of unreacted HMX (octahydro-1, 3,5,7-tetranitro-1,3,5,7-tetrazocine) have been obtained in both quasihydrostatic conditions to 45 GPa and nonhydrostatic conditions to 10 GPa by using diamond-anvil cell, angle-resolved synchrotron x-ray diffraction, and micro-Raman spectroscopy. The results show that the high-pressure behavior of HMX strongly depends on the stress conditions. HMX is more compressible in hydrostatic conditions (B{sub 0}=12.4 GPa and B{sup '}=10.4) than in nonhydrostatic conditions (B{sub 0}=14.4 GPa, B{sup '}=13.3). This discrepancy in HMX compressibility can be explained in terms of chemical reactions occurring in nonhydrostatic conditions. The static isotherm is in good agreement with the shock Hugoniot, suggesting little temperature effect on the pressure-volume relation. The hydrostatic data suggest that {beta}(monoclinic)-HMX undergoes two phase transitions: (i) a conformational transition at 12 GPa with no apparent abrupt volume change and (ii) a discontinuous one at 27 GPa with a 4% volume change. At 40 GPa, the b and c axes become nearly identical with the c/a ratio 1.62 and {beta}=123 degree sign , approaching a nearly close-packed structure. (c) 1999 American Institute of Physics.

  5. The Determination of Hexahydro-1, 3, 5,-Trinitro-S-Triazine (RDX) and Octahydro-1, 3, 5, 7-Tetranitro-S-Tetrazocine (HMX) by High Performance Liquid Chromatography

    DTIC Science & Technology

    1981-08-01

    Spectrophometry ", Anal. Chem., 44, pp. 1676-1678, August 1972. 5J A compounds. Previous experience in the analysis of er’.rgetic materials using high performance...in Octahydro-l, 3, 5, 7-Tetranitro-s-Tetrazocine (HMX) by Infrared Spectrophometry ", Anal. Chem., 44, pp. 1676-1678, August 1972. 7. J. Omar Doali

  6. Multi-physics Meso-scale Finite Element Simulation of HMX-based Solid Propellant Subjected to Thermal Insults

    NASA Astrophysics Data System (ADS)

    Srivastava, Gaurav; Matous, Karel

    2014-03-01

    A large strain chemo-thermo-mechanical numerical framework has been developed to model the coupled chemical, thermal and mechanical behavior of solid propellant at the meso-scale. The mechanical behavior is modeled using a hyperelastic material model with viscous damage and J2 plasticity. The model admits a general nonlinear coefficient of thermal expansion to capture the thermo-mechanical behavior. The chemical model considers a system of chemical reactions with the rate kinetics being governed by a modified Arrhenius law. The thermal model considers thermodynamically consistent energy contributions from the inelastic mechanical deformations and the chemical reactions. The finite element method has been employed to discretize the continuum equations. Some simulation results will be presented to demonstrate the use of the developed framework in modeling the behavior of HMX-based solid propellant under thermal loads. The developed framework captures the large volumetric strains that are a characteristic of the β- δ phase transition of the HMX crystals and is able to predict locations of potential cracks in the binder. Such a simulation tool may prove to be useful in determining optimal conditions for the safe storage of such materials. Indian Institute of Technology, Gandhinagar VGEC Complex, Chandkheda, Ahmedabad, Gujarat - 382424.

  7. 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.

  8. A Far- and Mid-Infrared Study of HMX (octahydro- 1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under High Pressure

    NASA Astrophysics Data System (ADS)

    Pravica, Michael; Galley, Martin; Kim, Eunja; Weck, Phillipe; Liu, Zhenxian

    2010-10-01

    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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Initial decomposition of the condensed-phase β-HMX under shock waves: molecular dynamics simulations.

    PubMed

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

    2012-11-26

    We have performed quantum-based multiscale simulations to study the initial chemical processes of condensed-phase octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under shock wave loading. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. The results show that the initial decomposition of shocked HMX is triggered by the N-NO(2) bond breaking under the low velocity impact (8 km/s). As the shock velocity increases (11 km/s), the homolytic cleavage of the N-NO(2) bond is suppressed under high pressure, the C-H bond dissociation becomes the primary pathway for HMX decomposition in its early stages. It is accompanied by a five-membered ring formation and hydrogen transfer from the CH(2) group to the -NO(2) group. Our simulations suggest that the initial chemical processes of shocked HMX are dependent on the impact velocity, which gain new insights into the initial decomposition mechanism of HMX upon shock loading at the atomistic level, and have important implications for understanding and development of energetic materials.

  15. 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.

  16. 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.

  17. 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.

  18. Binder/HMX Interaction in PBX9501 at Elevated Temperatures

    NASA Astrophysics Data System (ADS)

    Saw, Cheng K.; Tarver, Craig M.

    2004-07-01

    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 β- to δ-phase transition in PBX 9501 is similar to that in neat HMX. However, in the presence of the PBX 9501 binder, δ-phase HMX readily converts back to β-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 δ-phase to β-phase is due to changes in the surface molecular potential caused by the influence of the polymer binder on the δ-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 δ-phase to β-phase transition, as demonstrated in an aged PBX 9501 material for which the reversion is not observed.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Molecular Beam Sampling Mass Spectrometry of High Heating Rate Pyrolysis: Description of Data Acquisition System and Pyrolysis of HMX in a Polyurethane Binder

    DTIC Science & Technology

    1978-03-01

    such as described above, a series of pyrolyses was performed on nitro- cellulose (NC) and cyclotetramethylene tetranitramine in a polyurethane...similar experiments on HMX/PU (3:1; 5\\i HMX particle size) are shown in Figures 5 and 6. In the slower pyrolyses there generally appears to be no

  4. A far- and mid-infrared study of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under high pressure

    NASA Astrophysics Data System (ADS)

    Pravica, Michael; Galley, Martin; Kim, Eunja; Weck, Philippe; Liu, Zhenxian

    2010-11-01

    We report two separate synchrotron FTIR measurements of the high explosive HMX at ambient temperature and static high pressure in the far- (100-500 cm -1) and mid- (500-3200 cm -1) 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 were observed near 5 and 12 GPa (likely into the ∈ phase). A phase transition was observed near 25 GPa probably into the δ phase. Pressure cycling in both experiments found no irreversible damage within this pressure range.

  5. The thermal response of HMX-TATB charges

    NASA Astrophysics Data System (ADS)

    Drake, R. C.

    2017-01-01

    One approach to achieving charge safety and performance requirements is to prepare formulations containing two (or more) explosives. The intention of this approach is that by judicious choice of explosives and binder the formulation will have the desirable features of the constituent materials. HMX and TATB have very different properties. In an attempt to achieve a formulation which has the safety and performance characteristics of TATB and HMX, respectively, a range of formulations were prepared. The thermal response of the formulations were measured in the One-Dimensional Time To Explosion (ODTX) configuration and compared to those of formulations containing only HMX and TATB. The response of the mixed formulations was found to be largely determined by the HMX component with the binder making a small contribution. A formulation with a Kel-F 800 binder had a much higher critical temperature than would have been expected based on the critical temperatures of formulations with HTPB-IPDI as the binder.

  6. 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.

  7. Biotransformation of RDX and HMX by Anaerobic Granular Sludge with Enriched Sulfate and Nitrate.

    PubMed

    An, Chunjiang; Shi, Yarong; He, Yanling; Huang, Guohe; Liu, Yonghong; Yang, Shucheng

    2017-05-01

      RDX and HMX are widely used energetic materials and they are recognized as environmental contaminants at numerous locations. The present study investigated the biotransformation of RDX and HMX by anaerobic granular sludge under sulfate- and nitrate-enriched conditions. The results showed that RDX and HMX could be transformed by anaerobic granular sludge when nitrate was present. However, the biotransformation of RDX and HMX was negatively influenced, especially with high nitrate concentrations. Sulfate-enriched conditions were more favorable for the removal of ammunition compounds by anaerobic granular sludge than nitrate-enriched conditions. The removal of RDX and HMX under both nitrate- and sulfate-enriched conditions was facilitated by the use of glucose as additional substrate. This knowledge may help identify factors required for rapid removal of RDX and HMX in high-rate bioreactors. These results can also be applied to devise an appropriate and practical biological treatment strategy for explosive contaminated wastewater.

  8. 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.

  9. 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.

  10. A contribution to the knowledge of HMX decomposition and application of results. [at atmospheric pressure

    NASA Technical Reports Server (NTRS)

    Kraeutle, K. J.

    1980-01-01

    The decomposition of cyclotramethylenetetranitramine (HMX) in the solid and liquid phase was studied by isothermal and nonisothermal heating at atmospheric pressure. Decomposition rates of solid HMX changed with sample size and gaseous environment. Kinetic parameters were obtained from weight loss measurements in the temperature range 229 C - 269 C. These tests also yielded highly porous solid residues. Qualitative aspects of solid and liquid phase decomposition of HMX with additives were also investigated in isothermal and nonisothermal tests.

  11. Pilot-scale pressurized base hydrolysis of HMX plastic-bonded explosives

    SciTech Connect

    Larson, S.A.; Brewer, G.R.; Harradine, D.M.; Polston, C.E.; Le, L.A.; Bishop, R.L.; Dell`Orco, P.C.; Flesner, R.L.

    1998-12-31

    A pilot-scale, pressurized, base hydrolysis reactor has been designed and its construction is nearly completed. Up to 120 L of 1--6 M NaOH aqueous solutions will convert as much as 25 kg of consolidated, explosive pieces to non-energetic compounds. Temperatures approaching 155 C in the pressurized unit will reduce reaction times significantly for the destruction of plastic-bonded explosives compared to previous atmospheric-pressure reactors. The hydrolysis effluent is then pumped into a holding tank where it is fed into a hydrothermal oxidation reactor for complete destruction to non-hazardous products. The hydrothermal unit operates at 480 C and 100 MPa and hydrogen peroxide fed into the reactor at two points will ensure complete destruction of all organic species and nitrogen-containing salts. The entire system is comprised of eight major components and is assembled on five separate and transportable skids. Following construction and preliminary testing at Los Alamos National Laboratory, the unit will be shipped to the Pantex Plant where it will be used for continuous demilitarization activities.

  12. 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.

  13. 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.

  14. 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.

  15. 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).

  16. 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.

  17. Charge transfer in TATB and HMX under extreme conditions.

    PubMed

    Zhang, Chaoyang; Ma, Yu; Jiang, Daojian

    2012-11-01

    Charge transfer is usually accompanied by structural changes in materials under different conditions. However, the charge transfer in energetic materials that are subjected to extreme conditions has seldom been explored by researchers. In the work described here, the charge transfer in single molecules and unit cells of the explosives TATB and HMX under high temperatures and high pressures was investigated by performing static and dynamic calculations using three DFT methods, including the PWC functional of LDA, and the BLYP and PBE functionals of GGA. The results showed that negative charge is transferred from the nitro groups of molecular or crystalline TATB and HMX when they are heated. All DFT calculations for the compressed TATB unit cell indicate that, generally, negative charge transfer occurs to its nitro groups as the compression increases. PWC and PBE calculations for crystalline HMX show that negative charge is first transferred to the nitro groups but, as the compression increases, the negative charge is transferred from the nitro groups. However, the BLYP calculations indicated that there was gradual negative charge transfer to the nitro groups of HMX, similar to the case for TATB. The unrelaxed state of the uniformly compressed TATB causes negative charge to be transferred from its nitro groups, in contrast to what is seen in the relaxed state. Charge transfer in TATB is predicted to occur much more easily than in HMX.

  18. 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.

  19. Surface-Accelerated Decomposition of δ-HMX.

    PubMed

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

    2013-03-07

    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.

  20. 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.

  1. 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

  2. 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.

  3. Development of inert density mock materials for HMX

    DOE PAGES

    Yeager, John D.; Higginbotham Duque, Amanda L.; Shorty, Marvin; ...

    2017-09-22

    Inert surrogates or mocks for high explosives are commonly used in place of the real material for complex experiments or in situations where safety is a concern. We tested several materials as potential mocks for HMX in terms of density, thermal stability, and processability. Selection criteria were developed and a literature search was conducted primarily using the Cambridge Structural Database. Moreover, out of over 200 potentially acceptable materials, six were chosen for crystallization experiments and a suite of analytical characterization. Of these six, 5-iodo-2'-deoxyuridine, N,N'-bis(2,3,4,5,6-pentafluorophenyl)oxamide, and 2,3,4,5,6-pentafluorobenzamide all were found to be thermally stable at 150°C, matched HMX density asmore » a pressed pellet, and could be crystallized to appropriate particle sizes. These three materials are considered suitable inert density mocks for HMX and will be the subject of future testing.« less

  4. Burning rate for steel-cased, pressed binderless HMX

    NASA Technical Reports Server (NTRS)

    Fifer, R. A.; Cole, J. E.

    1980-01-01

    The burning behavior of pressed binderless HMX laterally confined in 6.4 mm i.d. steel cases was measured over the pressure range 1.45 to 338 MPa in a constant pressure strand burner. The measured regression rates are compared to those reported previously for unconfined samples. It is shown that lateral confinement results in a several-fold decrease in the regression rate for the coarse particle size HMX above the transition to super fast regression. For class E samples, confinement shifts the transition to super fast regression from low pressure to high pressure. These results are interpreted in terms of the previously proposed progressive deconsolidation mechanism. Preliminary holographic photography and closed bomb tests are also described. Theoretical one dimensional modeling calculations were carried out to predict the expected flame height (particle burn out distance) as a function of particle size and pressure for binderless HMX burning by a progressive deconsolidation mechanism.

  5. 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.

  6. Biodegradation of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) by Phanerochaete chrysosporium: new insight into the degradation pathway.

    PubMed

    Fournier, Diane; Halasz, Annamaria; Thiboutot, Sonia; Ampleman, Guy; Manno, Dominic; Hawari, Jalal

    2004-08-01

    Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is a recalcitrant energetic chemical that tends to accumulate in soil, close to the surface. The present study describes the aerobic biodegradability of HMX using Phanerochaete chrysosporium. When added to 7 day old static P. chrysosporium liquid cultures, HMX (600 nmol) degraded within 25 days of incubation. The removal of HMX was concomitant with the formation of transient amounts of its mono-nitroso derivative (1-NO-HMX). The latter apparently degraded via two potential routes: the first involved N-denitration followed by hydrolytic ring cleavage, and the second involved alpha-hydroxylation prior to ring cleavage. The degradation of 1-NO-HMX gave the ring-cleavage product 4-nitro-2,4-diazabutanal (NDAB), nitrite (NO2 -), nitrous oxide (N2O), and formaldehyde (HCHO). Using [14C]-HMX, we obtained 14CO2 (70% in 50 days), representing three C atoms of HMX. Incubation of real soils, contaminated with either HMX (403 micromol kg(-1)) (military base soil) or HMX (3057 micromol kg(-1)), and RDX (342 micromol kg(-1)) (ammunition soil) with the fungus led to 75 and 19.8% mineralization of HMX (liberated 14CO2), respectively, also via the intermediary formation of 1-NO-HMX. Mineralization in the latter soil increased to 35% after the addition of glucose, indicating that a fungus-based remediation process for heavily contaminated soils is promising. The present findings improve our understanding about the degradation pathway of HMX and demonstrate the utility of using the robust and versatile fungus P. chrysosporium to develop effective remediation processes for the removal of HMX.

  7. 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.

  8. 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. Copyright © 2010 Elsevier B.V. All rights reserved.

  9. Ultrafast dynamic response of single crystal β-HMX

    NASA Astrophysics Data System (ADS)

    Zaug, Joseph M.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Radousky, Harry B.; Ferranti, Louis; Swan, Raymond; Gross, Rick; Teslich, Nick E.; Wall, Mark A.; Austin, Ryan A.; Fried, Laurence E.

    2017-01-01

    We report results from ultrafast compression experiments conducted on β-HMX single crystals. Results consist of nominally 12 picosecond time-resolved wave profile data, (ultrafast time domain interferometry -TDI measurements), that were analyzed to determine high-velocity wave speeds as a function of piston velocity. TDI results are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. Our previous results derived using a 350 ps duration compression drive revealed anisotropic elastic wave response in single crystal β-HMX from (110) and (010) impact planes. Here we present results using a 1.05 ns duration compression drive with a 950 ps interferometry window to extend knowledge of the anisotropic dynamic response of β-HMX within eight microns of the initial impact plane. We observe two distinct wave profiles from (010) and three wave profiles from (010) impact planes. The (110) impact plane wave speeds typically exceed (010) impact plane wave speeds at the same piston velocities. The development of multiple hydrodynamic wave profiles begins at 20 GPa for the (110) impact plane and 28 GPa for the (10) impact plane. We compare our ultrafast TDI results with previous gun and plate impact results on β-HMX and PBX9501.

  10. 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. 2009 Elsevier B.V. All rights reserved.

  11. Alternative Processes for HMX Manufacture

    DTIC Science & Technology

    1979-10-01

    Holston Army Ammunition Plant ATTN: J. T. Rogers Kingsport , TN 37665 Weapon System Concept Team/CSL ATTN...indicated that future HMX production requirements could be met at the lowest cost and risk by Holston Army Ammunition Plant (HAAP) using the Bachmann...U.S. Army Armament Materiel Readiness Command ATTN: DRSAR-RDM, G. Cowan Rock Island, IL 61299 Commander Radford Army Ammunition Plant

  12. 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.

  13. Ignition and growth modeling of detonation reaction zone experiments on single crystals of PETN and HMX

    NASA Astrophysics Data System (ADS)

    White, Bradley W.; Tarver, Craig M.

    2017-01-01

    It has long been known that detonating single crystals of solid explosives have much larger failure diameters than those of heterogeneous charges of the same explosive pressed or cast to 98 - 99% theoretical maximum density (TMD). In 1957, Holland et al. demonstrated that PETN single crystals have failure diameters of about 8 mm, whereas heterogeneous PETN charges have failure diameters of less than 0.5 mm. Recently, Fedorov et al. quantitatively determined nanosecond time resolved detonation reaction zone profiles of single crystals of PETN and HMX by measuring the interface particle velocity histories of the detonating crystals and LiF windows using a PDV system. The measured reaction zone time durations for PETN and HMX single crystal detonations were approximately 100 and 260 nanoseconds, respectively. These experiments provided the necessary data to develop Ignition and Growth (I&G) reactive flow model parameters for the single crystal detonation reaction zones. Using these parameters, the calculated unconfined failure diameter of a PETN single crystal was 7.5 +/- 0.5 mm, close to the 8 mm experimental value. The calculated failure diameter of an unconfined HMX single crystal was 15 +/- 1 mm. The unconfined failure diameter of an HMX single crystal has not yet been determined precisely, but Fedorov et al. detonated 14 mm diameter crystals confined by detonating a HMX-based plastic bonded explosive (PBX) without initially overdriving the HMX crystals.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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. 2010 Elsevier B.V. All rights reserved.

  20. 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.

  1. Solid phase microextraction-high performance liquid chromatographic determination of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the presence of sodium dodecyl sulfate surfactant.

    PubMed

    Malik, Ashok Kumar; Rai, Parmod Kumar

    2008-07-01

    A simple and sensitive method has been developed using preconcentration technique solid phase microextraction (SPME) and analytical technique HPLC-UV for the determination of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) from the environmental samples. Aqueous solution of anionic surfactant SDS was used for the extraction of both nitramine high explosives, viz., HMX and RDX from soil samples which were subsequently sorbed on SPME fiber. The static desorption was carried out in the desorption chamber of the SPME-HPLC interface in the presence of mobile phase ACN/methanol/water (30:35:35) and the subsequent chromatographic analysis at a flow rate of 0.5 mL/min and detection at 230 nm. For this purpose, a C(18), 5 microm RP analytical column was used as a separation medium in this method. Several parameters relating to SPME, e.g., adsorption/desorption time, concentration of salt, stirring rate, etc., were optimized. The method was linear over the range of 20-400 ng/mL for HMX and RDX standards in the presence of surfactant in aqueous phase, respectively. The correlation coefficient (R(2)) for HMX and RDX are 0.9998 and 0.9982, respectively. With SPME, the detection limits (S/N = 3) in ng/mL are 0.05 and 0.1 for HMX and RDX, respectively in the presence of the SDS surfactant. The developed method has been applied successfully to the analysis of real environmental samples like bore well water, river water, and ground alluvial soil.

  2. Optical properties of RDX and HMX

    SciTech Connect

    Isbell, R.A.; Brewster, M.Q.

    1996-07-01

    Optical properties of RDX (cyclotrimethylene-trinitramine) and HMX (cyclotetramethylene-tetranitramine) were obtained from 2.5 to 18 {micro}m using scattering-corrected KBr pellet-FTIR transmission spectroscopy. Absorption index (k) was measured directly and refractive index (n) was deduced using dispersion theory. At 10.6 {micro}m the absorption coefficients were RDX, 2,800 cm{sup {minus}1} and HMX, 5,670 cm{sup {minus}1}.

  3. 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.

  4. 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).

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

    NASA Astrophysics Data System (ADS)

    Duran, Adam V.; Sundararaghavan, Veera

    2017-01-01

    In this work, 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. Benchmark problems are presented for geometries in which a single HMX crystal is subjected to a shock condition.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. 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.

  13. Surface Analysis of Beta-HMX

    DTIC Science & Technology

    1982-06-02

    the shipping bags used for 1NX showed a long chain aliphatic ester and was identified as beeswax The beeswax is soluble in isopropyl alcohol and...somewhat in water which explains\\,how beeswax is transmitted to the hMX particles. HMX is shipped either water or isopropyl alcohol wet. A second sizing...the ;MX. The estimated concen- trations of RDX fines was 0.1% and the beeswax 0.01%. FUTURE WORK No further work is planned. DISCUSSION Optical

  14. 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.

  15. 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.

  16. Molecular (SNP) Analyses of Overlapping Hemizygous Deletions of 10q25.3 to 10qter in Four Patients: Evidence for HMX2 and HMX3 as Candidate Genes in Hearing and Vestibular Function

    PubMed Central

    Miller, Nathaniel D.; Nance, Melonie A.; Wohler, Elizabeth S.; Hoover-Fong, Julie E.; Lisi, Emily; Thomas, George H.; Pevsner, Jonathan

    2009-01-01

    We report on the analyses of four unrelated patients with de novo, overlapping, hemizygous deletions of the long arm of chromosome 10. These include two small terminal deletions (10q26.2 to 10qter), a larger terminal deletion (10q26.12 to 10qter), and an interstitial deletion (10q25.3q26.13). Single nucleotide polymorphism (SNP) studies (Illumina 550 K) established that these deletions resulted in the hemizygous loss of ∼6.1, ∼6.1, ∼12.5, and ∼7.0 Mb respectively. Additionally, these data establish that Patients 1, 2, and 3 share common, distal, hemizygous deleted regions of 6.09 Mb containing 37 RefSeq genes. Patients 3 and 4 share a 2.52 Mb deleted region corresponding to the proximal deleted region of Patient 3 and the distal deleted region of Patient 4. This common, hemizygous region contains 20 RefSeq genes including two H6 family homeobox genes (HMX2 and HMX3). Based on previous reports that Hmx2/Hmx3 knockout mice have vestibular anomalies, we propose that hemizygous deletions of HMX2 and HMX3 are responsible for the inner ear malformations observed from CT images, vestibular dysfunction, and congenital sensorineural hearing loss found in Patients 3 and 4. PMID:19253379

  17. 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.

  18. Analysis of Deflagration to Detonation Transition in High-Energy Solid Propellants

    DTIC Science & Technology

    1984-09-01

    double base HMX. cyclotetramethylene tetranitramine _ HTPB , hydroxy-terminated polybutadiene A 7 linearly) with the operating pressure, a more effective ...TO DETONATION TRANSITION IN HIGH-ENERGY SOLID PROPELLANTS prepared by P., Barry Butler 1) and Herman Krier( 2 ) - Department of Mechanical and...detonation hazards in -damaged, HMX- based solid propellants . The system of coupled partial’ differential equations describir.g the one-dimensional, two

  19. 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.

  20. A theoretical study of the stress relaxation in HMX on the picosecond time scale

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2015-12-01

    The stress relaxation model of β-HMX on the picosecond time scale is studied by a theoretical approach. The relaxation of normal stress is contributed by lattice vibration, and the relaxation of shear stress is contributed by molecular rotation. Based on this model, the energy dissipation rule of the elastic wave and the profile of the shock wave are investigated. We find at low frequency the dissipation rate of the elastic wave is proportional to the power function of frequency, and under high speed shock loading the width of the stress relaxation zone is less than 0.3 μm there is a pressure peak with a height of 14 GPa near the wave front.

  1. Further observations on HMX particle size and buildup to detonation

    SciTech Connect

    Bernecker, R.R.; Simpson, R.L.

    1998-07-01

    Shock loading data for various particle sizes of HMX in unreactive (water) and reactive (FEFO) binder systems [1] have been re-analyzed. Traditional distance-to-detonation (x{sup {asterisk}}) values have been obtained for comparison to other wedge test data for systems using various particle sizes of HMX and RDX. In the log x{sup {asterisk}}{minus}log P plane, the slope is nearly identical for 5 {mu}m HMX/water and 5 {mu}m HMX/FEFO samples, supporting the proposition that the slope in the log-log plane is constant for fine particle sizes of HMX. Analyses of predetonation distance-time ({ital x,t}) paths show similarities for a given particle size of HMX at various input pressures, suggestive of a common-curve buildup process. {copyright} {ital 1998 American Institute of Physics.}

  2. Effects of defects on thermal decomposition of HMX via ReaxFF molecular dynamics simulations.

    PubMed

    Zhou, Ting-Ting; Huang, Feng-Lei

    2011-01-20

    Effects of molecular vacancies on the decomposition mechanisms and reaction dynamics of condensed-phase β-HMX at various temperatures were studied using ReaxFF molecular dynamics simulations. Results show that three primary initial decomposition mechanisms, namely, N-NO(2) bond dissociation, HONO elimination, and concerted ring fission, exist at both high and lower temperatures. The contribution of the three mechanisms to the initial decomposition of HMX is influenced by molecular vacancies, and the effects vary with temperature. At high temperature (2500 K), molecular vacancies remarkably promote N-N bond cleavage and concerted ring breaking but hinder HONO formation. N-N bond dissociation and HONO elimination are two primary competing reaction mechanisms, and the former is dominant in the initial decomposition. Concerted ring breaking of condensed-phase HMX is not favored at high temperature. At lower temperature (1500 K), the most preferential initial decomposition pathway is N-N bond dissociation followed by the formation of NO(3) (O migration), although all three mechanisms are promoted by molecular vacancies. The promotion effect on concerted ring breaking is considerable at lower temperature. Products resulting from concerted ring breaking appear in the defective system but not in the perfect crystal. The mechanism of HONO elimination is less important at lower temperature. We also estimated the reaction rate constant and activation barriers of initial decomposition with different vacancy concentrations. Molecular vacancies accelerate the decomposition of condensed-phase HMX by increasing the reaction rate constant and reducing activation barriers.

  3. 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.

  4. Mathematical modeling of RDX and HMX metabolism in poplar (Populus deltoides x Populus nigra, DN34) tissue culture.

    PubMed

    Mezzari, Melissa P; Van Aken, Benoit; Yoon, Jong M; Just, Craig L; Schnoor, Jerald L

    2004-01-01

    Three mathematical models were developed based on a fate study as an approach to define transformation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) within plant cells. [U-14C]RDX and [U-14C]HMX were added in Murashige and Skoog (MS) liquid media containing Populus deltoides x P. nigra (DN34) tissue cultures. Radioactivity of samples was analyzed using HPLC, a bio-oxidizer and liquid scintillation counter. Based on information collected, transformation pathways of nitramine compounds were fitted with the raw data obtained and using a modified "green liver" model. Ordinary differential equations were developed and simulations were performed with MicroMath Scientist version 2.0 (MicroMath Inc., St. Louis, MO, USA). The three models, with different sequential transformation processes, were tested in order to support the raw data (model I) and the assumptions of the modified "green liver" model (models II and III). The results showed a high correlation between the collected data and the simulated concentrations for all models. Thus, the simplest model developed (model I) is the best model description of these particular results. The results obtained suggest that the principle of parsimony should be applied. The "green liver"-based models also demonstrated a reliable approach for the investigation of degradation pathways of nitramines within plant cells.

  5. Acid and alkali effects on the decomposition of HMX molecule: a computational study.

    PubMed

    Zhang, Chaoyang; Li, Yuzhen; Xiong, Ying; Wang, Xiaolin; Zhou, Mingfei

    2011-11-03

    The stored and wasted explosives are usually in an acid or alkali environment, leading to the importance of exploring the acid and alkali effects on the decomposition mechanism of explosives. The acid and alkali effects on the decomposition of HMX molecule in gaseous state and in aqueous solution at 298 K are studied using quantum chemistry and molecular force field calculations. The results show that both H(+) and OH(-) make the decomposition in gaseous state energetically favorable. However, the effect of H(+) is much different from that of OH(-) in aqueous solution: OH(-) can accelerate the decomposition but H(+) cannot. The difference is mainly caused by the large aqueous solvation energy difference between H(+) and OH(-). The results confirm that the dissociation of HMX is energetically favored only in the base solutions, in good agreement with previous HMX base hydrolysis experimental observations. The different acid and alkali effects on the HMX decomposition are dominated by the large aqueous solvation energy difference between H(+) and OH(-).

  6. 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.

  7. 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.

  8. Human health risks from TNT, RDX, and HMX in environmental media and consideration of the US Regulatory Environment

    SciTech Connect

    Daniels, J.I.; Knezovich, J.P.

    1994-12-01

    Although the most economical method for disposing of unwanted energetic high explosives [HEs; e.g., 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-triazine (RDX, also known as Cyclonite), and octahydro-1,3,5,7-tetrazocine (HMX, also known as Octogen)] involves open burning and open or underground detonation [OB/O(U)D]; federal, state, and even local government agencies in the United States (U.S.) are implementing stricter environmental regulations that eventually may prevent such activities. These stricter regulations will promote alternative technologies that are designed to be environmentally benign. However, past HE-waste disposal practices at manufacturing and fabrication facilities in the U.S. have included uncontrolled OB/O(U)D, as well as direct surface discharge of HE-contaminated waste water, resulting in contaminated environmental media (e.g., ground water, soil, and perhaps even edible vegetation) near residential areas. Using TNT, RDX, and HMX as examples, this paper describes how risk-based standards for HEs can be derived that account for potential multimedia exposures (associated with contaminated air, water, food, and soil) by individuals near a contaminated site, and used to (1) protect public health and safety; (2)prevent limited resources from being dedicated to unnecessary cleanup activities; and (3) identify the most cost-effective, practical, and environmentally benign technologies suitable for integrating with the handling of the large quantity of high explosives scheduled for demilitarization.

  9. 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 Central

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

    2012-01-01

    SUMMARY 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

  10. 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

  11. 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.

  12. Kinetics of β→δ Solid-Solid Phase Transition of HMX

    SciTech Connect

    Weese, Randall 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, β→δ for HMX. The values of Ea 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 ΔHo, for the β→δ phase transition was reproducible with in 3 parts in 100 over the range of this experiment. Thus, the data derived from this experiment k, Ea, and ΔHo are valid parameters for the solid-solid phase transition. Obtaining pure β 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 β phase material. In addition, the particle size was controlled more rigorously at about 160 μm, giving a more consistent result for α. 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-1. For the purpose of this investigation the energy of activation found in this work

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Mechanical properties of β-HMX.

    PubMed

    Gallagher, Hugh G; Miller, John C; Sheen, David B; Sherwood, John N; Vrcelj, Ranko M

    2015-01-01

    For a full understanding of the mechanical properties of a material, it is essential to understand the defect structures and associated properties and microhardness indentation is a technique that can aid this understanding. The Vickers hardness on (010), {011} and {110} faces lay in the range of 304-363 MPa. The Knoop Hardnesses on the same faces lay in the range 314-482 MPa. From etching of three indented surfaces, the preferred slip planes have been identified as (001) and (101). For a dislocation glide, the most likely configuration for dislocation movement on the (001) planes is (001) [100] (|b| = 0.65 nm) and for the (101) plane as (101) [Formula: see text] (|b| = 1.084 nm) although (101) [010] (|b| = 1.105 nm) is possible. Tensile testing showed that at a stress value of 2.3 MPa primary twinning occurred and grew with increasing stress. When the stress was relaxed, the twins decreased in size, but did not disappear. The twinning shear strain was calculated to be 0.353 for the (101) twin plane. HMX is considered to be brittle, compared to other secondary explosives. Comparing HMX with a range of organic solids, the values for hardness numbers are similar to those of other brittle systems. Under the conditions developed beneath a pyramidal indenter, dislocation slip plays a major part in accommodating the local deformation stresses. Graphical abstractHMX undergoing tensile testing.

  18. Micromechanical Simulations of Plastic-Bonded Explosives Containing HMX

    NASA Astrophysics Data System (ADS)

    Kober, Edward M.; Menikoff, Ralph S.

    1997-07-01

    The heterogeneous nature of plastic-bonded explosives, explosive crystals embedded in a rubbery binder, has long been recognized as an important factor in their initiation. In response to weak impacts, low pressure compaction waves are formed and lead to the localization of energy in the form of ``hot spots''. In order to understand the mechanism generating the hot spots and their resulting distribution, we have performed micromechanical simulations using the FLIP code of Brackbill, et al., which is based on the ``particle in a cell'' algorithm. These simulations have a distribution of HMX crystal sizes representative of a PBX. The crystals are modeled as either a pure elastic or elastic/plastic material with a linear Us/Up equation of state. The binder is represented as a viscoelastic material. The fluctuations in the local stress and temperature arising from low velocity plate impacts ( 100 m/s) are described.

  19. 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.

  20. 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. Copyright © 2010 Elsevier B.V. All rights reserved.

  1. 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.

  2. Ultrasonically promoted nitrolysis of DAPT to HMX in ionic liquid.

    PubMed

    Hua, Qian; Zhiwen, Ye; Chunxu, Lv

    2008-04-01

    The present work aims at developing a new process to synthesize HMX from DAPT using ultrasound in ionic liquid. Reaction has been carried out in ultrasonic bath, effect of various parameters such as presence and absence of ultrasound, volume and type of solvent, temperature, concentration of nitrating agent has been investigated with an aim of obtaining the optimum conditions for the synthesis of HMX. It was observed that ultrasonically promoted nitroylsis of DAPT to HMX has exhibited significant enhancement in yield at ambient condition.

  3. Current experimental and theoretical understanding of detonation waves in heterogeneous solid explosives. [HMX

    SciTech Connect

    Tarver, C.M.; Breithaupt, R.D.; Kury, J.W.

    1987-04-14

    Nanosecond time resolution embedded gauge, laser interferometric, and numerical modeling techniques have been applied to detonating heterogeneous solid explosives based on HMX, TATB, TNT and PETN. These techniques combine to yield an average, one-dimensional ZND profile of the reaction zones and an estimate of the unreacted von Neumann spike state (or a partially reacted state depending on the actual time resolution of the experimental techniques and the actual initial reaction rates). Generally the new results confirm previous measurements of the spike pressure and overall reaction zone length, but they yield much more precise information on the chemical energy release rates under various experimental conditions. The relatively slow process of carbon condensation in HMX detonation is observed following rapid release of most of the chemical energy. In the longer reaction zones of TNT and TATB-based explosives, a rapid exothermic process followed by a slower exothermic process is also observed. 21 refs., 8 figs.

  4. 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.

  5. High dynamic range emission measurements of shocked energetic materials: Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)

    NASA Astrophysics Data System (ADS)

    Bassett, Will P.; Dlott, Dana D.

    2016-06-01

    A new emission apparatus with high time resolution and high dynamic range was used to study shock-induced ignition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in the form of ultrafine powder (4 ± 3 μm particle size), over a range of impact velocities (0.8-4.3 km s-1) and impact durations (2.5-16 ns). A graybody model was used to extract graybody emissivities and time-dependent temperatures from a few ns to 100 μs. The emission transients consisted of three parts: a 6700 K nanosecond burst during the shocks, a 4000-4500 K temperature spike near 0.3 μs followed by a ˜3300 K tail extending out to ˜100 μs. These temperatures varied remarkably little with impact velocity and duration, while the emission intensities and emissivities changed by over an order of magnitude. The emissivity changes were interpreted with a hot spot model, where hot spot temperatures reached a maximum of 6700 K and the hot spot volume fractions increased from 5% to 100% as impact velocity increased from 1 to 3 km s-1. Changing shock durations in the 2.5-16 ns range had noticeable effects on the microsecond emission. The 0.3 μs temperature spike was much smaller or absent with 2.5 ns shocks, but prominent with longer durations. An explanation for these effects was put forth that invoked the formation of carbon-rich clusters during the shock. In this view, cluster formation was minimal with 2.5 ns shocks, but longer-duration shocks produced increasingly larger clusters, and the 0.3 μs temperature spikes represented cluster ignition.

  6. 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.

  7. 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.

  8. Environmental Fate Studies of HMX Screening Studies. Phase 1

    DTIC Science & Technology

    1982-12-01

    spectrophotometer . The molar extinction coefficients (EX) for wavelengths in the solar spectral region (X > 298 nm) were calculated using the Beer ... Lambert Law. They are shown in Table 4. Because RDX is structurally related to HMX, we obtained the UV spectrum (Figure 2) and calculated EX values...sodium dithionite, Na2 S2 0 , under argon in a basic carbonate solution before being mixed with HMX solution (pH 11.2). We observed no reduction of

  9. 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

    2016-05-05

    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.

  10. 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.

  11. 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.

  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 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

  14. 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.

  15. 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.

  16. 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.

  17. The Role of Binders in Controlling the Cook-Off Violence of HMX/HTPB Compositions

    NASA Astrophysics Data System (ADS)

    Cook, M. D.; Stennett, C.; Haskins, P. J.; Briggs, R. I.; Wood, A. D.; Cheese, P. J.

    2006-07-01

    There is a clear difference in cook-off vulnerability between highly-loaded pressed compositions such as LX-14 (pressed 95.5% HMX/4.5% binder), which yield violent responses, and cast compositions with low loadings, such as CPX 301 (85% RDX/15% HTPB), which yield relatively mild responses. These two classes of composition differ primarily in the quantity of binder, and in the manufacturing method used in production. An experimental study was conducted in an attempt to determine the filling proportion beyond which violent responses are observed. Here we describe a series of small-scale cook-off experiments which studied pressed compositions of 88%, 91%, 95% and 96% HMX, mixed with cured, cross-linked HTPB. The experiments used a novel glass-windowed test vehicle, instrumented internally with thermocouples. A trend of increasing event violence with increasing proportion of HMX was found, although in none of the experiments was mass reaction recorded. The results from these experiments are discussed.

  18. Pressure-dependent decomposition kinetics of the energetic material HMX up to 3.6 GPa.

    PubMed

    Glascoe, Elizabeth A; Zaug, Joseph M; Burnham, Alan K

    2009-12-03

    The effect of pressure on the global 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. Global 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 0.1 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 to pressure-inhibiting bond homolysis step(s), which would result in an increase in volume. These results indicate that both the beta- and delta-polymorphs of HMX are sensitive to pressure in the thermally induced decomposition kinetics.

  19. Quasi-dynamic pressure and temperature initiated β<-->δ solid phase transitions in HMX

    NASA Astrophysics Data System (ADS)

    Zaug, Joseph M.; Farber, Daniel L.; Craig, Ian M.; Blosch, Laura L.; Shuh, David K.; Hansen, Donald W.; Aracne-Ruddle, Chantel M.

    2000-04-01

    The phase transformation of β-HMX (>0.5% RDX) to δ phase has been studied for over twenty years and more recently with an high-contrast optical second harmonic generation technique. Shock studies of the plastic binder composites of HMX have indicated that the transition is perhaps irreversible, a result that concurs with the static pressure results published by F. Goetz et al. [1] in 1978. However, the stability field favors the β polymorph over δ as pressure is increased (up to 5.4 GPa) along any thermodynamically reasonable isotherm. In this experiment, strict control of pressure and temperature is maintained while x-ray and optical diagnostics are applied to monitor the conformational dynamics of HMX. Unlike the temperature induced β→δ transition, the pressure induced is heterogeneous in nature. The 1 bar 25 °C δ→β transition is not immediate, occuring over tens of hours. Transition points and kinetics are path dependent and consequently this paper describes our work in progress.

  20. TNT, RDX, and HMX decrease earthworm (Eisenia andrei) life-cycle responses in a spiked natural forest soil.

    PubMed

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

    2002-11-01

    Sublethal and chronic toxicities of 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) on earthworm Eisenia andrei in a sandy forest soil were assessed. Various reproduction parameters of fecundity (total and hatched number of cocoons, number of juveniles, and their biomass) were significantly decreased by TNT (> or = 58.8 +/- 5.1 mg/kg dry soil), RDX (> or = 46.7 +/- 2.6 mg/kg), and HMX (> or = 15.6 +/- 4.6 mg/kg). These effects occurred at much lower concentrations than those reported earlier using artificial soil preparations. Growth of adults was significantly decreased in the TNT-spiked natural soils at 136.2 +/- 25.6 mg/kg dry soil, the highest concentration having no significant mortality. In contrast, survival and growth were not significantly reduced at relatively high measured concentrations of RDX (167.3 mg/kg) and HMX (711.0 mg/kg). Although TNT, RDX, and HMX share a common life-cycle response ( i.e., decreased juvenile counts), a number of differences related to other reproduction parameters (e.g., productivity of cocoons) was observed. These results indicate that the tested explosives do not support a common mechanism of toxicity, at least in the earthworm, probably due to differences in their physical-chemical properties as well as metabolites formed during exposure.

  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. 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.

  3. 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.

  4. COMPACTION WAVE PROFILES IN GRANULAR HMX

    SciTech Connect

    R. MENIKOFF

    2001-06-01

    Meso-scale simulations of a compaction wave in a granular bed of HMX have been performed. The grains are fully resolved in order that the change in porosity across the wave front is determined by the elastic-plastic response of the grains rather than an empirical law for the porosity as a function of pressure. Numerical wave profiles of the pressure and velocity are compared with data from a gas gun experiment. The experiment used an initial porosity of 36%, and the wave had a pressure comparable to the yield strength of the grains. The profiles are measured at the front and back of the granular bed. The transit time for the wave to travel between the gauges together with the Hugoniot jump conditions determines the porosity behind the wave front. In the simulations the porosity is determined by the yield strength and stress concentrations at the contact between grains. The value of the yield strength needed to match the experiment is discussed. Analysis of the impedance match of the wave at the back gauge indicates that the compaction wave triggers a small amount of burn, less than 1% mass fraction, on the micro-second time scale of the experiment.

  5. Compaction wave profiles in granular HMX

    SciTech Connect

    Menikoff, Ralph

    2001-01-01

    Meso-scale simulations of a compaction wave in a granular bed of HMX have been performed. The grains are fully resolved in order that the change in porosity across the wave front is determined by the elastic-plastic response of the grains rather than an empirical law for the porosity as a function of pressure. Numerical wave profiles of the pressure and velocity are compared with data from a gas gun experiment. The experiment used an initial porosity of 36%, and the wave had a pressure comparable to the yield strength of the grains. The profiles are measured at the front and back of the granular bed. The transit time for the wave to travel between the gauges together with the Hugoniot jump conditions determines the porosity behind the wave front. In the simulations the porosity is determined by the yield strength and stress concentrations at the contact between grains. The value of the yield strength needed to match the experiment is discussed. Analysis of the impedance match of the wave at the back gauge indicates that the compaction wave triggers a small amount of burn, less than 1% mass fraction, on the micro-second time scale of the experiment.

  6. 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.

  7. Microstructural characterization of pressed HMX material sets at differing densities

    NASA Astrophysics Data System (ADS)

    Molek, C. D.; Welle, E. J.; Wixom, R. R.; Ritchey, M. B.; Samuels, P.; Horie, Y.

    2017-01-01

    The detonation physics community has embraced the idea that initiation of high explosives (HE) proceeds from an ignition event through subsequent growth to steady detonation. A weakness of all the commonly used ignition and growth models is the microstructural characteristics of the HE are not explicitly incorporated in their ignition and growth terms. This is the case in spite of a demonstrated, but not well-understood, empirical link between particle morphology and initiation of HE. Morphological effects have been parametrically studied in many ways, the majority of efforts focus 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 initiation behavior. In this work, we have characterized the microstructures of two HMX classes pressed at three densities using ion bombardment techniques. We find more significant compaction associated with the larger crystalline material - Class 3 - than the smaller fluid energy milled material. The Class 3 material exhibits evidence of crystal cracking. Finally, we discuss this evidence and our attempt to correlate microstructural features to observed changes in continuum level initiation behavior.

  8. Microstructural Effects on the Ignition Behavior of Various HMX Materials

    NASA Astrophysics Data System (ADS)

    Welle, Eric

    2013-06-01

    The detonation physics community has embraced the idea that initiation of high explosives proceeds from an ignition event through subsequent growth to steady detonation. This construct is the basis for the well-known Lee-Tarver reactive flow model. A weakness of all the commonly used ignition and growth models is that microstructural characteristics are not explicitly incorporated in their ignition 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 consolidated material. More recently, there has been a shift toward characterizing the microstructure of consolidated materials in order to understand the underlying mechanisms governing performance. We have assessed the utility of using the James' Ignition model as a tool to quantify effects of bed microstructure on ignition behavior. We have studied the ignition behavior of four types of HMX materials ranging from fine particle fluid energy milled to course particle material. We will also report characterization of the pressed microstructure of each of the various materials and discuss how the measured ignition behavior may have been influenced. DISTRIBUTION A. Approved for public release, distribution unlimited. (96ABW-2013-0063) R.R. Wixom, Sandia National Laboratories/Explosives Technologies Group; C. Molek, Air Force Research Laboratory/Munitions Directorate; and P. Samuels, Army Research Development and Engineering Center/Picatinny Arsenal.

  9. Pore collapse and hot spots in HMX

    SciTech Connect

    Menikoff, Ralph

    2003-01-01

    The computing power now available has led researchers to reconsider mesoscale simulations as a means to develop a detailed understanding of detonation waves in a heterogeneous explosive. Since chemical reaction rates are sensitive to temperature, hot spots are of critical importance for initiation. In a plastic-bonded explosive, shock desensitization experiments imply that hot spots generated by pore collapse dominate shock initiation. Here, for the collapse of a single pore driven by a shock, the dependence of the temperature distribution on numerical resolution and dissipative mechanism i s investigated. An inert material (with the constibtive properties of HMX) is used to better focus on the mechanics of pore collapse. ' h o important findings resulted from this study. Eust, too low a resolution can significantly enhance the hot-spot mass. Second, at even moderate piston velocities (< 1W s),s hock dissipation alone does not generate sufficient hot-spot mass. ' b oo ther dissipative mechanism investigated are plastic work and viscous heating. In the cases studied, the integrated lempera!xre distribution has a power-law tail with exponent related to a parameter with dimensions of viscosity. For a particular case, the parameter of either dissipative mechanism can be fit to obtain quantitatively the hot-spot mass needed for initiation. But the dissipative mechanisms scale differently with shock strength and pore size. Consequently, to predict initiation behavior over a range of stimuli and as the micro-stmcture properties of a PBX am varied, sufficient numerical resolution and the correct physical dissipative mechanism are essential.

  10. Excitation energies of electrons in molecules & crystals of PETN, RDX, HMX, and TATB

    NASA Astrophysics Data System (ADS)

    Mukhanov, Andrei; Stegailov, Vladimir

    2013-06-01

    The key role in the model of detonation based on metallization of explosive plays the fundamental band gap of molecular crystal. For determining it in shocked crystal we performed prerequisite calculations for ideal PETN, RDX, HMX and TATB at ambient conditions. Density of states for these explosives was obtained and fundamental gap was determined. Calculations were done within the framework of Density Functional Theory and its planewave and pseudopotential implementation in the ABINIT package. Beside we determined excitation energies of electrons for isolated molecules of these explosives and compared it with fundamental gaps for crystals.

  11. 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.

  12. Theoretical study of β-HMX decomposition mechanism of the solid phase under shock loadings

    NASA Astrophysics Data System (ADS)

    Ji, Guangfu; Ge, Nina; Chen, Xiangrong

    2015-06-01

    Study material properties under extreme conditions is a fundamental problem in the field of condensed matter physics. The decomposition mechanisms of energetic materials under the shock wave become a hot topic in recent years. In this paper, molecular dynamics simulations combined with multi-scale shock technology (MSST) are used to study the decomposition mechanism, shock sensitivity and electronic structure of β-HMX. First, the decomposition mechanism of β-HMX perfect crystal were studied at different shock speeds. We found that when the shock wave at a speed 8 km / s is loaded, the decomposition reaction start at N-NO2 bond breakage; when the shock wave at a speed of 10 km / s and 11 km / s is loaded, the the first decomposition reaction is CH bond breaking, and accompanied by the formation of five-membered ring and transfer of hydrogen ions. The simulation results also show that when the shock wave velocity is increased, the higher the pressure generated in the high-pressure N-NO2 bond cleavage was inhibited significantly. Secondly, the impact of its initial chemical reaction process along different crystal axis directions were studied, the results showed that along the a-axis and c-axis shock sensitivity is higher, and along the b-axis sensitivity is lower. We believe that the system of all sensitivity of direction is due to the rotation of the friction between the slip plane of crystals and molecules. Finally, we discussed the solid phase β-HMX electronic properties change under the shock wave loadings. We found that in the 11 km/s under the impact load, when the pressure reaches 130 GPa, zero bandgap is reached.

  13. 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).

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

    NASA Astrophysics Data System (ADS)

    Tringe, Joseph W.; Vandersall, Kevin S.; Reaugh, John E.; Levie, Harold W.; Henson, Bryan F.; Smilowitz, Laura B.; Parker, Gary R.

    2017-01-01

    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 by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a more 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.

  15. 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.

  16. Comparative analysis of decomposition reactions in gaseous and crystalline β-HMX

    NASA Astrophysics Data System (ADS)

    Sharia, Onise; Kuklja, Maija

    2011-06-01

    Most quantum chemical studies focus on determining reaction paths and reaction barriers. We will illustrate that knowing only those parameters is insufficient for finding the dominant mechanism. One needs to calculate both the activation barriers and the reaction rates. We present a density functional theory based modeling of several possible detonation initiation reactions in HMX, including its gas phase, a perfect crystal, and a crystal containing vacancies, voids or internal surfaces. We show that the N-NO2 homolysis is the most favorable decomposition reaction in the gas phase. In the crystalline phase, this reaction has a higher activation barrier and becomes much slower due to the densely packed structure of HMX. As a result, two other reactions, the HONO elimination and NONO rearrangement, would compete with the N-NO2 homolysis in an ideal crystal. Practical samples however contain a lot of imperfections hence we also studied an effect of voids on the chemical decomposition. We established that a large space in the vicinity of voids facilitates the N-NO2 break, and, similarly to the gas phase, the N-NO2 reaction proceeds with the highest rate. The conclusions and revealed trends help to provide a consistent interpretation to experimental data.

  17. Common explosives (TNT, RDX, HMX) and their fate in the environment: Emphasizing bioremediation.

    PubMed

    Chatterjee, Soumya; Deb, Utsab; Datta, Sibnarayan; Walther, Clemens; Gupta, Dharmendra K

    2017-10-01

    Explosive materials are energetic substances, when released into the environment, contaminate by posing toxic hazards to environment and biota. Throughout the world, soils are contaminated by such contaminants either due to manufacturing operations, military activities, conflicts of different levels, open burning/open detonation (OB/OD), dumping of munitions etc. Among different forms of chemical explosives, 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 most common. These explosives are highly toxic as USEPA has recommended restrictions for lifetime contact through drinking water. Although, there are several utilitarian aspects in anthropogenic activities, however, effective remediation of explosives is very important. This review article emphasizes the details of appropriate practices to ameliorate the contamination. Critical evaluation has also been made to encompass the recent knowledge and advancement about bioremediation and phytoremediation of explosives (especially TNT, RDX and HMX) along with the molecular mechanisms of biodegradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. 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. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. Structures, mechanical properties, equations of state, and electronic properties of β-HMX under hydrostatic pressures: a DFT-D2 study.

    PubMed

    Peng, Qing; Rahul; Wang, Guangyu; Liu, Gui-Rong; De, Suvranu

    2014-10-07

    We report the hydrostatic compression studies of the β-polymorph of a cyclotetramethylene tetranitramine (HMX) energetic molecular crystal using DFT-D2, a first-principles calculation based on density functional theory (DFT) with van der Waals (vdW) corrections. The molecular structure, mechanical properties, electronic properties, and equations of state of β-HMX are investigated. For the first time, we predict the elastic constants of β-HMX using DFT-D2 studies. The equations of state under hydrostatic compression are studied for pressures up to 100 GPa. We found that the N-N bonds along the minor axis are responsible for the sensitivity of β-HMX. The analysis of the charge distribution shows that the electronic charge is transferred from hydrogen atoms to nitro groups with the amount of 0.131 and 0.064e for the nitro groups along the minor axis and major axis, respectively, when pressure changes from 0 GPa to 100 GPa. The electronic energy band gap changes from direct at a pressure of 0 GPa to indirect at a pressure of 50 GPa and higher. The band gap decreases with respect to an increase in pressure, implying that the impact sensitivity increases with compression. Our study suggests that the van der Waals interactions are critically important in modeling the mechanical properties of this molecular crystal.

  20. 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.

  1. 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

  2. Degradation kinetics and mechanism of RDX and HMX in TiO2 photocatalysis.

    PubMed

    Choi, J K; Son, H S; Kim, T S; Stenstrom, M K; Zoh, K D

    2006-02-01

    This study was undertaken to examine the photocatalytic degradation of explosives hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) with a circular photocatalytic reactor, using a UV lamp as a light source and TiO2 as a photocatalyst. The effects of various parameters, such as the RDX or HMX concentration, the amount of TiO, and the initial pH, on the photocatalytic degradation rates of explosives were examined. In the presence of both UV light and TiO2 RDX and HMX were more effectively degraded than with either UV or TiO2 alone. The degradation rates were found to obey pseudo-first-order kinetics represented by the Langmuir-Hinshelwood model. Increases in the RDX and HMX degradation rates were obtained with decreasing initial concentrations of the explosives. The RDX and HMX degradation rates were higher at pH 7 than at either pH 3 or pH 11. A dose of approximately 0.7 g l(-1) of TiO2 degraded HMX more rapidly than did higher or lower TiO2 doses. RDX (20 mg l(-1)) photocatalysis resulted in an approximately 20% decrease in TOC, and HMX (5 mg l(-1)) photocatalysis resulted in a 60%, decrease in TOC within 150 minutes. A trace amount of formate was produced as an intermediate that was further mineralized by RDX or HMX photocatalysis. The nitrogen byproducts from the photocatalysis of RDX and HMX were mainly NO3- with NO2-, and NH4+. The total nitrogen recovery was about 60% from RDX (20 mg l(-1)), and 70% from HMX (5 mg l(-1)), respectively. Finally, a mechanism for RDX/HMX photocatalysis was proposed, along with supporting qualitative and quantitative evidence.

  3. Growth and dislocation studies of β-HMX.

    PubMed

    Gallagher, Hugh G; Sherwood, John N; Vrcelj, Ranko M

    2014-01-01

    The defect structure of organic materials is important as it plays a major role in their crystal growth properties. It also can play a subcritical role in "hot-spot" detonation processes of energetics and one such energetic is cyclotetramethylene-tetranitramine, in the commonly used beta form (β-HMX). The as-grown crystals grown by evaporation from acetone show prismatic, tabular and columnar habits, all with {011}, {110}, (010) and (101) faces. Etching on (010) surfaces revealed three different types of etch pits, two of which could be identified with either pure screw or pure edge dislocations, the third is shown to be an artifact of the twinning process that this material undergoes. Examination of the {011} and {110} surfaces show only one type of etch pit on each surface; however their natural asymmetry precludes the easy identification of their Burgers vector or dislocation type. Etching of cleaved {011} surfaces demonstrates that the etch pits can be associated with line dislocations. All dislocations appear randomly on the crystal surfaces and do not form alignments characteristic of mechanical deformation by dislocation slip. Crystals of β-HMX grown from acetone show good morphological agreement with that predicted by modelling, with three distinct crystal habits observed depending upon the supersaturation of the growth solution. Prismatic habit was favoured at low supersaturation, while tabular and columnar crystals were predominant at higher super saturations. The twin plane in β-HMX was identified as a (101) reflection plane. The low plasticity of β-HMX is shown by the lack of etch pit alignments corresponding to mechanically induced dislocation arrays. On untwinned {010} faces, two types of dislocations exist, pure edge dislocations with b = [010] and pure screw dislocations with b = [010]. On twinned (010) faces, a third dislocation type exists and it is proposed that these pits are associated with pure screw dislocations with b = [010

  4. Mechanism of Xanthine Oxidase Catalyzed Biotransformation of HMX Under Anaerobic Conditions

    DTIC Science & Technology

    2003-01-01

    xanthine. The nitrite mediated inhibition of HMX biotransformation was determined by assaying the XO against HMX in the presence of increasing NaNO2 ...Anal. Chem. 338 (1990) 41–45. [2] C.A. Myler, W. Sisk, in: G.S. Sayler, R. Fox, J.W. Blackburn (Eds.), Environmental Biotechnology for Waste Treatment

  5. 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.

  6. 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.

  7. The Thermal and Microstructural Effect of Plasticizing HMX-Nitrocellulose Composites

    DOE PAGES

    Yeager, John David; Watkins, Erik Benjamin; Duque, Amanda Lynn; ...

    2017-03-15

    Thermal ignition via self-heating (cook-off) of cyclotetramethylene-tetranitramine (HMX)-containing plastic-bonded explosives (PBXs) is driven by the β → δ phase transition in the HMX, which is affected if not dominated by microstructure. Here, we studied the HMX-binder interface and phase transition for several variations of PBX 9404 (HMX with plasticized nitrocellulose [NC] binder). Neutron reflectometry was used to examine the interface under several conditions—pristine, after aging, and after thermal treatment. The initial interfacial structure depended on the plasticizer, but the interface homogenized over time. Thermal and optical analyses showed that all formulated materials had higher transition temperatures than neat HMX. Thismore » effect increased with NC content.« less

  8. 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.

  9. Nitrogen Nuclear Quadrupole Interactions in RDX, β-HMX and Cocaine Systems

    NASA Astrophysics Data System (ADS)

    Pati, Ranjit; Das, T. P.; Sahoo, N.; Ray, S. N.

    1997-03-01

    Using the Hartree-Fock-Roothaan procedure, the nuclear quadrupole interactions (NQI) of the 14N (I = 1) nucleus in the energetically important molecules RDX, β-HMX and the physiologically important molecule Cocaine, are studied. The coupling constants (e2 q Q) and asymmetry parameters (η) for the three ring nitrogens in RDX are found to be -5.671, -5.808 and -5.838 MHz and 0.542, 0.556 and 0.562, respectively, in good quantitative agreement with the experimental results of 5.735, 5.799 and 5.604 MHz for the magnitudes of e2qQ and 0.6215, 0.6146 and 0.6024 for η obtained in the single crystal. For β-HMX, where two sets of e2 q Q and η are expected from symmetry considerations, our calculated values are -5.936 and -6.069 MHz for e2 q Q and 0.432 and 0.490 for η , compared to experimentally measured magnitudes of 5.791 and 6.025 MHz and η-values of 0.4977 and 0.5180, respectively, obtained in the single crystal. For Cocaine free base which contains only one 14N nucleus, our calculated values of e2 qQ and η are -5.038 MHz and 0.067, in very good agreement with the experimental results of 5.0229 MHz for the magnitude of e2 q Q and 0.0395 for η. Possible reasons for the small remaining differences between theory and experiment in e2 q Q and η for all three systems and the significant differences in trends over the three nitrogens in RDX between theory and experiment are discussed. Also, the calculated quadrupole interaction parameters for the 14N nuclei in the NO2 groups outside the ring for both RDX and β-HMX are presented with the hope that they will be measured in the future to provide a more complete understanding of the electron distributions in these systems.

  10. DDT Behavior of Waxed Mixtures of RDX, HMX, and Tetryl

    DTIC Science & Technology

    1977-10-18

    NSWC/WOL TR 77-96 O DDT BEHAVIOR OF WAXED MIXTURES OF " RDX, HMX, AND TETRYL BY DONNA PRICE and RICHARD R. BERNECKER RESEARCH AND TECHNOLOGY...50.95 mm OD) with heavy end closures was used. A B/ KNO3 ignitor (1) was used to ignite one end of the 295.4 mm explosive column. Charge loading, tube...data reduction are also as in reference 1 with the modification for strain gages given in reference 2. I. R. R. Bernecker and D. Price , "Transition

  11. Deflagration to Detonation Transition Behavior of Aluminized HMX

    DTIC Science & Technology

    1979-06-04

    NSWC TR 79-119 tLN DEFLAG RATION TO DETONATION TRANSITION BEHAVIOR OF ALUMINIZED HMX BY DONNA PRICE A. R. CLAIRMONT, JR 0 RESEARCH AND TECHNOLOGY...Detonation of Solid Explosives," J. Chem. Soc., 4154, 1960. 3Bernecker, R. R. and Price , D., "Studies in the Transition from Deflagration to Detonation in...Laboratory TR 74-186. 4 NSWC TR 79-119 tube with heavy end closures. The column length of the 0.35 g of 25/75 B/ KNO3 ignitor is 6.3 mm; the length of

  12. Stress-time profiles in low density HMX

    SciTech Connect

    Dick, J.J.

    1987-09-01

    Stress-time profiles were measured in initiating HMX explosive (cyclotetramethylene tetranitramine) at a density of 1.24 g/cm/sup 3/ (35% voids) using manganin gauges. Initial stress in the explosive was 0.8 GPa. The profiles show development of a reactive peak at the shock. This is different character than that seen in full density explosives. This behavior along with earlier observation of this explosive can be understood in a consistent manner using simple models of shock initiation of detonation.

  13. HMX: 14 Day Toxicity in Mice by Dietary Administration

    DTIC Science & Technology

    1985-07-30

    i Nitrite LT 0.01 Non-carbonate 15 Ammoniacal Nitrogen 0.10 Alkalinity as CaCO3 60 Albuminod Nitrogen LT .01 Permanganate value -..... 21 C 0.55 Free...study is not indi- vidually inspected. The processes involved are inspected at K 1 intervals according to a pre-determined schedule. This report has...water effluent from the manufacturing processes for RDX and HMX. This report describes a 14 day dietary study in mice conducted "to set dose levels

  14. 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.

  15. 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.

  16. 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

  17. Mouse H6 Homeobox 1 (Hmx1) mutations cause cranial abnormalities and reduced body mass

    PubMed Central

    Munroe, Robert J; Prabhu, Vinay; Acland, Greg M; Johnson, Kenneth R; Harris, Belinda S; O'Brien, Tim P; Welsh, Ian C; Noden, Drew M; Schimenti, John C

    2009-01-01

    Background The H6 homeobox genes Hmx1, Hmx2, and Hmx3 (also known as Nkx5-3; Nkx5-2 and Nkx5-1, respectively), compose a family within the NKL subclass of the ANTP class of homeobox genes. Hmx gene family expression is mostly limited to sensory organs, branchial (pharyngeal) arches, and the rostral part of the central nervous system. Targeted mutation of either Hmx2 or Hmx3 in mice disrupts the vestibular system. These tandemly duplicated genes have functional overlap as indicated by the loss of the entire vestibular system in double mutants. Mutants have not been described for Hmx1, the most divergent of the family. Results Dumbo (dmbo) is a semi-lethal mouse mutation that was recovered in a forward genetic mutagenesis screen. Mutants exhibit enlarged ear pinnae with a distinctive ventrolateral shift. Here, we report on the basis of this phenotype and other abnormalities in the mutant, and identify the causative mutation as being an allele of Hmx1. Examination of dumbo skulls revealed only subtle changes in cranial bone morphology, namely hyperplasia of the gonial bone and irregularities along the caudal border of the squamous temporal bone. Other nearby otic structures were unaffected. The semilethality of dmbo/dmbo mice was found to be ~40%, occured perinatally, and was associated with exencephaly. Surviving mutants of both sexes exhibited reduced body mass from ~3 days postpartum onwards. Most dumbo adults were microphthalmic. Recombinant animals and specific deletion-bearing mice were used to map the dumbo mutation to a 1.8 Mb region on Chromosome 5. DNA sequencing of genes in this region revealed a nonsense mutation in the first exon of H6 Homeobox 1 (Hmx1; also Nkx5-3). An independent spontaneous allele called misplaced ears (mpe) was also identified, confirming Hmx1 as the responsible mutant gene. Conclusion The divergence of Hmx1 from its paralogs is reflected by different and diverse developmental roles exclusive of vestibular involvement. Additionally

  18. Porous HMX initiation studies{emdash}sugar as an inert simulant

    SciTech Connect

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

    1998-07-01

    For several years we have been using magnetic particle velocity gauges to study the shock loading of porous HMX (65 and 73{percent} 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 & H granulated sugar is similar to the coarse HMX we have been using (120 {mu}m average size), 2) the particle size of C & H confectioners (powdered) sugar is similar to the fine HMX in the studies (10 {mu}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, we chose to do the experiments on sugar compacts at 65 and 73{percent} 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 be the result of fracto-emission. {copyright} {ital 1998 American Institute of Physics.}

  19. Raman Spectroscopic and Ultrasonic Measurements to Monitor the HMX ( ) Phase Transition

    SciTech Connect

    GIESKE,JOHN H.; MILLER,JILL C.; RENLUND,ANITA M.; TAPPAN,ALEXANDER S.

    1999-10-14

    The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is clearly 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 a predictive safety model for HMX and HMX-containing EMs. We report work in progress on monitoring the phase transition with real-time Raman spectroscopy and ultrasonic measurements aimed towards a better understanding of physical properties through the phase transition. HMX samples were confined with minimal free volume.in a cell with constant volume. The cell was heated at a controlled rate and real-time Raman spectroscopic or ultrasonic measurements were performed. Raman spectroscopy provides a clear distinction between the two phases because the vibrational transitions of the molecule change with confirmational changes associated with the phase transition. Ultrasonic time-of-flight measurements provide an additional method of distinguishing the two phases because the sound speed through the material changes with the phase transition. Ultrasonic attenuation measurements also provide information about microstructural changes such as increased porosity due to evolution of gaseous decomposition products.

  20. Systematic study of the reaction kinetics for HMX.

    PubMed

    Long, Yao; Chen, Jun

    2015-05-07

    The reaction process of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in wide temperature and pressure ranges is simulated by molecular dynamics. A set of postprocessing programs is written to evaluate the intermediate molecules and chemical reactions. On the basis of these evaluations, the reaction rates, reactive Hugoniot curves, and detonation wave profile are calculated. The detonation velocity and detonation pressure are determined as 9984 m/s and 38.3349 GPa, in agreement with the experimental results, 9110 m/s and 39.5 GPa. The width of the reaction zone is 10 μm, and the main products are N2, H2O, and CO2. We find some molecules play an important role in intermediate reactions but are not exhibited in final products, such as N2O2, N2O5, and C3H3N3.

  1. Borohydride Catalysis of Nitramine Thermal Decomposition and Combustion. 2. Thermal Decomposition of Catalyzed and Uncatalyzed HMX Propellant Formulations

    DTIC Science & Technology

    1990-02-01

    decomposition temperature. Aaded catalyst appears to decrease m/e 70 (1,2,4- oxadiazole ?) formation at low temperature, but to increase it slightly at...Unknown A (1,2,4- oxadiazole ?), from HMX Decomposition......................................................... 17 18 Typical Mass Spectrum of...formation of 1,3,5-triazine and Unknown A (1,2,4- oxadiazole ?) were also studied. II. EXPERIMENTAL The HMX-GAP and HMX-PEG compositions were prepared at

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

    PubMed Central

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

    2012-01-01

    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. PMID:22537498

  3. 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. Copyright © 2012 Elsevier Inc. All rights reserved.

  4. 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

  5. The growth and perfection of β-cyclotetramethylene-tetranitramine (HMX) studied by laboratory and synchrotron X-ray topography

    NASA Astrophysics Data System (ADS)

    Gallagher, H. G.; Sherwood, J. N.; Vrcelj, R. M.

    2017-10-01

    An examination has been made of the defect structure of crystals of the energetic material β-cyclotetramethylene-tetranitramine (HMX) using both Laboratory (Lang method) and Synchrotron (Bragg Reflection and Laue method) techniques. The results of the three methods are compared with particular attention to the influence of potential radiation damage caused to the samples by the latter, more energetic, technique. The comparison shows that both techniques can be confidently used to evaluate the defect structures yielding closely similar results. The results show that, even under the relatively casual preparative methods used (slow evaporation of unstirred solutions at constant temperature), HMX crystals of high perfection can be produced. The crystals show well defined bulk defect structures characteristic of organic materials in general: growth dislocations, twins, growth sector boundaries, growth banding and solvent inclusions. The distribution of the defects in specific samples is correlated with the morphological variation of the grown crystals. The results show promise for the further evaluation and characterisation of the structure and properties of dislocations and other defects and their involvement in mechanical and energetic processes in this material.

  6. Preparation and catalytic activities of LaFeO3 and Fe2O3 for HMX thermal decomposition.

    PubMed

    Wei, Zhi-Xian; Xu, Yan-Qing; Liu, Hai-Yan; Hu, Chang-Wen

    2009-06-15

    Perovskite-type LaFeO(3) and alpha-Fe(2)O(3) with high specific surface areas were directly prepared with appropriate stearic acid-nitrates ratios by a novel stearic acid solution combustion method. The obtained powders were characterized by XRD, FT-IR and XPS techniques. The catalytic activities of perovskite-type LaFeO(3) and alpha-Fe(2)O(3) for the thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) were investigated by TG and TG-EGA techniques. The experimental results show that the catalytic activity of perovskite-type LaFeO(3) was much higher than that of alpha-Fe(2)O(3) because of higher concentration of surface-adsorbed oxygen (O(ad)) and hydroxyl of LaFeO(3). The study points out a potential way to develop new and more active perovskite-type catalysts for the HMX thermal decomposition.

  7. 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

  8. 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.

  9. Fenton oxidation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

    PubMed

    Zoh, Kyung-Duk; Stenstrom, Michael K

    2002-03-01

    Oxidation of the high explosives hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1.3,5,7-tetrazocine (HMX) using Fenton's reagent proceeds rapidly between 20 degrees C and 50 degrees C at pH 3. At an H2O2: Fe2+: RDX molar ratio of 5,178: 48: 1, RDX and HMX were completely removed in 1 to 2 h. All the experimental data could be fit to a pseudo first-order rate equation. The reaction rate was also strongly dependent on Fenton's reagent concentrations. NO3- and N2 were identified as nitrogen byproducts from RDX and HMX oxidation. The experiment with radiolabeled RDX showed that approximately 37% of organic carbon in RDX was mineralized to CO2. We observed formaldehyde and formic acid as a short-lived intermediate. No other volatile or nonvolatile byproducts were found from GC/MS analysis. The results show that RDX and HMX can be effectively mineralized with Fenton's reagents.

  10. Leaching of contaminated leaves following uptake and phytoremediation of RDX, HMX, and TNT by poplar.

    PubMed

    Yoon, Jong Moon; Van Aken, Benoit; Schnoor, Jerald L

    2006-01-01

    The uptake and fate of 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) by hybrid poplars in hydroponic systems were compared and exposed leaves were leached with water to simulate potential exposure pathways from groundwater in the field. TNT was removed from solution more quickly than nitramine explosives. Most of radioactivity remained in root tissues for 14C-TNT, but in leaves for 14C-RDX and 14C-HMX. Radiolabel recovery for TNT and HMX was over 94%, but that of RDX decreased over time, suggesting a loss of volatile products. A considerable fraction (45.5%) of radioactivity taken up by whole plants exposed to 14C-HMX was released into deionized water, mostly as parent compound after 5 d of leaching. About a quarter (24.0%) and 1.2% were leached for RDX and TNT, respectively, mostly as transformed products. Leached radioactivity from roots was insignificant in all cases (< 2%). This is the first report in which small amounts of transformation products of RDX leach from dried leaves following uptake by poplars. Such behavior for HMX was reported earlier and is reconfirmed here. All three compounds differ substantially in their fate and transport during the leaching process.

  11. Molecular dynamics simulations of AP/HMX composite with a modified force field.

    PubMed

    Zhu, Wei; Wang, Xijun; Xiao, Jijun; Zhu, Weihua; Sun, Huai; Xiao, Heming

    2009-08-15

    An all-atom force field for ammonium perchlorate (AP) is developed with the framework of pcff force field. The structural parameters of AP obtained with the modified force field are in good agreement with experimental values. Molecular dynamics (MD) simulations have been performed to investigate AP/HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) composite at different temperatures. The binding energies, thermal expansion coefficient, and the trigger bond lengths of HMX in the AP/HMX composite have been obtained. The binding energies of the system increase slightly with temperature increasing, peak at 245K, and then gradually decrease. The volume thermal expansion coefficient of the AP/HMX composite has been derived from the volume variation with temperature. As the temperature rises, the maximal lengths of the trigger bond N-NO(2) of HMX increase gradually. The simulated results indicate that the maximal length of trigger bond can be used as a criterion for judging the sensitivity of energetic composite.

  12. 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.

  13. Theoretical insight into the solvent effect of H2O and formamide on the cooperativity effect in HMX complex.

    PubMed

    Meng, Rui-Hong; Cao, Xiong; Hu, Shuang-Qi; Hu, Li-Shuang

    2017-08-01

    The cooperativity effects of the H-bonding interactions in HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane)∙∙∙HMX∙∙∙FA (formamide), HMX∙∙∙HMX∙∙∙H2O and HMX∙∙∙HMX∙∙∙HMX complexes involving the chair and chair-chair HMX are investigated by using the ONIOM2 (CAM-B3LYP/6-31++G(d,p):PM3) and ONIOM2 (M06-2X/6-31++G(d,p):PM3) methods. The solvent effect of FA or H2O on the cooperativity effect in HMX∙∙∙HMX∙∙∙HMX are evaluated by the integral equation formalism polarized continuum model. The results show that the cooperativity and anti-cooperativity effects are not notable in all the systems. Although the effect of solvation on the binding energy of ternary system HMX∙∙∙HMX∙∙∙HMX is not large, that on the cooperativity of H-bonds is notable, which leads to the mutually strengthened H-bonding interaction in solution. This is perhaps the reason for the formation of different conformation of HMX in different solvent. Surface electrostatic potential and reduced density gradient are used to reveal the nature of the solvent effect on cooperativity effect in HMX∙∙∙HMX∙∙∙HMX. Graphical abstract RDG isosurface and electrostatic potential surface of HMX∙∙∙HMX∙∙∙HMX.

  14. 4-Aminothiophenol functionalized gold nanoparticle-based colorimetric sensor for the determination of nitramine energetic materials.

    PubMed

    Üzer, Ayşem; Can, Ziya; Akın, Ilknur; Erçağ, Erol; Apak, Reşat

    2014-01-07

    The heterocyclic nitramine compounds, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), are two most important military-purpose high explosives. Differentiation of RDX and HMX with colorimetric methods of determination has not yet been made because of their similar chemical structures. In this study, a sensitive colorimetric method for the determination of RDX and HMX was proposed on the basis of differential kinetics in the hydrolysis of the two compounds (yielding nitrite as a product) followed by their colorimetric determination using 4-aminothiophenol (4-ATP) modified gold nanoparticles (AuNPs) and naphthylethylene diamine (NED) as coupling agent for azo-dye formation, abbreviated as "4-ATP-AuNP+NED" colorimetric method. After alkaline hydrolysis in a 1 M Na2CO3 + 0.04 M NaOH mixture solution at room temperature, only RDX (but not HMX) was hydrolyzed to give a sufficient colorimetric response in neutralized solution, the molar absorptivity (ε) at 565 nm and the limit of detection (LOD) for RDX being (17.6 ± 1.3) × 10(3) L mol(-1) cm(-1) and 0.55 μg mL(-1), respectively. On the other hand, hot water bath (at 60 °C) hydrolysis enabled both nitramines, RDX and HMX, to give substantial colorimetric responses; i.e., ε and LOD for RDX were (32.8 ± 0.5) × 10(3) L mol(-1)cm(-1) and 0.20 μg mL(-1) and for HMX were (37.1 ± 2.8) × 10(3) L mol(-1)cm(-1) and 0.24 μg mL(-1), respectively. Unlike other AuNP-based nitrite sensors in the literature showing absorbance quenching within a relatively narrow concentration range, the developed sensor operated with an absorbance increase over a wide range of nitrite. Synthetic mixtures of (RDX + HMX) gave additive responses, and the proposed method was statistically validated against HPLC using nitramine mixtures.

  15. Analysis of compaction shock interactions during DDT of low density HMX

    NASA Astrophysics Data System (ADS)

    Rao, Pratap T.; Gonthier, Keith A.

    2017-01-01

    Deflagration-to-Detonation Transition (DDT) in confined, low density granular HMX occurs by a complex mechanism that involves compaction shock interactions within the material. Piston driven DDT experiments indicate that detonation is abruptly triggered by the interaction of a strong combustion-supported secondary shock and a piston-supported primary (input) shock, where the nature of the interaction depends on initial packing density and primary shock strength. These interactions influence transition by affecting dissipative heating within the microstructure during pore collapse. 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 the initial density, and the primary and secondary shock strengths. This information is used to formulate an ignition and burn model for low density HMX that accounts for the effect of shock densensitization on burn. Preliminary DDT predictions are presented that illustrate how primary shock strength affects the transition mechanism.

  16. 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.

  17. Evaluation of Aluminum Participation in the Development of Reactive Waves in Shock Compressed HMX

    SciTech Connect

    Pahl, R. J.; Trott, W. M.; Snedigar, S.; Castaneda, J. N.

    2006-07-28

    A series of gas gun tests has been performed to examine contributions to energy release from micron-sized and nanometric aluminum powder added to sieved (212-300{mu}m) HMX. In the absence of added metal, 4-mm-thick, low-density (64-68% of theoretical maximum density) pressings of the sieved HMX respond to modest shock loading by developing distinctive reactive waves that exhibit both temporal and mesoscale spatial fluctuations. Parallel tests have been performed on samples containing 10% (by mass) aluminum in two particle sizes: 2-{mu}m and 123-nm mean particle diameter, respectively. The finely dispersed aluminum initially suppresses wave growth from HMX reactions; however, after a visible induction period, the added metal drives rapid increases in the transmitted wave particle velocity. Wave profile variations as a function of the aluminum particle diameter are discussed.

  18. Evaluation of aluminum participation in the development of reactive waves in shock compressed HMX.

    SciTech Connect

    Castaneda, Jaime N.; Pahl, Robert J.; Snedigar, Shane; Trott, Wayne Merle

    2005-07-01

    A series of gas gun tests has been performed to examine contributions to energy release from micron-sized and nanometric aluminum powder added to sieved (212-300{micro}m) HMX. In the absence of added metal, 4-mm-thick, low-density (64-68% of theoretical maximum density) pressings of the sieved HMX respond to modest shock loading by developing distinctive reactive waves that exhibit both temporal and mesoscale spatial fluctuations. Parallel tests have been performed on samples containing 10% (by mass) aluminum in two particle sizes: 2-{micro}m and 123-nm mean particle diameter, respectively. The finely dispersed aluminum initially suppresses wave growth from HMX reactions; however, after a visible induction period, the added metal drives rapid increases in the transmitted wave particle velocity. Wave profile variations as a function of the aluminum particle diameter are discussed.

  19. Surface polarity of beta-HMX crystal and the related adhesive forces with Estane binder.

    PubMed

    Yang, Lu

    2008-12-02

    Here I present the results on the study of surface properties of beta-HMX crystal utilizing molecular dynamics simulations. The surface polarity of three principal crystal surfaces, (011), (010), and (110), is investigated by measuring the water contact angles. The calculated contact angles are in excellent agreement 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 surrounding nitroplasticizer molecules) from the three principal crystal surfaces are also calculated using the umbrella sampling method. I find that the force for Estane detachment increases with the increasing HMX surface polarity. In addition, my results show that the nitroplasticizer also plays an important role in the adhesion between Estane and HMX surfaces.

  20. 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.

  1. 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.

  2. 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.

  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. 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.

  5. Structure and bonding in beta-HMX-characterization of a trans-annular N...N interaction.

    PubMed

    Zhurova, Elizabeth A; Zhurov, Vladimir V; Pinkerton, A Alan

    2007-11-14

    Chemical bonding in the beta-phase of the 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) crystal based on the experimental electron density obtained from X-ray diffraction data at 20 K, and solid state theoretical calculations, has been analyzed in terms of the quantum theory of atoms in molecules. Features of the intra- and intermolecular bond critical points and the oxygen atom lone-pair locations are discussed. An unusual N...N bonding interaction across the 8-membered ring has been discovered and characterized. Hydrogen bonding, O...O and O...C intermolecular interactions are reported. Atomic charges and features of the electrostatic potential are discussed.

  6. Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMX

    NASA Astrophysics Data System (ADS)

    Liu, Lin-Lin; Liu, Pei-Jin; Hu, Song-Qi; He, Guo-Qiang

    2017-01-01

    NO2 fission is a vital factor for 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) decomposition. In this study, the geometry of the gas-phase RDX and HMX molecules was optimized, and the bond order and the bond dissociation energy of the N-N bonds were examined. Moreover, the rate constants of the gas-phase RDX and HMX conformers, concerning the N-N bond dissociation, were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that HMX is more stable than RDX in terms of the N-N bond dissociation, and the conformers stability parameters were as follows: RDXaaa < RDXaae < HMX I < HMX II. In addition, for the RDX conformers, the N-N bond of the pseudo-equatorial positioning of the nitro group was more stable than the N-N bond of the axial positioning of the nitro group, while the results were opposite in the case of the HMX conformers. Moreover, it has been shown that the dissociation rate constant of the N-N bond is influenced by the temperature significantly, thus the rate constants were much lower (<10-10 s-1) when the temperature was less than 1000 K.

  7. Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMX

    PubMed Central

    Liu, Lin-lin; Liu, Pei-jin; Hu, Song-qi; He, Guo-qiang

    2017-01-01

    NO2 fission is a vital factor for 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) decomposition. In this study, the geometry of the gas-phase RDX and HMX molecules was optimized, and the bond order and the bond dissociation energy of the N-N bonds were examined. Moreover, the rate constants of the gas-phase RDX and HMX conformers, concerning the N-N bond dissociation, were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that HMX is more stable than RDX in terms of the N-N bond dissociation, and the conformers stability parameters were as follows: RDXaaa < RDXaae < HMX I < HMX II. In addition, for the RDX conformers, the N-N bond of the pseudo-equatorial positioning of the nitro group was more stable than the N-N bond of the axial positioning of the nitro group, while the results were opposite in the case of the HMX conformers. Moreover, it has been shown that the dissociation rate constant of the N-N bond is influenced by the temperature significantly, thus the rate constants were much lower (<10−10 s−1) when the temperature was less than 1000 K. PMID:28094774

  8. Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMX.

    PubMed

    Liu, Lin-Lin; Liu, Pei-Jin; Hu, Song-Qi; He, Guo-Qiang

    2017-01-17

    NO2 fission is a vital factor for 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) decomposition. In this study, the geometry of the gas-phase RDX and HMX molecules was optimized, and the bond order and the bond dissociation energy of the N-N bonds were examined. Moreover, the rate constants of the gas-phase RDX and HMX conformers, concerning the N-N bond dissociation, were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that HMX is more stable than RDX in terms of the N-N bond dissociation, and the conformers stability parameters were as follows: RDXaaa < RDXaae < HMX I < HMX II. In addition, for the RDX conformers, the N-N bond of the pseudo-equatorial positioning of the nitro group was more stable than the N-N bond of the axial positioning of the nitro group, while the results were opposite in the case of the HMX conformers. Moreover, it has been shown that the dissociation rate constant of the N-N bond is influenced by the temperature significantly, thus the rate constants were much lower (<10(-10) s(-1)) when the temperature was less than 1000 K.

  9. 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.

  10. HMX: Toxicokinetics of (14)C-HMX Following Oral Administration to the Rat and Mouse and Intravenous Administration to the Rat

    DTIC Science & Technology

    1986-03-01

    considered to describe accurately the methods and procedures used in the study and the * original data generated during the study. Signed...following the oral adminis- tration. J~ssue concentrations of radioactivity following an intravenous dose of C-HMX were generally higher than plasma...January 1983 SAll data generated and recorded during this study will be stored in the Scientific Archives of Inveresk Research International Limited. I V

  11. Determination of the Toxicity to Acquatic Organisms of HMX and Related Wastewater Constituents. Part 3. Toxicity of HMX, TAX, and SEX to Acquatic Organisms.

    DTIC Science & Technology

    1984-10-01

    shielded from fluorescent light and sunlight. Larvae were fed 1-2 drops of concentrated brine shrimp daily during exposure. The HMX embryo and larvae test...were fed concentrated live brine shrimp twice daily. Fish utilized in the static acute toxicity tests were fathead minnow (Pimephales promelas...live larvae were transferred to the respective aquaria upon completion of hatching. Larvae were fed live brine shrimp (Artemia salina) nauplii three

  12. 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.

  13. 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

  14. Suitability of Polyvinyl Chloride Pipe for Monitoring TNT, RDX, HMX, and DNT in Groundwater.

    DTIC Science & Technology

    1985-08-01

    in contact with low concentrations of aqueous solutions of TNT, RDX, HMX and 2,4-DNT for 80 days under nonsterile condi- tions. Results indicated...was increased loss of any substance because of the presence of PVC pipe was in the TNT solution under nonsterile conditions. This increased loss was...of such commercial products . QUALITY INSPECTED -. CONTENTS Page Abstract...... ..................................... ..... i Preface

  15. Mechanism of xanthine oxidase catalyzed biotransformation of HMX under anaerobic conditions.

    PubMed

    Bhushan, Bharat; Paquet, Louise; Halasz, Annamaria; Spain, Jim C; Hawari, Jalal

    2003-06-27

    Enzyme catalyzed biotransformation of the energetic chemical octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is not known. The present study describes a xanthine oxidase (XO) catalyzed biotransformation of HMX to provide insight into the biodegradation pathway of this energetic chemical. The rates of biotransformation under aerobic and anaerobic conditions were 1.6+/-0.2 and 10.5+/-0.9 nmolh(-1)mgprotein(-1), respectively, indicating that anaerobic conditions favored the reaction. The biotransformation rate was about 6-fold higher using NADH as an electron-donor compared to xanthine. During the course of reaction, the products obtained were nitrite (NO(2)(-)), methylenedinitramine (MDNA), 4-nitro-2,4-diazabutanal (NDAB), formaldehyde (HCHO), nitrous oxide (N(2)O), formic acid (HCOOH), and ammonium (NH(4)(+)). The product distribution gave carbon and nitrogen mass-balances of 91% and 88%, respectively. A comparative study with native-, deflavo-, and desulfo-XO and the site-specific inhibition studies showed that HMX biotransformation occurred at the FAD-site of XO. Nitrite stoichiometry revealed that an initial single N-denitration step was sufficient for the spontaneous decomposition of HMX.

  16. 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.

  17. 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. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. Molecular dynamics simulations of void defects in the energetic material HMX.

    PubMed

    Duan, Xiao Hui; Li, Wen Peng; Pei, Chong Hua; Zhou, Xiao Qing

    2013-09-01

    A molecular dynamics (MD) simulation was carried out to characterize the dynamic evolution of void defects in crystalline octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX). Different models were constructed with the same concentration of vacancies (10 %) to discuss the size effects of void. Energetic ground state properties were determined by annealing simulations. The void formation energy per molecule removed was found to be 55-63 kcal/mol(-1), and the average binding energy per molecule was between 32 and 34 kcal/mol(-1) according to the change in void size. Voids with larger size had lower formation energy. Local binding energies for molecules directly on the void surface decreased greatly compared to those in defect-free lattice, and then gradually increased until the distance away from the void surface was around 10 Å. Analysis of 1 ns MD simulations revealed that the larger the void size, the easier is void collapse. Mean square displacements (MSDs) showed that HMX molecules that had collapsed into void present liquid structure characteristics. Four unique low-energy conformers were found for HMX molecules in void: two whose conformational geometries corresponded closely to those found in HMX polymorphs and two, additional, lower energy conformers that were not seen in the crystalline phases. The ratio of different conformers changed with the simulated temperature, in that the ratio of α conformer increased with the increase in temperature.

  19. Contribution of hydrolysis in the abiotic attenuation of RDX and HMX in coastal waters.

    PubMed

    Monteil-Rivera, Fanny; Paquet, Louise; Giroux, Romain; Hawari, Jalal

    2008-01-01

    Sinking of military ships, dumping of munitions during the two World Wars, and military training have resulted in the undersea deposition of numerous unexploded ordnances (UXOs). Leaching of energetic compounds such as hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from these UXOs may cause adverse ecological effects so that the long-term fate of these chemicals in the sea should be known. The present study assesses the contribution of alkaline hydrolysis into the natural attenuation of RDX and HMX in coastal waters. Alkaline hydrolysis rates were shown to be unaffected by the presence of sodium chloride, the most common component in marine waters. Kinetic parameters (E(a), ln A, k(2)) quantified for the alkaline hydrolysis of RDX and HMX in deionized water (30-50 degrees C, pH 10-12) agreed relatively well with abiotic degradation rates determined in sterilized natural coastal waters (50 and 60 degrees C, variable salinity) even if the latter were generally slightly faster than the former. Furthermore, similar products (HCHO, NO(2)(-), O(2)NNHCH(2)NHCHO) were obtained on alkaline hydrolysis in deionized water and abiotic degradation in coastal waters. These two findings suggested that degradation of nitramines in sterilized natural coastal waters, away from light, was mainly governed by alkaline hydrolysis. Kinetic calculations using the present parameters showed that alkaline hydrolysis of RDX and HMX in marine waters at 10 degrees C would respectively take 112 +/- 10 and 2408 +/- 217 yr to be completed (99.0%). We concluded that under natural conditions hydrolysis should not contribute significantly to the natural attenuation of HMX in coastal waters whereas it could play an active role in the natural attenuation of RDX.

  20. 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)

  1. Ab initio calculations of the effects of H+ and NH4+ on the initial decomposition of HMX.

    PubMed

    Wang, Luoxin; Tuo, Xinlin; Yi, Changhai; Wang, Xiaogong

    2008-10-01

    In this work, the effects of H(+) and NH(4)(+) on the initial decomposition of HMX were investigated on the basis of the B3P86/6-31G** and B3LYP/6-31G* calculations. Three initial decomposition pathways including the N-NO(2) bond fission, HONO elimination and C-N bond dissociation were considered for the complexes formed by HMX with H(+) (PHMX1 and PHMX2) or with NH(4)(+) (AHMX). We found that H(+) and NH(4)(+) did not evidently induce the HMX to trigger the N-NO(2) heterolysis because the energy barrier of N-NO(2) heterolysis was found to be higher than the bond dissociation energy of N-NO(2) homolytic cleavage. Meanwhile, the transition state barriers of the HONO elimination from the complexes were found to be similar to that from the isolated HMX, which means that the HONO elimination reaction of HMX was not affected by the H(+) and NH(4)(+). As for the ring-opening reaction of HMX due to the C-N bond dissociation, the calculated potential energy profile showed that the energy of the complex (AHMX) went uphill along the C-N bond length and no transition state existed on the curve. However, the transition state energy barriers of C-N bond dissociation were calculated to be only 5.0 kcal/mol and 5.5 kcal/mol for the PHMX1 and PHMX2 complexes, respectively, which were much lower than the C-N bond dissociation energy of isolated HMX. Moreover, among the three initial decomposition reactions, the C-N bond dissociation was also the most energetically favorable pathway for the PHMX1 and PHMX2. Our calculation results showed that the H(+) can significantly promote the initial thermal decomposition of C-N bond of HMX, which, however, is influenced by NH(4)(+) slightly.

  2. 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.

  3. 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.

  4. Burning Rate Transitions for HMX Burned as a Binderless Propellant,

    DTIC Science & Technology

    1980-06-01

    have shown that the regression attains velocities up to 6000 cm/s at high pressure , with pressure exponents as low as 0.3, depending on sample...base of the charge, extremely high burn rate propellant (several thou- sand cm/s or more depending on gun pressure and muzzle velocity desired) is...experiments were carried out, the calculated flame heights range from 17 to 700 cm, depending on particle size and pressure . Thus, it is not surprising that

  5. Temperature-dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): A molecular dynamics simulation study

    SciTech Connect

    Bedrov, Dmitry; Smith, Grant D.; Sewell, Thomas D.

    2000-04-22

    Equilibrium molecular dynamics methods were used in conjunction with linear response theory and a recently published potential-energy surface [J. Phys. Chem. B 103, 3570 (1999)] to compute the liquid shear viscosity and self-diffusion coefficient of the high explosive HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) over the temperature domain 550-800 K. Predicted values of the shear viscosity range from 0.0055 Pa *s at the highest temperature studied up to 0.45 Pa *s for temperatures near the melting point. The results, which represent the first publication of the shear viscosity of HMX, are found to be described by an Arrhenius rate law over the entire temperature domain studied. The apparent activation energy for the shear viscosity is found to scale with the heat of vaporization in a fashion consistent with those for a wide variety of simple nonmetallic liquids. The self-diffusion coefficient, which requires significantly shorter trajectories than the shear viscosity for accurate calculation, also exhibits an Arrhenius temperature dependence over the simulated temperature domain. This has potentially important implications for predictions of the shear viscosity at temperatures near the melting point. (c) 2000 American Institute of Physics.

  6. Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study.

    PubMed

    Liu, Yingzhe; Yu, Tao; Lai, Weipeng; Ma, Yiding; Kang, Ying; Ge, Zhongxue

    2017-03-10

    Molecular dynamics simulations have been performed to understand the adsorption behavior of acetone (AC) solvent at the three surfaces of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctan (HMX) crystal, i.e. (011), (110), and (020) faces. The simulation results show that the structural features and electrostatic potentials of crystal faces are determined by the HMX molecular packing, inducing distinct mass density distribution, dipole orientation, and diffusion of solvent molecules in the interfacial regions. The solvent adsorption is mainly governed by the van der Waals forces, and the crystal-solvent interaction energies among three systems are ranked as (020)≈(110)>(011). The adsorption sites for solvent incorporation at the crystal surface were found and visualized with the aid of occupancy analysis. A uniform arrangement of adsorption sites is observed at the rough (020) surface as a result of ordered adsorption motif.

  7. Predicting elastic properties of β-HMX from first-principles calculations.

    PubMed

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

    2015-05-07

    We investigate the performance of van der Waals (vdW) functions in predicting the elastic constants of β cyclotetramethylene tetranitramine (HMX) energetic molecular crystals 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 when compared with experimental stress-strain data. Our results suggest that PBE-D3 calculations are reliable in predicting the elastic constants of this material.

  8. 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.

  9. Critical Analysis of Nitramine Decomposition Data: Product Distributions from HMX and RDX Decomposition

    DTIC Science & Technology

    1985-06-01

    groups oE starting material, by formyl radical HCO. Hydroxymethylformamide. HCONHCHQOH. This compound has been reported formed in the decomposition of...or via free- radical deoxygenation of HMX or RDX, leading to nitrosoamines, then H2C=NN0, which then breaks down yielding N2 and’ formaldehyde. It is...below; this is consistent with formation of nitrosoamines preferentially in the liquid phase, possibly by radical abstraction of a nitro oxygen as

  10. Terahertz Spectra of Water Complexes of Beta-HMX Calculated by Density Functional Theory

    DTIC Science & Technology

    2012-03-16

    molecule simulation results help to identify intramolecular vibrational modes in the absorption spectra of various materials. A series of studies have...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--12-9392 Terahertz Spectra of Water Complexes of β-HMX Calculated by Density...NAME OF RESPONSIBLE PERSON 19b. TELEPHONE NUMBER (include area code) b. ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Terahertz

  11. The Fate of Nitroaromatic (TNT) and Nitramine (RDX and HMX) Explosives in Fractured and Weathered Soils

    DTIC Science & Technology

    2008-12-01

    have used weathered clays, silts and sands in a series of column and incubation studies (eg. Price et al., 2000 and the references therein). These...Acta 56: 3957-3970. Brannon, J.M., Price , C.B., Hayes, C., and Yost, S.L. (2002) Aquifer soil cation substitution and adsorption of TNT, RDX, and HMX...186. Eriksson, J., Frankki, S., Shchukarev, A., and Skyllberg, U. (2004) Binding of 2, 4, 6-Trinitrotoluene, Aniline and Nitrobenzene to dissolved

  12. Analysis of Wastewater for Organic Compounds Unique to RDX/HMX manufacturing and Processing

    DTIC Science & Technology

    1979-12-01

    contain the highest concentrations of pollutants unique to RDX/HMX manufacturing. Samples were taken of the overflow from the " de - water" settling...recrystallization processes. Dilution of the filtrate was minimized by collection of samples of " de - water" from the overflow of the settling tanks...NO2 bonds. Thus, the special analytical work by MRI identified nnly RDX gMX , SEX, and TAX in effluents from MRI in agreement with the Phase I work

  13. Ignition and growth reactive flow modeling of recent HMX/TATB detonation experiments

    NASA Astrophysics Data System (ADS)

    Tarver, Craig M.

    2017-01-01

    Two experimental studies in which faster HMX detonation waves produced oblique detonation waves in adjoining slower detonating TATB charges were modeled using the Ignition and Growth (I&G) reactive flow detonation model parameters for PBX 9501 (95% HMX / 2.5% Estane / 2.5% BDNPA/F) and PBX 9502 (95% TATB / 5% Kel-F binder). Matignon et al. used X1 explosive (96% HMX / 4% binder) to drive an oblique detonation wave into an attached charge of T2 explosive (97% TATB / 3% binder). The flow angles were measured in the T2 shock initiation region and in steady T2 detonation. Anderson et al. used detonating PBX 9501 slabs of various thicknesses ranging from 0.56 mm to 2.5 mm to create oblique detonation waves in 8 mm thick slabs of PBX 9502. Several diagnostics were employed to: photograph the waves; measure detonation velocities and flow angles; and determine the output of the PBX 9501 slabs, the PBX 9502 slabs, and the "initiation regions" using LiF windows and PDV probes.

  14. Shock Initiation Experiments with Ignition and Growth Modeling on Low Density HMX

    NASA Astrophysics Data System (ADS)

    Garcia, Frank; Vandersall, Kevin; Tarver, Craig

    2013-06-01

    Shock initiation experiments on low density (1.24 and 1.64 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 (1.24 g/cm3) or sample disks pressed to low density (1.64 g/cm3) . The measured shock sensitivity of the 1.24 g/cm3 HMX was similar to that previously measured by Dick and Sheffield et al. and the 1.64 g/cm3 HMX was measured to be much less shock sensitive. Ignition and Growth model parameters were derived that yielded good agreement with the experimental data at both initial densities. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  15. 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.; ...

    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

  16. 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.

  17. 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.

  18. 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.

  19. 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. Published by Elsevier Inc.

  20. Vibrational and thermodynamic properties of β-HMX: a first-principles investigation.

    PubMed

    Wu, Zhongqing; Kalia, Rajiv K; Nakano, Aiichiro; Vashishta, Priya

    2011-05-28

    Thermodynamic properties of β-HMX crystal are investigated using the quasi-harmonic approximation and density functional theory within the local density approximation (LDA), generalized gradient approximation (GGA), and GGA + empirical van der Waals (vdW) correction. It is found that GGA well describes the thermal expansion coefficient and heat capacity but fails to produce correct bulk modulus and equilibrium volume. The vdW correction improves the bulk modulus and volume, but worsens the thermal expansion coefficient and heat capacity. In contrast, LDA describes all thermodynamic properties with reasonable accuracy, and overall is a good exchange-correlation functional for β-HMX molecular crystal. The results also demonstrate significant contributions of phonons to the equation of state. The static calculation of equilibrium volume for β-HMX differs from the room-temperature value incorporating lattice vibrations by over 5%. Therefore, for molecular crystals, it is essential to include phonon contributions when calculated equation of state is compared with experimental data at ambient condition. © 2011 American Institute of Physics

  1. 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.

  2. 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.

  3. Theoretical insights into the stabilities, detonation performance, and electrostatic potentials of cocrystals containing α- or β-HMX and TATB, FOX-7, NTO, or DMF in various molar ratios.

    PubMed

    Song, Ken-Peng; Ren, Fu-de; Zhang, Shu-Hai; Shi, Wen-Jing

    2016-10-01

    A molecular dynamics method was employed to study the binding energies associated with the cocrystallization (at selected crystal planes) of either 1,3,5-triamino-2,4,6-trinitro-benzene (TATB), 1,1-diamino-2,2-dinitroethylene, 3-nitro-1,2,4-triazol-5-one (TATB, FOX-7, and NTO, respectively, all of which are explosives), or N,N-dimethylformamide (DMF, a nonenergetic solvent) in various molar ratios with 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane in its α and β conformations (α-HMX and β-HMX, respectively). The results showed that the cocrystals with low molar ratios (2:1, 1:1, 1:2, and 1:3) were the most stable. The binding energies of HMX/NTO and HMX/DMF were larger than those of HMX/TATB and HMX/FOX-7. According to the calculated stabilities, HMX prefers to adopt its α form in HMX/TATB and its β form in HMX/NTO, whereas the two forms coexist in HMX/FOX-7. For HMX/TATB, HMX/NTO, and α-HMX/FOX-7, increasing the proportion of the cocrystal component with the highest detonation heat (HMX in the first two cases, FOX-7 in the latter) increases the detonation heat, velocity, and pressure of the cocrystal. However, increasing the proportion of the component with the highest detonation heat in β-HMX/FOX-7 and γ-CL-20/FOX-7 increases the detonation heat of the cocrystal but decreases its detonation velocity. An investigation of the surface electrostatic potential revealed how the sensitivity changes upon cocrystal formation. Graphical Abstract Surface electrostatic potential of HMX/TATB.

  4. Theoretical Study on Effects of Hydrogen-Bonding and Molecule-Cation Interactions on the Sensitivity of HMX.

    PubMed

    Li, Yunlu; Wu, Junpeng; Cao, Duanlin; Wang, Jianlong

    2016-10-04

    To assess the effects of weak interactions on the sensitivity of HMX, eleven complexes of HMX (where six of them are hydrogen-bonding complexes, and the other five are molecular-cation complexes) have been studied via quantum chemical treatment. The geometric and electronic structures were determined using DFT-B3LYP and MP2(full) methods with the 6-311++G(2df, 2p) and aug-cc-pVTZ basis sets. The changes of the bond dissociation energy (BDE) of the trigger bond (N-NO2 in HMX) and nitro group charge have been computed on the detail consideration to access the sensitivity changes of HMX. The results indicate that upon complex forming, the BDE increases and the charge of nitro group turns more negative in complexes, suggesting that the strength of the N-NO2 trigger bond is enhanced then the sensitivity of HMX is reduced. Atom-in-molecules analysis have also been carried to understand the nature of intermolecular interactions and the strength of trigger bonds.

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

    PubMed

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

    2014-12-15

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

  6. Face-Dependent Solvent Adsorption: A Comparative Study on the Interfaces of HMX Crystal with Three Solvents.

    PubMed

    Liu, Yingzhe; Lai, Weipeng; Ma, Yiding; Yu, Tao; Kang, Ying; Ge, Zhongxue

    2017-07-27

    To understand the crystal-solvent interfacial interactions on the molecular scale, the interfaces between three solvents, that is, acetone, γ-butyrolactone, and cyclohexanone, and three growth faces of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) crystal have been investigated with the aid of theoretical chemistry. The results show that the structural features of crystal faces play a critical role in the energetic, structural, and dynamic properties at the interfaces. For each solvent, the same change trend of some properties among the three faces of HMX crystal is observed, including adsorption affinity, local mass density, and solvent diffusion. For example, the rate of solvent diffusion at the three faces ranks as (011) > (110) > (020) regardless of solvent species. This can be attributed to the similar adsorption sites for solvent incorporation at the same face, which are concentrated at the cavities formed by surficial HMX molecules.

  7. Stress-time profiles, Hugoniot, and shock sensitivity data for 1-GPa shocks in low-density HMX (octogen) explosive

    SciTech Connect

    Dick, J.J.

    1986-01-01

    Using manganin gauges, plane-wave stress-time profiles were obtained for HMX explosive with 35% voids. Profiles were taken at several sample thicknesses for input stresses near 1 GPa. The objective was to observe the effect of the porosity on the compacting and initiating wave. The character of the initiation build-up is different from that seen in full-density explosives. Profiles in PBX 9404 were taken for comparison. These profiles should provide a good test for 1-D modeling of the compaction and initiation processes. Hugoniot and Pop-plot data for the pour-density HMX are also presented. 10 refs., 8 figs., 2 tabs.

  8. 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. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  9. Thermodynamic Work of Adhesion Between Hmx and a UK PBX Binder System

    NASA Astrophysics Data System (ADS)

    Williamson, D. M.; Palmer, S. J. P.; Proud, W. G.; Govier, R.

    2009-12-01

    The polar and dispersive components of the surface energy of a UK PBX's binder system have been measured using the Wilhelmy plate technique. These data can be combined with the known values for HMX to give the so-called Thermodynamic Work of Adhesion (TWA) between the two. This quantity represents the intrinsic amount of energy required to create new surface. This can be compared to the so-called Measured Work of Adhesion (MWA), which represents the total amount of energy required for debonding, i.e. TWA plus energy dissipated during deformation, which has previously been reported for this system.

  10. Thermodynamic work of adhesion between HMX and a UK PBX binder system

    NASA Astrophysics Data System (ADS)

    Williamson, David; Palmer, Stuart; Proud, William; Govier, Rebecca

    2009-06-01

    The polar and dispersive components of the surface energy of a UK PBX's binder system have been measured using the Wilhelmy plate technique. These data can be combined with the known values for HMX to give the so-called Thermodynamic Work of Adhesion (TWA) between the two. This quantity represents the intrinsic amount of energy required to create new surface. This can be compared to the so-called Measured Work of Adhesion (MWA), which represents the total amount of energy required for debonding, i.e. TWA plus energy dissipated during deformation, which has previously been reported for this system.

  11. Mammalian Toxicity of Munitions Compounds Identification of Waste Products from RDX and HMX Manufacture

    DTIC Science & Technology

    1979-04-01

    COMPOUNDS IDENTIFICATION OF WASTE PRODUCTS FROM L , I RDX AND HMX MANUFACTURE L PROGRESS REORT NO. 10 April 24, 1979 1ly Danny U. Helton William Burton...BEOR ~ COMLETIG OR1 1.REOR NUOBE ANESON 3.R tPENT’S CATALOG NUNGEtR tRProgreussRepr No.* 10 /OYA~ 4. TITLE (and 1ubAA159) S. TYPE O~F REPORT a PERIOD...COVERED Mammalian Toxicity of Munitions Compounds ?rogress Report No. 10 Identification of Waste Products from RDX / MAN 13-. 1976 - Nov- a1. 1978 S_

  12. Time-resolved Raman spectroscopy of shock compressed single crystal HMX

    NASA Astrophysics Data System (ADS)

    Scharff, R. J.; Whitley, V. H.; Stahl, D. B.; Dattelbaum, D. M.

    2009-06-01

    Shock initiation of an energetic organic solid is generally considered to proceed via a mechanism through which low frequency acoustic phonons are upconverted to higher frequency bond stretching vibrations in the crystal. To elucidate changes in molecular structure under shock loading, a series of well defined gas gun driven plate impact experiments coupled to time-resolved Raman spectroscopy were performed on single crystal β-HMX. We will also present progress in obtaining temperature measurements in the shocked material using a Stokes/anti-Stokes intensity ratio method.

  13. Monte Carlo calculations of the physical properties of RDX, {beta}-HMX, and TATB

    SciTech Connect

    Sewell, T.D.

    1997-09-01

    Atomistic Monte Carlo simulations in the NpT ensemble are used to calculate the physical properties of crystalline RDX, {beta}-HMX, and TATB. Among the issues being considered are the effects of various treatments of the intermolecular potential, inclusion of intramolecular flexibility, and simulation size dependence of the results. Calculations of the density, lattice energy, and lattice parameters are made over a wide range of pressures; thereby allowing for predictions of the bulk and linear coefficients of isothermal expansion of the crystals. Comparison with experiment is made where possible.

  14. HMX and HNS Shock Sensitivity Correlation with Specific Heat and Reactive Temperature Magnitudes

    NASA Astrophysics Data System (ADS)

    Billingsley, J. P.

    1999-06-01

    A paper in the 1995 SCCM Conference Proceedings(pages 429-432) documents that shock sensitivity of five explosives(TETRYL, PETN,TNT, RDX, and TATB) could be correlated with their specific heats and reactive temperature magnitudes. In fact, it was demonstrated that the shock sensitivity of these explosives was basically related to their reactive temperatures such as T(melt), T(phase change), and T(explode). Two additional explosives(HMX and HNS) have also been investigated and similar results are documented in this article. Thus, this concept has been affirmatively demonstrated via comparisons with experimental results for seven important explosive chemical compounds.

  15. Carbon cluster formation during thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-triamino-2,4,6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations.

    PubMed

    Zhang, Luzheng; Zybin, Sergey V; van Duin, Adri C T; Dasgupta, Siddharth; Goddard, William A; Kober, Edward M

    2009-10-08

    We report molecular dynamics (MD) simulations using the first-principles-based ReaxFF reactive force field to study the thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) at various densities and temperatures. TATB is known to produce a large amount (15-30%) of high-molecular-weight carbon clusters, whereas detonation of nitramines such as HMX and RDX (1,3,5-trinitroperhydro-1,3,5-triazine) generate predominantly low-molecular-weight products. In agreement with experimental observation, these simulations predict that TATB decomposition quickly (by 30 ps) initiates the formation of large carbonaceous clusters (more than 4000 amu, or approximately 15-30% of the total system mass), and HMX decomposition leads almost exclusively to small-molecule products. We find that HMX decomposes readily on this time scale at lower temperatures, for which the decomposition rate of TATB is about an order of magnitude slower. Analyzing the ReaxFF MD results leads to the detailed atomistic structure of this carbon-rich phase of TATB and allows characterization of the kinetics and chemistry related to this phase and their dependence on system density and temperature. The carbon-rich phase formed from TATB contains mainly polyaromatic rings with large oxygen content, leading to graphitic regions. We use these results to describe the initial reaction steps of thermal decomposition of HMX and TATB in terms of the rates for forming primary and secondary products, allowing comparison to experimentally derived models. These studies show that MD using the ReaxFF reactive force field provides detailed atomistic information that explains such macroscopic observations as the dramatic difference in carbon cluster formation between TATB and HMX. This shows that ReaxFF MD captures the fundamental differences in the mechanisms of such systems and illustrates how the ReaxFF may be applied to model complex chemical phenomena

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

    PubMed Central

    Rosin, Jessica M.; Li, Wenjie; Rolfe, Sara M.; Latorre, Victor; Kuramoto, Takashi

    2016-01-01

    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

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

    DOE PAGES

    Rosin, Jessica M.; Li, Wenjie; Cox, Liza L.; ...

    2016-07-19

    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 sequencemore » 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. In conclusion, 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.« less

  18. 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. Copyright © 2012 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.

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

    DOE PAGES

    Rosin, Jessica M.; Li, Wenjie; Cox, Liza L.; ...

    2016-07-19

    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 sequencemore » 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. In conclusion, 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.« less

  20. 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.

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

    SciTech Connect

    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.

    2016-07-19

    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. In conclusion, 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. A non-coding genomic duplication at the HMX1 locus is associated with crop ears in highland cattle.

    PubMed

    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.

  9. Identification of Metabolic Routes and Catabolic Enzymes Involved in Phytoremediation of the Nitro- Substituted Explosives TNT, RDX, and HMX

    DTIC Science & Technology

    2006-07-31

    in the detoxification of xenobiotic pollutants, such as glutathione S-transferases (GSTs), cytochrome P-450s (CYPs), NADPH -dependent reductases , and...60 Acronyms: CYP ( cytochrome P450 monooxygenases); DNX (hexahydro-1,3- dinitroso-5-nitro-1,3,5...converting HMX, RDX, and TNT into more easily degradable and less toxic metabolites. - Cytochrome P450 mono-oxygenases and peroxidases, which catalyze

  10. Identification of Metabolic Routes and Catabolic Enzymes Involved in Phytoremediation of the Nitro-Substituted Explosives TNT, RDX, and HMX

    DTIC Science & Technology

    2006-07-31

    60 Acronyms: CYP ( cytochrome P450 monooxygenases); DNX (hexahydro-1,3...or amino groups, converting HMX, RDX, and TNT into more easily degradable and less toxic metabolites. - Cytochrome P450 mono-oxygenases and...known to be involved in the detoxification of xenobiotic pollutants, such as glutathione S-transferases (GSTs), cytochrome P-450s (CYPs), NADPH

  11. Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique.

    PubMed

    Ge, Ni-Na; Wei, Yong-Kai; Song, Zhen-Fei; Chen, Xiang-Rong; Ji, Guang-Fu; Zhao, Feng; Wei, Dong-Qing

    2014-07-24

    Molecular dynamics simulations in conjunction with multiscale shock technique (MSST) are performed to study the initial chemical processes and the anisotropy of shock sensitivity of the condensed-phase HMX under shock loadings applied along the a, b, and c lattice vectors. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. Our results show that there is a difference between lattice vector a (or c) and lattice vector b in the response to a shock wave velocity of 11 km/s, which is investigated through reaction temperature and relative sliding rate between adjacent slipping planes. The response along lattice vectors a and c are similar to each other, whose reaction temperature is up to 7000 K, but quite different along lattice vector b, whose reaction temperature is only up to 4000 K. When compared with shock wave propagation along the lattice vectors a (18 Å/ps) and c (21 Å/ps), the relative sliding rate between adjacent slipping planes along lattice vector b is only 0.2 Å/ps. Thus, the small relative sliding rate between adjacent slipping planes results in the temperature and energy under shock loading increasing at a slower rate, which is the main reason leading to less sensitivity under shock wave compression along lattice vector b. In addition, the C-H bond dissociation is the primary pathway for HMX decomposition in early stages under high shock loading from various directions. Compared with the observation for shock velocities V(imp) = 10 and 11 km/s, the homolytic cleavage of N-NO2 bond was obviously suppressed with increasing pressure.

  12. 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.

  13. 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. Copyright (c) 2006 John Wiley & Sons, Ltd.

  14. 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.

  15. Theoretical insights into the structures and mechanical properties of HMX/NQ cocrystal explosives and their complexes, and the influence of molecular ratios on their bonding energies.

    PubMed

    Li, Yong-Xiang; Chen, Shu-Sen; Ren, Fu-de

    2015-09-01

    Molecular dynamics (MD) methods were employed to study the binding energies and mechanical properties of selected crystal planes of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)/nitroguanidine (NQ) cocrystals at different molecular molar ratios. The densities and detonation velocities of the cocrystals at different molar ratios were estimated. The intermolecular interaction and bond dissociation energy (BDE) of the N-NO2 bond in the HMX:NQ (1:1) complex were calculated using the B3LYP, MP2(full) and M06-2X methods with the 6-311++G(d,p) and 6-311++G(2df,2p) basis sets. The results indicated that the HMX/NQ cocrystal prefers cocrystalizing in a 1:1 molar ratio, and the cocrystallization is dominated by the (0 2 0) and (1 0 0) facets. The K, G, and E values of the ratio of 1:1 are smaller than those of the other ratios, and the 1:1 cocrystal has the best ductility. The N-NO2 bond becomes stronger upon the formation of the intermolecular H-bonding interaction and the sensitivity of HMX decreases in the cocrystal. This sensitivity change in the HMX/NQ cocrystal originates not only from the formation of the intermolecular interaction but also from the increment of the BDE of N-NO2 bond in comparison with isolated HMX. The HMX/NQ (1:1) cocrystal exhibits good detonation performance. Reduced density gradient (RDG) reveals the nature of cocrystallization. Analysis of the surface electrostatic potential further confirmed that the sensitivity decreases in complex (or cocrystal) in comparison with that in isolated HMX.

  16. 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.

  17. Vibrational and thermal properties of β-HMX and TATB from dispersion corrected density functional theory

    NASA Astrophysics Data System (ADS)

    Landerville, Aaron C.; Oleynik, Ivan I.

    2017-01-01

    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 pressure-dependent crystal structure and the hydrostatic equation of state are followed by frozen-phonon calculations of their respective vibration spectra at each pressure. These are then used under the quasi-harmonic approximation to obtain zero-point and thermal free energy contributions to the pressure, resulting in pressure-volume-temperature (PVT) EOS for each material that are in excellent agreement with experiment. Heat capacities, and coefficients of thermal expansion as functions of temperature are also calculated and compared with experiment.

  18. 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.}

  19. 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.

  20. 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.

  1. Enhanced extraction of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the presence of sodium dodecyl sulphate and its application to environmental samples.

    PubMed

    Guarav; Malik, Ashok Kumar; Rai, Pramod Kumar

    2008-08-01

    A method for enhanced extraction of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) from environmental samples is developed with the assistance of sodium dodecyl sulphate (SDS) surfactant. In this study, the concentration of SDS surfactant and other analytical parameters are optimized on a high-performance liquid chromatography-UV system. An isocratic flow of 1.0 mL/min with mobile phase acetonitrile-water; 70:30 (v/v) at 230 nm wavelength on a reverse-phase amide column is used for baseline separation of explosives and making calibration curves. The amount of recovered explosives from spiked soil and water samples are calculated. The limits of detection obtained for HMX and RDX standards are 1.5 and 3.8 ppb (S/N=3), respectively, which are much better than obtained by the Environmental Protection Agency method 8330. The recoveries are found to be enhanced by 1.7 and 1.6-fold with SDS solution as compared to water for HMX and RDX, respectively, from soil samples.

  2. HMX: Analysis of Dosing Formulations Used in Acute, Sub-Acute and Sub-Chronic Toxicity Studies.

    DTIC Science & Technology

    1985-07-31

    14.72 - 1 50 78 1 79 1 1 I I 72 15.30 1 I 50 781 I I I 3 1 1 1 1 5 0 1 1 1 I i 15.07 -5 1 112 1 ,? 3 1 4,3 74 15.251 " 1 1 50 1 114 1 113 0 I I I 75...NUMBER 2. GOVT ACCESSION NO 3 . RECIPIENT’S CATALOG NUMBER 4. TITLE (end Subtitle) S. TYPE OF REPORT & PERIOD COVERED HMX: Analysis of dosing formulations...HMX: Analysis of Dosing Formulations Used in Acute, Sub-acute and Sub-chronic Toxicity Studies Final Report by: M.S. Henderson 3 , July,, 1985 Supported

  3. Reverse Phase HPLC Method for Analysis of TNT, RDX, HMX and 2,4-DNT in Munitions Wastewater,

    DTIC Science & Technology

    1984-12-01

    analytes in a water matrix. First, a literature tively, are possible." search was conducted which identified the meth - ods that had been reported in the...and Hoffsommer (1973) report on the water was reported by Mudri (1968). In this meth - use of TLC to determine HMX and RDX in muni- od a sample of...components of the oratories and used without further purification . wastewater. Methanol, acetonitrile and water used to pre- The major impurities in

  4. 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

    2004-04-09

    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.

  5. Space Based Infrared System High (SBIRS High)

    DTIC Science & Technology

    2015-12-01

    mission areas: Missile Warning, Missile Defense, Technical Intelligence and Battlespace Awareness. The constellation architecture for SBIRS High...2015. A formal test on December 10-18, 2015 proved the Block 10.3 system has the ability to control the full constellation (GEO/HEO and DSP) of...on the full SBIRS constellation and Ground Segment. SBIRS High December 2015 SAR March 23, 2016 11:24:26 UNCLASSIFIED 14 Block Buy (GEO 5-6) No

  6. FPGA Based High Performance Computing

    SciTech Connect

    Bennett, Dave; Mason, Jeff; Sundararajan, Prasanna; Dellinger, Erik; Putnam, Andrew; Storaasli, Olaf O

    2008-01-01

    Current high performance computing (HPC) applications are found in many consumer, industrial and research fields. From web searches to auto crash simulations to weather predictions, these applications require large amounts of power by the compute farms and supercomputers required to run them. The demand for more and faster computation continues to increase along with an even sharper increase in the cost of the power required to operate and cool these installations. The ability of standard processor based systems to address these needs has declined in both speed of computation and in power consumption over the past few years. This paper presents a new method of computation based upon programmable logic as represented by Field Programmable Gate Arrays (FPGAs) that addresses these needs in a manner requiring only minimal changes to the current software design environment.

  7. 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.

  8. 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.

  9. Mesodermal expression of the C. elegans HMX homolog mls-2 requires the PBC homolog CEH-20.

    PubMed

    Jiang, Yuan; Shi, Herong; Amin, Nirav M; Sultan, Ibrahim; Liu, Jun

    2008-01-01

    Metazoan development proceeds primarily through the regulated expression of genes encoding transcription factors and components of cell signaling pathways. One way to decipher the complex developmental programs is to assemble the underlying gene regulatory networks by dissecting the cis-regulatory modules that direct temporal-spatial expression of developmental genes and identify corresponding trans-regulatory factors. Here, we focus on the regulation of a HMX homoebox gene called mls-2, which functions at the intersection of a network that regulates cleavage orientation, cell proliferation and fate specification in the Caenorhabditis elegans postembryonic mesoderm. In addition to its transient expression in the postembryonic mesodermal lineage, the M lineage, mls-2 expression is detected in a subset of embryonic cells, in three pairs of head neurons and transiently in the somatic gonad. Through mutational analysis of the mls-2 promoter, we identified two elements (E1 and E2) involved in regulating the temporal-spatial expression of mls-2. In particular, we showed that one of the elements (E1) required for mls-2 expression in the M lineage contains two critical putative PBC-Hox binding sites that are evolutionarily conserved in C. briggsae and C. remanei. Furthermore, the C. elegans PBC homolog CEH-20 is required for mls-2 expression in the M lineage. Our data suggest that mls-2 might be a direct target of CEH-20 in the M lineage and that the regulation of CEH-20 on mls-2 is likely Hox-independent.

  10. Mesodermal expression of the C. elegans HMX homolog mls-2 requires the PBC homolog CEH-20

    PubMed Central

    Jiang, Yuan; Shi, Herong; Amin, Nirav M.; Sultan, Ibrahim; Liu, Jun

    2008-01-01

    Metazoan development proceeds primarily through the regulated expression of genes encoding transcription factors and components of cell signaling pathways. One way to decipher the complex developmental programs is to assemble the underlying gene regulatory networks by dissecting the cis-regulatory modules that direct temporal-spatial expression of developmental genes and identify corresponding trans-regulatory factors. Here, we focus on the regulation of a HMX homoebox gene called mls-2, which functions at the intersection of a network that regulates cleavage orientation, cell proliferation and fate specification in the C. elegans postembryonic mesoderm. In addition to its transient expression in the postembryonic mesodermal lineage, the M lineage, mls-2 expression is detected in a subset of embryonic cells, in three pairs of head neurons and transiently in the somatic gonad. Through mutational analysis of the mls-2 promoter, we identified two elements (E1 and E2) involved in regulating the temporal-spatial expression of mls-2. In particular, we showed that one of the elements (E1) required for mls-2 expression in the M lineage contains two critical putative PBC-Hox binding sites that are evolutionarily conserved in C. briggsae and C. remanei. Furthermore, the C. elegans PBC homolog CEH-20 is required for mls-2 expression in the M lineage. Our data suggests that mls-2 might be a direct target of CEH-20 in the M lineage and that the regulation of CEH-20 on mls-2 is likely Hox-independent. PMID:18316179

  11. Introduction to High Explosives Science

    SciTech Connect

    Skidmore, Cary Bradford; Preston, Daniel N.

    2016-11-17

    These are a set of slides for educational outreach to children on high explosives science. It gives an introduction to the elements involved in this science: carbon, hydrogen, nitrogen, and oxygen. Combined, these form the molecule HMX. Many pictures are also included to illustrate explosions.

  12. 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.

  13. Comparative theoretical studies of differently bridged nitramino-substituted ditetrazole 2-N-oxides with high detonation performance and an oxygen balance of around zero.

    PubMed

    Wu, Qiong; Kou, Bo; Hang, Zusheng; Zhu, Weihua

    2017-06-01

    In this work, six (A-F) nitramino (-NHNO2)-substituted ditetrazole 2-N-oxides with different bridging groups (-CH2-, -CH2-CH2-, -NH-, -N=N-, and -NH-NH-) were designed. The six compounds were based on the parent compound tetrazole 2-N-oxide, which possesses a high oxygen balance and high density. The structure, heat of formation, density, detonation properties (detonation velocity D and detonation pressure P), and the sensitivity of each compound was investigated systematically via density functional theory, by studying the electrostatic potential, and using molecular mechanics. The results showed that compounds A-F all have outstanding energetic properties (D: 9.1-10.0 km/s; P: 38.0-46.7 GPa) and acceptable sensitivities (h 50: 28-37 cm). The bridging group present was found to greatly affect the detonation performance of each ditetrazole 2-N-oxide, and the compound with the -NH-NH- bridging group yielded the best results. Indeed, this compound (F) was calculated to have comparable sensitivity to the famous and widely used high explosive 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), but with values of D and P that were about 8.7% and 19.4% higher than those for HMX, respectively. The present study shows that tetrazole 2-N-oxide is a useful parent compound which could potentially be used in the design of new and improved high-energy compounds to replace existing energetic compounds such as HMX.

  14. Thermal decomposition of HMX: Low temperature reaction kinetics and their use for assessing response in abnormal thermal environments and implications for long-term aging

    SciTech Connect

    Behrens, R.; Bulusu, S.

    1995-12-01

    The thermal decomposition of HMX between 175 and 200{degree}C has been studied using the simultaneous thermogravimetric modulated beam mass spectrometer (STMBMS) apparatus with a focus on the initial stages of the decomposition. The identity of thermal decomposition products is the same as that measured in previous higher temperature experiments. The initial stages of the decomposition are characterized by an induction period followed by two acceleratory periods. The 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), respectively. This data can be used to calculate the time and temperature required to decompose a desired fraction of a sample that is being prepared to test the effect of thermal degradation on its sensitivity or burn rates. It can also be used to estimate the extent of decomposition that may be 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.

  15. 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.

  16. Theoretical insights into the effects of molar ratios on stabilities, mechanical properties, and detonation performance of CL-20/HMX cocrystal explosives by molecular dynamics simulation.

    PubMed

    Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

    2017-01-01

    To research and estimate the effects of molar ratios on structures, stabilities, mechanical properties, and detonation properties of CL-20/HMX cocrystal explosive, the CL-20/HMX cocrystal explosive models with different molar ratios were established in Materials Studio (MS). The crystal parameters, structures, stabilities, mechanical properties, and some detonation parameters of different cocrystal explosives were obtained and compared. The molecular dynamics (MD) simulation results illustrate that the molar ratios of CL-20/HMX have a direct influence on the comprehensive performance of cocrystal explosive. The hardness and rigidity of the 1:1 cocrystal explosive was the poorest, while the plastic property and ductibility were the best, thus implying that the explosive has the best mechanical properties. Besides, it has the highest binding energy, so the stability and compatibility is the best. The cocrystal explosive has better detonation performance than HMX. In a word, the 1:1 cocrystal explosive is worth more attention and further research. This paper could offer some theoretical instructions and technological support, which could help in the design of the CL-20 cocrystal explosive.

  17. Dynamic Responses and Initial Decomposition under Shock Loading: A DFTB Calculation Combined with MSST Method for β-HMX with Molecular Vacancy.

    PubMed

    He, Zheng-Hua; Chen, Jun; Ji, Guang-Fu; Liu, Li-Min; Zhu, Wen-Jun; Wu, Qiang

    2015-08-20

    Despite extensive efforts on studying the decomposition mechanism of HMX under extreme condition, an intrinsic understanding of mechanical and chemical response processes, inducing the initial chemical reaction, is not yet achieved. In this work, the microscopic dynamic response and initial decomposition of β-HMX with (1 0 0) surface and molecular vacancy under shock condition, were explored by means of the self-consistent-charge density-functional tight-binding method (SCC-DFTB) in conjunction with multiscale shock technique (MSST). The evolutions of various bond lengths and charge transfers were analyzed to explore and understand the initial reaction mechanism of HMX. Our results discovered that the C-N bond close to major axes had less compression sensitivity and higher stretch activity. The charge was transferred mainly from the N-NO2 group along the minor axes and H atom to C atom during the early compression process. The first reaction of HMX primarily initiated with the fission of the molecular ring at the site of the C-N bond close to major axes. Further breaking of the molecular ring enhanced intermolecular interactions and promoted the cleavage of C-H and N-NO2 bonds. More significantly, the dynamic response behavior clearly depended on the angle between chemical bond and shock direction.

  18. 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.

  19. 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.

  20. 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.

  1. Base hydrolysis and hydrothermal processing of PBX-9404 explosive

    SciTech Connect

    Sanchez, J.A.; Flesner, R.L.; Spontarelli, T.; Dell`Orco, P.C.; Kramer, J.F.

    1995-04-01

    Base hydrolysis in combination with hydrothermal processing has been proposed as an environmentally acceptable alternative to open burning/open detonation for degradation and destruction of high explosives. In this report, the authors examine gaseous and aqueous products of base hydrolysis of the HMX-based plastic bonded explosive, PBX-9404. The authors also examine products from the subsequent hydrothermal treatment of the base hydrolysate. The gases produced from hydrolysis of PBX-9404 are ammonia, nitrous oxide, and nitrogen. Major aqueous products are sodium formate, acetate, nitrate, and nitrite, but not all carbon products have been identified. Hydrothermal processing of base hydrolysate destroyed up to 98% of the organic carbon in solution, and higher destruction efficiencies are possible. Major gas products detected from hydrothermal processing were nitrogen and nitrous oxide.

  2. Base hydrolysis and supercritical water oxidation of PBX-9404

    SciTech Connect

    Flesner, R.L.; Spontarelli, T.; Dell`Orco, P.C.; Kramer, J.F.; Sanchez, J.A.

    1994-11-09

    Base hydrolysis in combination with hydrothermal processing has been proposed as an environmentally acceptable alternative to open burning/open detonation for degradation and destruction of high explosives. In this report, the authors examine gaseous and aqueous products of base hydrolysis of the HMX-based plastic bonded explosive, PBX-9404. The authors also examine products from the subsequent hydrothermal treatment of the base hydrolysate. The gases produced from hydrolysis of PBX-9404 are ammonia, nitrous oxide, and nitrogen. Major aqueous products are sodium formate, acetate, nitrate, and nitrite, but not all carbon products have been identified. Hydrothermal processing of base hydrolysate destroyed up to 98% of the organic carbon in solution, and higher destruction efficiencies are possible. Major gas products detected from hydrothermal processing were nitrogen and nitrous oxide.

  3. Behavior of Plastic Bonded Composite Explosives During High Acceleration

    NASA Astrophysics Data System (ADS)

    Lanzerotti, Y.

    1998-03-01

    The mechanical behavior of plastic bonded composite explosives has been studied during high acceleration in an ultracentrifuge. The pressed explosives studied include LX-14 [95% HMX (cyclotetramethylene- tetranitramine), 5% Estane], Composition A3 type II [91% RDX (cyclotrimethylene-trinitramine), 99% BDNPF (bis-dinitropropyl acetal formal), 6% CAB (cellulose acetate butyrate)], and PAX-3 (85% HMX, 9% BDNPF, 6% CAB/25% Aluminum). The fracture strength of LX-14 is greater than all pressed explosives studied to date. The fracture strength of Composition A3 type II is smaller than all pressed explosives studied to date.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Small Scale Characterization of the Presence of the Explosive Octahydro-1,3,5,7-tetranitro- 1,3,5,7 tetrazocine (HMX) Near Former Naval Sites on Vieques Island, Puerto Rico

    NASA Astrophysics Data System (ADS)

    Simmons, C. C.; Carvalho-Knighton, K. M.; Pyrtle, A. J.

    2007-12-01

    Octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (HMX) is a synthetic energetic compounds that has been commonly used in military munitions. The presence and movement of HMX through the environment is of growing concern because of potential civilian exposure and impacts on human health. HMX remains in the environment unreactive with little degradation. It can be transported great distances in water thus having the possibility for migrating into groundwater. The former naval sites in Vieques were used for weapons training and housed several disposal sites. Previous studies around these sites indicate the presence of radioactive materials produced through thermal fission, such as Cs-137. Since HMX was primarily used to implode fissionable materials in nuclear devices, evaluating the release of HMX and consequent movement through the environment at these sites is essential. Surface water and soil samples as well as core and pore water samples were collected from two sites in Vieques; Kiani Lagoon and Mosquito Bay. All samples were extracted using EPA method 8330 and analyzed using RP-HPLC analysis with a C-18 column. HMX was undetected in samples collected from both Kiani Lagoon and Mosquito Bay. The development of a model that studies the flow rates and fate of water runoff in these areas of interest, coupled with data on groundwater testing inside the actual former naval facilities, is being explored for further sample collection and analysis.

  9. Determination of second-order elastic constants of cyclotetramethylene tetranitramine (β-HMX) using impulsive stimulated thermal scattering

    NASA Astrophysics Data System (ADS)

    Sun, B.; Winey, J. M.; Gupta, Y. M.; Hooks, D. E.

    2009-09-01

    The second-order elastic constants for cyclotetramethylene tetranitramine (β-HMX) single crystals were determined using the impulsive stimulated thermal scattering (ISTS) method. Despite the low symmetry of these crystals, the complete set of 13 elastic constants were determined accurately from acoustic velocity measurements using samples cut parallel to three different crystal planes. Our acoustic velocities are consistent with the limited sound speed data available from ultrasonic measurements. However, significant differences are observed between the elastic constants determined from our experiments and those obtained previously using Brillouin scattering. Our results demonstrate the usefulness and efficiency of the ISTS method for determining the full set of elastic constants of low-symmetry molecular crystals, including energetic crystals.

  10. 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).

  11. 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.

  12. Micellar extraction and high performance liquid chromatography-ultra violet determination of some explosives in water samples.

    PubMed

    Babaee, Saeed; Beiraghi, Asadollah

    2010-03-03

    An analytical method based on the cloud point extraction combined with high performance liquid chromatography is used for the extraction, separation and determination of four explosives; octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazine (HMX), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), 2,4,6-trinitrotoluene (TNT) and pentaerythritol tetranitrate (PETN). These compounds are extracted by using of Triton X-114 and cetyl-trimethyl ammonium bromide (CTAB). After extraction, the samples were analyzed using a HPLC-UV system. The parameters affecting extraction efficiency (such as Triton X-114 and CTAB concentrations, amount of Na(2)SO(4), temperature, incubation and centrifuge times) were evaluated and optimized. Under the optimum conditions, the preconcentration factor was 40 and the improvement factors of 34, 29, 61 and 42 with detection limits of 0.09, 0.14, 0.08 and 0.40 (microg L(-1)) were obtained for HMX, RDX, TNT and PETN, respectively. The proposed method was successfully applied to the determination of these compounds in water samples and showed recovery percentages of 97-102% with RSD values of 2.13-4.92%.

  13. 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.

  14. Tertiary Treatment of Effluent from Holston AAP (Army Ammunition Plant) Industrial Liquid Waste Treatment Facility. 4. Ultraviolet Radiation and Hydrogen Peroxide Studies: TNT, RDX, HMX, TAX, and SEX

    DTIC Science & Technology

    1984-03-01

    AAP Technical Report INDUSTRIAL LIQUID WASTE TREATMENT FACILITY Feb 1983 - Aug 1983 IV. ULTRAVIOLET RADIATION AND HYDROGEN PEROXIDE 1. PERPnRUINe ORO ...ultraviolet light. The production of nitrate-nitrogen and loss of total organic carbon was reportedly indicative of the mineralization of TNT. 5...Treatment of Effluent from Holston AAP Industrial Liquid Waste Treatment Facility. II. Corona Oxidation Studies: TNT, RDX, HMX, TAX, and SEX. Technical

  15. Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy

    PubMed Central

    Kim, Beom Seo; Rhim, Jun-Won; Kim, Beomyoung; Kim, Changyoung; Park, Seung Ryong

    2016-01-01

    Monolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect. PMID:27805019

  16. 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).

  17. Reactive flow measurements and calculations for ZRH sub 2 -based composite explosives

    SciTech Connect

    Murphy, M.J.; Simpson, R.L.; Breithaupt, R.D.; Tarver, C.M.

    1989-08-18

    Cylinder test, Fabry-Perot laser interferometric and detonation velocity-charge diameter experiments were done to determine the detonation reaction zone structures and reaction product equations of state of a family of HMX/AP/ZrH{sub 2}/estane explosives. This experimental data base is used to develop ignition and growth reactive flow models of the detonations waves in these composite explosives. The experiments and calculations clearly demonstrate the Zeldovich-von Neumann-Doering (ZND) structure of the detonation reaction zones which are several millimeters long. The inferred reaction rates imply that the HMX in these formulations reacts first at rates comparable to those measured in other HMX-based explosives and propellants. The remaining components of these explosives then decompose at much slower rates. However, this decomposition is rapid enough to contribute to the propagation of the detonation wave and to the total energy delivered in metal acceleration applications. 22 refs., 9 figs.

  18. 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.

  19. 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.

  20. Highly cited works in skull base neurosurgery.

    PubMed

    Khan, Nickalus R; Lee, Siang Liao; Brown, Matthew; Reding, Jonathan; Angotti, Jonathan; Lepard, Jacob; Gabrick, Kyle; Klimo, Paul; Michael, L Madison

    2015-04-01

    Citation analysis can be used to evaluate an article's impact on its discipline. This study characterizes the most-cited articles related to skull base surgery. The 100 most-cited skull base neurosurgery articles in all journals were examined. A separate listing of the top 100 most-cited articles in dedicated skull base journals was also examined. The following information was recorded for each article: number of authors, country of origin, citation-count adjusted for number of years in print, topic, and level of evidence. The 100 overall most-cited articles appeared in 25 journals. The top 100 most-cited articles in dedicated skull base journals appeared in 3 journals. Publication dates ranged from 1965-2006 for the overall list and 1993-2010 for the dedicated skull base list. Citations ranged from 11-59 (mean, 19) for the dedicated skull base list and 115-487 for the overall list (mean, 175). The average time-adjusted citation count was 8.4 for the overall list and 2 for the dedicated skull base journal list. An original article in a nondedicated skull base journal related to the subspecialty of skull base with a citation count of 150 or more and time-adjusted citation count of 10 can be considered a high-impact publication. An original article in a dedicated skull base periodical having a total citation count of 20 or more and an average citation count of 2 per year or more can be considered a high impact publication. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Sieving hydrogen based on its high compressibility

    NASA Astrophysics Data System (ADS)

    Chen, Hangyan; Sun, Deyan; Gong, Xingao; Liu, Zhifeng

    2011-03-01

    Based on carbon nanotube intramolecular junction and a C60, a molecular sieve for hydrogen is presented. The small interspace between C60 and junction provides a size changeable channel for the permselectivity of hydrogen while blocking Ne and Ar. The sieving mechanism is due to the high compressibility of hydrogen.

  2. 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.

  3. 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.

  4. 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.

  5. Python based high-level synthesis compiler

    NASA Astrophysics Data System (ADS)

    Cieszewski, Radosław; Pozniak, Krzysztof; Romaniuk, Ryszard

    2014-11-01

    This paper presents a python based High-Level synthesis (HLS) compiler. The compiler interprets an algorithmic description of a desired behavior written in Python and map it to VHDL. FPGA combines many benefits of both software and ASIC implementations. Like software, the mapped circuit is flexible, and can be reconfigured over the lifetime of the system. FPGAs therefore have the potential to achieve far greater performance than software as a result of bypassing the fetch-decode-execute operations of traditional processors, and possibly exploiting a greater level of parallelism. Creating parallel programs implemented in FPGAs is not trivial. This article describes design, implementation and first results of created Python based compiler.

  6. Diamond based detectors for high temperature, high radiation environments

    NASA Astrophysics Data System (ADS)

    Metcalfe, A.; Fern, G. R.; Hobson, P. R.; Smith, D. R.; Lefeuvre, G.; Saenger, R.

    2017-01-01

    Single crystal CVD diamond has many desirable properties as a radiation detector; exceptional radiation hardness and physical hardness, chemical inertness, low Z (close to human tissue, good for dosimetry and transmission mode applications), wide bandgap (high temperature operation with low noise and solar blind), an intrinsic pathway to fast neutron detection through the 12C(n,α)9Be reaction. This combination of radiation hardness, temperature tolerance and ability to detect mixed radiation types with a single sensor makes diamond particularly attractive as a detector material for harsh environments such as nuclear power station monitoring (fission and fusion) and oil well logging. Effective exploitation of these properties requires the development of a metallisation scheme to give contacts that remain stable over extended periods at elevated temperatures (up to 250°C in this instance). Due to the cost of the primary detector material, computational modelling is essential to best utilise the available processing methods for optimising sensor response through geometry and conversion media configurations and to fully interpret experimental data. Monte Carlo simulations of our diamond based sensor have been developed, using MCNP6 and FLUKA2011, assessing the sensor performance in terms of spectral response and overall efficiency as a function of the detector and converter geometry. Sensors with varying metallisation schemes for high temperature operation have been fabricated at Brunel University London and by Micron Semiconductor Limited. These sensors have been tested under a varied set of conditions including irradiation with fast neutrons and alpha particles at high temperatures. The presented study indicates that viable metallisation schemes for high temperature contacts have been successfully developed and the modelling results, supported by preliminary experimental data from partners, indicate that the simulations provide a reasonable representation of

  7. 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.

  8. 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.

  9. High speed nanotechnology-based photodetector

    NASA Astrophysics Data System (ADS)

    Kurtz, Russell M.; Pradhan, Ranjit D.; Parfenov, Alexander V.; Holmstedt, Jason; Esterkin, Vladimir; Menon, Naresh; Aye, Tin M.; Chua, Kang-Bin; Schindler, Axel; Balandin, Alexander A.; Nichter, James E.

    2005-08-01

    An inexpensive, easily integrated, 40 Gbps photoreceiver operating in the communications band would revolutionize the telecommunications industry. While generation of 40 Gbps data is not difficult, its reception and decoding require specific technologies. We present a 40 Gbps photoreceiver that exceeds the capabilities of current devices. This photoreceiver is based on a technology we call "nanodust." This new technology enables nanoscale photodetectors to be embedded in matrices made from a different semiconductor, or directly integrated into a CMOS amplification circuit. Photoreceivers based on quantum dust technology can be designed to operate in any spectral region, including the telecommunications bands near 1.31 and 1.55 micrometers. This technology also lends itself to normal-incidence detection, enabling a large detector size with its associated increase in sensitivity, even at high speeds and reception wavelengths beyond the capability of silicon.

  10. 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.

  11. Highly stretchable nanoalginate based polyurethane elastomers.

    PubMed

    Daemi, Hamed; Barikani, Mehdi; Barmar, Mohammad

    2013-06-20

    Highly stretchable elastomeric samples based on cationic polyurethane dispersions-sodium alginate nanoparticles (CPUD/SA) were prepared by the solution blending of sodium alginate and aqueous polyurethane dispersions. CPUDs were synthesized by step growth polymerization technique using N-methyldiethanolamine (MDEA) as a source of cationic emulsifier. The chemical structure and thermal-mechanical properties of these systems were characterized using FTIR and DMTA, respectively. The presence of nanoalginate particles including nanobead and nanorod particles were proved by SEM and EDX. It was observed that thermal properties of composites increased with increasing SA content. All prepared samples were known as thermoplastic-elastomers with high percentages of elongation. Excellent compatibility of prepared nanocomposites was proved by the DMTA data.

  12. 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.

  13. 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.

  14. 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

  15. Highly explosive nanosilicon-based composite materials

    NASA Astrophysics Data System (ADS)

    Clément, D.; Diener, J.; Gross, E.; Künzner, N.; Timoshenko, V. Yu.; Kovalev, D.

    2005-06-01

    We present a highly explosive binary system based on porous silicon layers with their pores filled with solid oxidizers. The porous layers are produced by a standard electrochemical etching process and exhibit properties that are different from other energetic materials. Its production is completely compatible with the standard silicon technology and full bulk silicon wafers can be processed and therefore a large number of explosive elements can be produced simultaneously. The application-relevant parameters: the efficiency and the long-term stability of various porous silicon/oxidizer systems have been studied in details. Structural properties of porous silicon, its surface termination, the atomic ratio of silicon to oxygen and the chosen oxidizers were optimized to achieve the highest efficiency of the explosive reaction. This explosive system reveals various possible applications in different industrial fields, e.g. as a novel, very fast airbag igniter.

  16. 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.

  17. 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). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Energy Efficient Graphene Based High Performance Capacitors.

    PubMed

    Bae, Joonwon; Lee, Chang-Soo; Kwon, Oh Seok

    2016-10-27

    Graphene (GRP) is an interesting class of nano-structured electronic materials for various cutting-edge applications. To date, extensive research activities have been performed on the investigation of diverse properties of GRP. The incorporation of this elegant material can be very lucrative in terms of practical applications in energy storage/conversion systems. Among various those systems, high performance electrochemical capacitors (ECs) have become popular due to the recent need for energy efficient and portable devices. Therefore, in this article, the application of GRP for capacitors is described succinctly. In particular, a concise summary on the previous research activities regarding GRP based capacitors is also covered extensively. It was revealed that a lot of secondary materials such as polymers and metal oxides have been introduced to improve the performance. Also, diverse devices have been combined with capacitors for better use. More importantly, recent patents related to the preparation and application of GRP based capacitors are also introduced briefly. This article can provide essential information for future study.

  19. High-speed high-efficiency photodetectors based on heterostructures

    NASA Astrophysics Data System (ADS)

    Korolkov, V. I.

    Recent advances in the development of high-speed high-efficiency heterostructure photodetectors (HPs) are reviewed. It is noted that the performance of semiconductor photodetectors has been improved by forbidden bandwidth control. Various types of HPs are examined, including modifications of heterophotodiodes and detectors with internal amplification; avalanche photodiodes; bipolar phototransistors; and planar photoresistance devices and field-effect phototransistors. These devices are compared in terms of speed and efficiency.

  20. A Supplementary RDX/HMX Products Site Selection Study -- Economic Cost Analysis

    DTIC Science & Technology

    1975-08-01

    District Office by A. M. Kinney, Inc. 0 Material Costs extracted from "Chemical Marketing Report", July 22, 1973 (except for Oxygen) ° Utility Costs...Z, Subject: Utility Cost Rates for Base Restructure, 7 Nov 1973. 14. Chemical Marketing Reporter, Vol 205, No. 29, Schell Publishing Co., Inc., NY...via Mr. Frank Black AMSAR-PPB November 27, 1974 1AChemical Marketing Reporter, Vol 205, No. 29, Schell Publishing Co., Inc. NY, NY., July 22, 1974

  1. 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.

  2. HMX: Analysis in Plasma Obtained after 90 Day Toxicity Studies with Rats and Mice

    DTIC Science & Technology

    1985-07-31

    from Rathburn * Chemicals Limited, Scotland. Dichloromethane was of AnalaR grade (BDH) and was distilled at IRI prior to use. Animal Diet During the...course of the study a laboratory Rodent Diet (BP Nutrition (Modified) Expanded Ground Maintenance Diet ) was available to the animals ad libitum. A...typical analysis for this diet is presented in Appendix 2. . QEquipment high performance liquid chromatography (HPLC) was performed on a systera

  3. Complex Formation in RDX, HMX, TNT, and Some Related Compounds: A Bibliography

    DTIC Science & Technology

    1977-12-01

    NUMBER Of PAGES 14. MONITORING AGEY NAME A AORESSI1 WHO.M$ 0000 C~iI#*II#d Otitte) It. SECURITY CLASS . (4t *ig 1ൈ) Unclassified If&. OECkASSIFICATION...angles all have normal values, but there are two rather short inteimolecular C-O distances of 3.04 and 3.20 4 4. Choi, C.S., and H. P. Boutin Acta...accelerated decrepitation when highly humid atmosphere surrounded these crystals at normal room temperature. 14. Brodman, B.W. J. Appl. Polymer

  4. Comparison of experimental data on detonation velocity and Chapman-Jouget pressure vs initial HE density with predictions from Ree's model equation of state. [RDX and HMX which are homologous nitramines of the family (CH/sub 2/N/sub 2/O/sub 2/)/sub n/ where n is 3 for RDX and 4 for HMX

    SciTech Connect

    Steinberg, D J

    1985-02-01

    Data on the change of detonation velocity and Chapman-Jouget pressure vs initial HE density for RDX and HMX have been compared with the theoretical predictions of Ree for PBX 9404. Ree's model predicts breaks or changes in the slope of these curves due to the solidification of carbon and the formation of a separate, nitrogen-rich phase. There is good evidence for the solidification of carbon at rho/sub 0/ about 1.15 g/cc, but the evidence for the nitrogen phase separation at rho/sub 0/ about 1.56 g/cc is conflicting. 14 refs., 6 figs., 1 tab.

  5. 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.

  6. Network based high performance concurrent computing

    SciTech Connect

    Sunderam, V.S.

    1991-01-01

    The overall objectives of this project are to investigate research issues pertaining to programming tools and efficiency issues in network based concurrent computing systems. The basis for these efforts is the PVM project that evolved during my visits to Oak Ridge Laboratories under the DOE Faculty Research Participation program; I continue to collaborate with researchers at Oak Ridge on some portions of the project.

  7. High Assurance Challenges for Cloud Based Computing

    DTIC Science & Technology

    2011-10-01

    transactions to exploits for eaves dropping, ex-filtration, session high-jacking, data corruption, man-in-the-middle, masquerade, blocking or...technology correspondent, guardian.co.uk, Cloud computing is a trap, warns GNU founder Richard Stallman, 29 September 2008, http

  8. Nano copper based high temperature solder alternative

    NASA Astrophysics Data System (ADS)

    Sharma, Akshay

    Nano Cu an alternative to high temperature solder is developed by the Advance Technological Center at the Lockheed Martin Corporation. A printable paste of Cu nano particles is developed with an ability to fuse at 200°C in reflow oven. After reflow the deposited material has nano crystalline and nano porous structure which affects its properties. Accelerated test are performed on nano Cu deposition having nano porous and nano crystalline structure for assessment and prediction of reliability. Nano Cu assemblies with different bond layer thickness are sheared to calculate the strength of the material and are correlated with the porous and crystalline structure of nano Cu. Thermal and isothermal fatigue test are performed on nano Cu to see the dependency of life on stress and further surface of failed assemblies were observed to determine the type of failure. Creep test at RT are performed to find the type of creep mechanism and how they are affected when subjected to high temperature. TEM, SEM, X-ray, C-SAM and optical microscopy is done on the nano Cu sample for structure and surface analysis.

  9. 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.

  10. 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. Copyright © 2013 Elsevier B.V. All rights reserved.

  11. Toward High Performance Photovoltaic Cells based on Conjugated Polymers

    DTIC Science & Technology

    2016-12-26

    AFRL-AFOSR-JP-TR-2016-0103 Toward High Performance Photovoltaic Cells based on Conjugated Polymers Kung-Hwa Wei National Chiao Tung University Final...REPORT TYPE Final 3. DATES COVERED (From - To) 16 Sep 2015 to 15 Sep 2016 4. TITLE AND SUBTITLE Toward High Performance Photovoltaic Cells based on...Grant 15IOA0113 “Toward High Performance Photovoltaic Cells Based on Conjugated Polymers (Taiwan side)” Dec. 16, 2016 PI information: Kung-Hwa Wei

  12. 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).

  13. High Performance Graphene Oxide Based Rubber Composites

    NASA Astrophysics Data System (ADS)

    Mao, Yingyan; Wen, Shipeng; Chen, Yulong; Zhang, Fazhong; Panine, Pierre; Chan, Tung W.; Zhang, Liqun; Liang, Yongri; Liu, Li

    2013-08-01

    In this paper, graphene oxide/styrene-butadiene rubber (GO/SBR) composites with complete exfoliation of GO sheets were prepared by aqueous-phase mixing of GO colloid with SBR latex and a small loading of butadiene-styrene-vinyl-pyridine rubber (VPR) latex, followed by their co-coagulation. During co-coagulation, VPR not only plays a key role in the prevention of aggregation of GO sheets but also acts as an interface-bridge between GO and SBR. The results demonstrated that the mechanical properties of the GO/SBR composite with 2.0 vol.% GO is comparable with those of the SBR composite reinforced with 13.1 vol.% of carbon black (CB), with a low mass density and a good gas barrier ability to boot. The present work also showed that GO-silica/SBR composite exhibited outstanding wear resistance and low-rolling resistance which make GO-silica/SBR very competitive for the green tire application, opening up enormous opportunities to prepare high performance rubber composites for future engineering applications.

  14. High Performance Graphene Oxide Based Rubber Composites

    PubMed Central

    Mao, Yingyan; Wen, Shipeng; Chen, Yulong; Zhang, Fazhong; Panine, Pierre; Chan, Tung W.; Zhang, Liqun; Liang, Yongri; Liu, Li

    2013-01-01

    In this paper, graphene oxide/styrene-butadiene rubber (GO/SBR) composites with complete exfoliation of GO sheets were prepared by aqueous-phase mixing of GO colloid with SBR latex and a small loading of butadiene-styrene-vinyl-pyridine rubber (VPR) latex, followed by their co-coagulation. During co-coagulation, VPR not only plays a key role in the prevention of aggregation of GO sheets but also acts as an interface-bridge between GO and SBR. The results demonstrated that the mechanical properties of the GO/SBR composite with 2.0 vol.% GO is comparable with those of the SBR composite reinforced with 13.1 vol.% of carbon black (CB), with a low mass density and a good gas barrier ability to boot. The present work also showed that GO-silica/SBR composite exhibited outstanding wear resistance and low-rolling resistance which make GO-silica/SBR very competitive for the green tire application, opening up enormous opportunities to prepare high performance rubber composites for future engineering applications. PMID:23974435

  15. High performance graphene oxide based rubber composites.

    PubMed

    Mao, Yingyan; Wen, Shipeng; Chen, Yulong; Zhang, Fazhong; Panine, Pierre; Chan, Tung W; Zhang, Liqun; Liang, Yongri; Liu, Li

    2013-01-01

    In this paper, graphene oxide/styrene-butadiene rubber (GO/SBR) composites with complete exfoliation of GO sheets were prepared by aqueous-phase mixing of GO colloid with SBR latex and a small loading of butadiene-styrene-vinyl-pyridine rubber (VPR) latex, followed by their co-coagulation. During co-coagulation, VPR not only plays a key role in the prevention of aggregation of GO sheets but also acts as an interface-bridge between GO and SBR. The results demonstrated that the mechanical properties of the GO/SBR composite with 2.0 vol.% GO is comparable with those of the SBR composite reinforced with 13.1 vol.% of carbon black (CB), with a low mass density and a good gas barrier ability to boot. The present work also showed that GO-silica/SBR composite exhibited outstanding wear resistance and low-rolling resistance which make GO-silica/SBR very competitive for the green tire application, opening up enormous opportunities to prepare high performance rubber composites for future engineering applications.

  16. High accuracy GNSS based navigation in GEO

    NASA Astrophysics Data System (ADS)

    Capuano, Vincenzo; Shehaj, Endrit; Blunt, Paul; Botteron, Cyril; Farine, Pierre-André

    2017-07-01

    Although significant improvements in efficiency and performance of communication satellites have been achieved in the past decades, it is expected that the demand for new platforms in Geostationary Orbit (GEO) and for the On-Orbit Servicing (OOS) on the existing ones will continue to rise. Indeed, the GEO orbit is used for many applications including direct broadcast as well as communications. At the same time, Global Navigation Satellites System (GNSS), originally designed for land, maritime and air applications, has been successfully used as navigation system in Low Earth Orbit (LEO) and its further utilization for navigation of geosynchronous satellites becomes a viable alternative offering many advantages over present ground based methods. Following our previous studies of GNSS signal characteristics in Medium Earth Orbit (MEO), GEO and beyond, in this research we specifically investigate the processing of different GNSS signals, with the goal to determine the best navigation performance they can provide in a GEO mission. Firstly, a detailed selection among different GNSS signals and different combinations of them is discussed, taking into consideration the L1 and L5 frequency bands, and the GPS and Galileo constellations. Then, the implementation of an Orbital Filter is summarized, which adaptively fuses the GN1SS observations with an accurate orbital forces model. Finally, simulation tests of the navigation performance achievable by processing the selected combination of GNSS signals are carried out. The results obtained show an achievable positioning accuracy of less than one meter. In addition, hardware-in-the-loop tests are presented using a COTS receiver connected to our GNSS Spirent simulator, in order to collect real-time hardware-in-the-loop observations and process them by the proposed navigation module.

  17. The increased shock sensitivity of PBX 9502 at high temperature

    NASA Astrophysics Data System (ADS)

    Rae, Philip; Baca, Eva; Cartelli, Angelo

    2013-06-01

    It has been shown previously that the shock sensitivity of TATB based PBXs can be significantly increased at elevated temperature. In fact, some researchers have reported that at 250°C the Pop plot for LX-17 (a TATB based composition) overlays the Pop plot for room temperature PBX 9501 (an HMX based composition). The current study made use of the modified LANL small-scale gap test to investigate the shock sensitivity as a function of temperature. The modified gap test inputs an almost planar shock into the acceptor explosive rather than the more usual highly divergent one. This important change not only makes the geometry less sensitive to machining and assembly imperfections than a divergent version, but also allows accurate computer simulation using models calibrated to 1D Pop plot data. In these tests, samples of PBX 9502 were held at temperatures of 180, 200, 230 & 260°C for 30 minutes prior to firing the donor booster. As expected a significant increase in sensitivity was observed, but the material was not as sensitive as PBX 9501 even at 260°C. The method of performing these more complex high temperature gap tests and the accompanying computer modeling of the results will also be presented.

  18. 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.

  19. 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

  20. High Performance COTS Based Computer for Regenerative Telecom Payloads

    NASA Astrophysics Data System (ADS)

    Notebaert, O.; Barthe, L.; Prieur, O.; Vanhove, J.-L.

    2016-08-01

    Architectural solutions for improving robustness of space computers with regard to radiations effects enables the development of high performance computers based on commercial grade digital processing devices. The ESA study HiP-CBC (High Performance COTS Based Computer) has validated the radiation mitigation concept to soft errors with a TRL5/6 DSP demonstrator. This concept is now being applied for a new range of payload processing applications such as digital signal processing on regenerative telecom missions.

  1. 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…

  2. 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…

  3. 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…

  4. 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.

  5. 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.

  6. The HMX/NKX homeodomain protein MLS-2 specifies the identity of the AWC sensory neuron type via regulation of the ceh-36 Otx gene in C. elegans

    PubMed Central

    Kim, Kyuhyung; Kim, Rinho; Sengupta, Piali

    2010-01-01

    The differentiated features of postmitotic neurons are dictated by the expression of specific transcription factors. The mechanisms by which the precise spatiotemporal expression patterns of these factors are regulated are poorly understood. In C. elegans, the ceh-36 Otx homeobox gene is expressed in the AWC sensory neurons throughout postembryonic development, and regulates terminal differentiation of this neuronal subtype. Here, we show that the HMX/NKX homeodomain protein MLS-2 regulates ceh-36 expression specifically in the AWC neurons. Consequently, the AWC neurons fail to express neuron type-specific characteristics in mls-2 mutants. mls-2 is expressed transiently in postmitotic AWC neurons, and directly initiates ceh-36 expression. CEH-36 subsequently interacts with a distinct site in its cis-regulatory sequences to maintain its own expression, and also directly regulates the expression of AWC-specific terminal differentiation genes. We also show that MLS-2 acts in additional neuron types to regulate their development and differentiation. Our analysis describes a transcription factor cascade that defines the unique postmitotic characteristics of a sensory neuron subtype, and provides insights into the spatiotemporal regulatory mechanisms that generate functional diversity in the sensory nervous system. PMID:20150279

  7. The HMX homeodomain protein MLS-2 regulates cleavage orientation, cell proliferation and cell fate specification in the C. elegans postembryonic mesoderm.

    PubMed

    Jiang, Yuan; Horner, Vanessa; Liu, Jun

    2005-09-01

    The proper formation of a complex multicellular organism requires the precise coordination of many cellular events, including cell proliferation, cell fate specification and differentiation. The C. elegans postembryonic mesodermal lineage, the M lineage, allows us to study mechanisms coordinating these events at single cell resolution. We have identified an HMX homeodomain protein MLS-2 in a screen for factors required for M lineage patterning. The MLS-2 protein is present in nuclei of undifferentiated cells in the early M lineage and in a subset of head neurons. In the M lineage, MLS-2 activity appears to be tightly regulated at the fourth round of cell division, coincident with the transition from proliferation to differentiation. A predicted null allele of mls-2, cc615, causes reduced cell proliferation in the M lineage, whereas a semi-dominant, gain-of-function allele, tm252, results in increased cell proliferation. Loss or overexpression of mls-2 also affects cleavage orientation and cell fate specification in the M lineage. We show that the increased cell proliferation in mls-2(tm252) mutants requires CYE-1, a G1 cell cycle regulator. Furthermore, the C. elegans Myod homolog HLH-1 acts downstream of mls-2 to specify M-derived coelomocyte cell fates. Thus MLS-2 functions in a cell type-specific manner to regulate both cell proliferation and cell fate specification.

  8. The HMX/NKX homeodomain protein MLS-2 specifies the identity of the AWC sensory neuron type via regulation of the ceh-36 Otx gene in C. elegans.

    PubMed

    Kim, Kyuhyung; Kim, Rinho; Sengupta, Piali

    2010-03-01

    The differentiated features of postmitotic neurons are dictated by the expression of specific transcription factors. The mechanisms by which the precise spatiotemporal expression patterns of these factors are regulated are poorly understood. In C. elegans, the ceh-36 Otx homeobox gene is expressed in the AWC sensory neurons throughout postembryonic development, and regulates terminal differentiation of this neuronal subtype. Here, we show that the HMX/NKX homeodomain protein MLS-2 regulates ceh-36 expression specifically in the AWC neurons. Consequently, the AWC neurons fail to express neuron type-specific characteristics in mls-2 mutants. mls-2 is expressed transiently in postmitotic AWC neurons, and directly initiates ceh-36 expression. CEH-36 subsequently interacts with a distinct site in its cis-regulatory sequences to maintain its own expression, and also directly regulates the expression of AWC-specific terminal differentiation genes. We also show that MLS-2 acts in additional neuron types to regulate their development and differentiation. Our analysis describes a transcription factor cascade that defines the unique postmitotic characteristics of a sensory neuron subtype, and provides insights into the spatiotemporal regulatory mechanisms that generate functional diversity in the sensory nervous system.

  9. 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…

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. High-Pressure Design of Advanced BN-Based Materials.

    PubMed

    Kurakevych, Oleksandr O; Solozhenko, Vladimir L

    2016-10-20

    The aim of the present review is to highlight the state of the art in high-pressure design of new advanced materials based on boron nitride. Recent experimental achievements on the governing phase transformation, nanostructuring and chemical synthesis in the systems containing boron nitride at high pressures and high temperatures are presented. All these developments allowed discovering new materials, e.g., ultrahard nanocrystalline cubic boron nitride (nano-cBN) with hardness comparable to diamond, and superhard boron subnitride B13N₂. Thermodynamic and kinetic aspects of high-pressure synthesis are described based on the data obtained by in situ and ex situ methods. Mechanical and thermal properties (hardness, thermoelastic equations of state, etc.) are discussed. New synthetic perspectives, combining both soft chemistry and extreme pressure-temperature conditions are considered.

  16. 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.

  17. High density lipoproteins-based therapies for cardiovascular disease

    PubMed Central

    Gao, Xuan; Yuan, Shujun

    2010-01-01

    Atherosclerosis is the leading cause of death in developed countries. High density lipoproteins (HDL) cholesterol level correlates inversely with the risk of cardiovascular diseases. Thus, HDL has obtained lots of interest for drug development. In this review, we summarized the mechanisms for the antiatherogenic function of HDL, current HDL-based drugs in clinical use and the future direction for HDL-based therapy development. PMID:21187875

  18. Highly ytterbium-doped bismuth-oxide-based fiber.

    PubMed

    Ohara, Seiki; Kuroiwa, Yutaka

    2009-08-03

    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%.

  19. Multilayer with periodic grating based high performance SPR waveguide sensor

    NASA Astrophysics Data System (ADS)

    Teotia, Pradeep Kumar; Kaler, R. S.

    2017-07-01

    We propose a high performance periodic grating coupled multi-layered surface plasmon resonance (SPR) waveguide based on Al+Au. High sensitivity is obtained by using grating filled with silver instead of air. Further sensor's performance is analysed by optimising width and thickness of SPR active metal layer as well as grating period also. Using finite difference time domain (FDTD) method, we have shown that sensitivity and detection accuracy can be improvised using appropriate multi-layered grating configuration.

  20. Bioremediation of high explosives

    SciTech Connect

    Kitts, C.L.; Alvarez, M.A.; Hanners, J.L.; Ogden, K.L.; Vanderberg-Twary, L.; Unkefer, P.J.

    1995-09-01

    Manufacture and use of high explosives has resulted in contamination of ground water and soils throughout the world. The use of biological methods for remediation of high explosives contamination has received considerable attention in recent years. Biodegradation is most easily studied using organisms in liquid cultures. Thus, the amount of explosive that can be degraded in liquid culture is quite small. However, these experiments are useful for gathering basic information about the biochemical pathways of biodegradation, identifying appropriate organisms and obtaining rates of degradation. The authors` laboratory has investigated all three major areas of explosives bioremediation: explosives in solution, explosives in soil, and the disposal of bulk explosives from demilitarization operations. They investigated the three explosives most commonly used in modern high explosive formulations: 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).

  1. High speed electric motors based on high performance novel soft magnets

    NASA Astrophysics Data System (ADS)

    Silveyra, J. M.; Leary, A. M.; DeGeorge, V.; Simizu, S.; McHenry, M. E.

    2014-05-01

    Novel Co-based soft magnetic materials are presented as a potential substitute for electrical steels in high speed motors for current industry applications. The low losses, high permeabilities, and good mechanical strength of these materials enable application in high rotational speed induction machines. Here, we present a finite element analysis of Parallel Path Magnetic Technology rotating motors constructed with both silicon steel and Co-based nanocomposite. The later achieved a 70% size reduction and an 83% reduction on NdFeB magnet volume with respect to a similar Si-steel design.

  2. Advancing the technology base for high-temperature membranes

    SciTech Connect

    Dye, R.C.; Birdsell, S.A.; Snow, R.C.

    1997-10-01

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project addresses the major issues confronting the implementation of high-temperature membranes for separations and catalysis. We are pursuing high-temperature membrane systems that can have a large impact for DOE and be industrially relevant. A major obstacle for increased use of membranes is that most applications require the membrane material to withstand temperatures above those acceptable for polymer-based systems. Advances made by this project have helped industry and DOE move toward high-temperature membrane applications to improve overall energy efficiency.

  3. High Throughput WAN Data Transfer with Hadoop-based Storage

    NASA Astrophysics Data System (ADS)

    Amin, A.; Bockelman, B.; Letts, J.; Levshina, T.; Martin, T.; Pi, H.; Sfiligoi, I.; Thomas, M.; Wüerthwein, F.

    2011-12-01

    Hadoop distributed file system (HDFS) is becoming more popular in recent years as a key building block of integrated grid storage solution in the field of scientific computing. Wide Area Network (WAN) data transfer is one of the important data operations for large high energy physics experiments to manage, share and process datasets of PetaBytes scale in a highly distributed grid computing environment. In this paper, we present the experience of high throughput WAN data transfer with HDFS-based Storage Element. Two protocols, GridFTP and fast data transfer (FDT), are used to characterize the network performance of WAN data transfer.

  4. 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.

  5. Integrated Ring Oscillators based on high-performance Graphene Inverters.

    PubMed

    Schall, Daniel; Otto, Martin; Neumaier, Daniel; Kurz, Heinrich

    2013-01-01

    The road to the realization of complex integrated circuits based on graphene remains an open issue so far. Current graphene based integrated circuits are limited by low integration depth and significant doping variations, representing major road blocks for the success of graphene in future electronic devices. Here we report on the realization of graphene based integrated inverters and ring oscillators. By using an optimized process technology for high-performance graphene transistors with local back-gate electrodes we demonstrate that complex graphene based integrated circuits can be manufactured reproducibly, circumventing problems associated with doping variations. The fabrication process developed here is scalable and fully compatible with conventional silicon technology. Therefore, our results pave the way towards applications based on graphene transistors in future electronic devices.

  6. Integrated Ring Oscillators based on high-performance Graphene Inverters

    PubMed Central

    Schall, Daniel; Otto, Martin; Neumaier, Daniel; Kurz, Heinrich

    2013-01-01

    The road to the realization of complex integrated circuits based on graphene remains an open issue so far. Current graphene based integrated circuits are limited by low integration depth and significant doping variations, representing major road blocks for the success of graphene in future electronic devices. Here we report on the realization of graphene based integrated inverters and ring oscillators. By using an optimized process technology for high-performance graphene transistors with local back-gate electrodes we demonstrate that complex graphene based integrated circuits can be manufactured reproducibly, circumventing problems associated with doping variations. The fabrication process developed here is scalable and fully compatible with conventional silicon technology. Therefore, our results pave the way towards applications based on graphene transistors in future electronic devices. PMID:24005257

  7. Parallel Microcracks-based Ultrasensitive and Highly Stretchable Strain Sensors.

    PubMed

    Amjadi, Morteza; Turan, Mehmet; Clementson, Cameron P; Sitti, Metin

    2016-03-02

    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.

  8. High fidelity of base pairing by 2-selenothymidine in DNA.

    PubMed

    Hassan, Abdalla E A; Sheng, Jia; Zhang, Wen; Huang, Zhen

    2010-02-24

    The base pairs are the contributors to the sequence-dependent recognition of nucleic acids, genetic information storage, and high fidelity of DNA polymerase replication. However, the wobble base pairing, where T pairs with G instead of A, reduces specific base-pairing recognition and compromises the high fidelity of the enzymatic polymerization. Via the selenium atomic probing at the 2-position of thymidine, we have investigated the wobble discrimination by manipulating the steric and electronic effects at the 2-exo position, providing a unique chemical strategy to enhance the base pair specificity. We report here the first synthesis of the novel 2-Se-thymidine ((Se)T) derivative, its phosphoramidite, and the Se-DNAs. Our biophysical and structural studies of the 2-Se-T DNAs reveal that the bulky 2-Se atom with a weak hydrogen-bonding ability can largely increase mismatch discriminations (including T/G wobble and T/C mismatched base pairs) while maintaining the (Se)T/A virtually identical to the native T/A base pair. The 2-Se atom bulkiness and the electronic effect are probably the main factors responsible for the discrimination against the formation of the wobble (Se)T/G base pair. Our investigations provide a potential novel tool to investigate the specific recognition of base pairs, which is the basis of high fidelity during replication, transcription, and translation. Furthermore, this Se-atom-specific substitution and probing are useful for X-ray crystal structure and function studies of nucleic acids.

  9. High Fidelity of Base Paring by 2-Selenothymidine in DNA

    SciTech Connect

    Hassan, A.; Sheng, J; Zhang, W; Huang, Z

    2010-01-01

    The base pairs are the contributors to the sequence-dependent recognition of nucleic acids, genetic information storage, and high fidelity of DNA polymerase replication. However, the wobble base pairing, where T pairs with G instead of A, reduces specific base-pairing recognition and compromises the high fidelity of the enzymatic polymerization. Via the selenium atomic probing at the 2-position of thymidine, we have investigated the wobble discrimination by manipulating the steric and electronic effects at the 2-exo position, providing a unique chemical strategy to enhance the base pair specificity. We report here the first synthesis of the novel 2-Se-thymidine ({sup Se}T) derivative, its phosphoramidite, and the Se-DNAs. Our biophysical and structural studies of the 2-Se-T DNAs reveal that the bulky 2-Se atom with a weak hydrogen-bonding ability can largely increase mismatch discriminations (including T/G wobble and T/C mismatched base pairs) while maintaining the {sup Se}T/A virtually identical to the native T/A base pair. The 2-Se atom bulkiness and the electronic effect are probably the main factors responsible for the discrimination against the formation of the wobble {sup Se}T/G base pair. Our investigations provide a potential novel tool to investigate the specific recognition of base pairs, which is the basis of high fidelity during replication, transcription, and translation. Furthermore, this Se-atom-specific substitution and probing are useful for X-ray crystal structure and function studies of nucleic acids.

  10. A Large Scale, High Resolution Agent-Based Insurgency Model

    DTIC Science & Technology

    2013-09-30

    2007). HSCB Models can be employed for simulating mission scenarios, determining optimal strategies for disrupting terrorist networks, or training and...High Resolution Agent-Based Insurgency Model ∑ = ⎜ ⎜ ⎝ ⎛ − −− = desired 1 move,desired, desired,,desired, desired,, N j ij jmoveij moveiD rp prp

  11. 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.

  12. Advanced alloy design technique: High temperature cobalt base superalloy

    NASA Technical Reports Server (NTRS)

    Dreshfield, R. L.; Freche, J. C.; Sandrock, G. D.

    1972-01-01

    Advanced alloy design technique was developed for treating alloys that will have extended life in service at high temperature and intermediate temperatures. Process stabilizes microstructure of the alloy by designing it so that compound identified with embrittlement is eliminated or minimized. Design process is being used to develop both nickel and cobalt-base superalloys.

  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. 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…

  15. 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…

  16. Health. 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 health is divided into ten topics. The topics included are Nutrition, Reproduction, Menstruation, Contraception, Alcohol Abuse, Tobacco, Immunization, Disease, Accident Prevention, and…

  17. Side-polished fiber based high sensitive temperature sensor

    NASA Astrophysics Data System (ADS)

    Prerana; Varshney, Ravi K.; Pal, Bishnu P.; Nagaraju, B.

    2010-12-01

    We present a high sensitive temperature sensor based on a side-polished fiber (SPF) coupled to a tapered multimode overlay waveguide (MMOW). We have theoretically shown that the longitudinal tapering of the MMOW can be used to tune the desired wavelength range in the spectrum without any loss in the sensitivity.

  18. A high energy output nanogenerator based on reduced graphene oxide

    NASA Astrophysics Data System (ADS)

    Li, Weiping; Zhang, Yupeng; Liu, Liangliang; Li, Delong; Liao, Lei; Pan, Chunxu

    2015-10-01

    In this paper, we report a novel graphene-based nanogenerator for high energy harvesting. Experimental and theoretical results revealed that the energy output mechanism is the joint action of the strain effect (band engineering) and the triboelectric effect of reduced graphene oxide. It was found that the current could be adjusted by experimental parameters, such as the electrolyte concentration and rotation rate. Furthermore, the voltage output could be amplified by series connection of the system. Compared with other nanogenerators, the present graphene-based nanogenerator provides advantages, such as simple assembly, flexibility and high structural stability. It is expected that this nanogenerator will be of potential application in active sensors and sustainable power sources.In this paper, we report a novel graphene-based nanogenerator for high energy harvesting. Experimental and theoretical results revealed that the energy output mechanism is the joint action of the strain effect (band engineering) and the triboelectric effect of reduced graphene oxide. It was found that the current could be adjusted by experimental parameters, such as the electrolyte concentration and rotation rate. Furthermore, the voltage output could be amplified by series connection of the system. Compared with other nanogenerators, the present graphene-based nanogenerator provides advantages, such as simple assembly, flexibility and high structural stability. It is expected that this nanogenerator will be of potential application in active sensors and sustainable power sources. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04971g

  19. Klystron based high power rf system for proton accelerator

    SciTech Connect

    Pande, Manjiri; Shrotriya, Sandip; Sharma, Sonal; Patel, Niranjan; Handu, Verander E-mail: manjiri08@gmail.com

    2011-07-01

    As a part of ADS program a proton accelerator (20 MeV, 30 mA) and its high power RF systems (HPRF) are being developed in BARC. This paper explains design details of this klystron based HPRF system. (author)

  20. High-power Faraday isolators based on TAG ceramics.

    PubMed

    Zheleznov, Dmitry; Starobor, Aleksey; Palashov, Oleg; Chen, Chong; Zhou, Shengming

    2014-02-10

    The Faraday isolator based on a new magneto-optical medium--TAG (terbium aluminum garnet) ceramics was implemented and investigated experimentally. The magneto-optical element was temperature-stabilized using water cooling. The device provides a stable isolation ratio of 38 dB at 300 W laser power. Estimates show high performance of the device at a kilowatt laser power.

  1. 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…

  2. 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…

  3. High temperature performance of soy-based adhesives

    Treesearch

    Jane L. O’Dell; Christopher G. Hunt; Charles R. Frihart

    2013-01-01

    We studied the high temperature performance of soy meal processed to different protein concentrations (flour, concentrate, and isolate), as well as formulated soy-based adhesives, and commercial nonsoy adhesives for comparison. No thermal transitions were seen in phenol-resorcinol-formaldehyde (PRF) or soy-phenol-formaldehyde (SoyPF) or in as-received soy flour...

  4. 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.

  5. High-hardness ceramics based on boron carbide fullerite derivatives

    NASA Astrophysics Data System (ADS)

    Ovsyannikov, D. A.; Popov, M. Yu.; Perfilov, S. A.; Prokhorov, V. M.; Kulnitskiy, B. A.; Perezhogin, I. A.; Blank, V. D.

    2017-02-01

    A new type of ceramics based on the phases of fullerite derivatives and boron carbide B4C is obtained. The material is synthesized at a temperature of 1500 K and a relatively low pressure of 4 GPa; it has a high hardness of 45 GPa and fracture toughness of 15 MPa m1/2.

  6. Preparing High School Biology Teachers for Standards-Based Curricula.

    ERIC Educational Resources Information Center

    Leonard, William H.; Penick, John E.

    This paper describes a preparation program in which 16 high school biology teachers in widely diverse settings across the country have successfully implemented a new standards-based biology curriculum, "Biology: A Community Context" (BACC), written by W.H. Leonard and J.E. Penick. During the summer of 1997, these 16 teachers were given an…

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Probabilistic performance-based design for high performance control systems

    NASA Astrophysics Data System (ADS)

    Micheli, Laura; Cao, Liang; Gong, Yongqiang; Cancelli, Alessandro; Laflamme, Simon; Alipour, Alice

    2017-04-01

    High performance control systems (HPCS) are advanced damping systems capable of high damping performance over a wide frequency bandwidth, ideal for mitigation of multi-hazards. They include active, semi-active, and hybrid damping systems. However, HPCS are more expensive than typical passive mitigation systems, rely on power and hardware (e.g., sensors, actuators) to operate, and require maintenance. In this paper, a life cycle cost analysis (LCA) approach is proposed to estimate the economic benefit these systems over the entire life of the structure. The novelty resides in the life cycle cost analysis in the performance based design (PBD) tailored to multi-level wind hazards. This yields a probabilistic performance-based design approach for HPCS. Numerical simulations are conducted on a building located in Boston, MA. LCA are conducted for passive control systems and HPCS, and the concept of controller robustness is demonstrated. Results highlight the promise of the proposed performance-based design procedure.

  13. Highly sensitive biosensors based on all-dielectric nanoresonators.

    PubMed

    Bontempi, Nicolò; Chong, Katie E; Orton, Henry W; Staude, Isabelle; Choi, Duk-Yong; Alessandri, Ivano; Kivshar, Yuri S; Neshev, Dragomir N

    2017-04-13

    Biosensing based on nanophotonic structures has shown a great potential for cost-efficient, high-speed and compact personal medical diagnostics. While plasmonic nanosensors offer high sensitivity, their intrinsically restricted resonance quality factors and strong heating due to metal absorption impose severe limitations on real life applications. Here, we demonstrate an all-dielectric sensing platform based on silicon nanodisks with strong optically-induced magnetic resonances, which are able to detect a concentration of streptavidin of as low as 10(-10) M (mol L(-1)) or 5 ng mL(-1), thus pushing the current detection limit by at least two orders of magnitudes. Our study suggests a new direction in biosensing based on bio-compatible, non-toxic, robust and low-loss dielectric nanoresonators with potential applications in medicine, including disease diagnosis and drug detection.

  14. High-performance network and channel based storage

    NASA Technical Reports Server (NTRS)

    Katz, Randy H.

    1992-01-01

    In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called I/O channels. With the dramatic shift toward 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. In this paper, 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.

  15. 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.

  16. [High-speed/high resolution teleradiology system based on university microwave network].

    PubMed

    Takizawa, M; Sone, S; Aoki, J; Sakai, F; Oguchi, K; Kondo, S; Fuwa, Y; Wako, T; Okazaki, Y

    1994-11-25

    A high-speed, high-resolution teleradiology system with full duplexing based on the Shinshu University Video and Communication Network System (SUNS) using Giga-Herz microwaves is described. The LAN at Nagano Red-Cross Hospital and The Radiology Department of Shinshu University Hospital are interfaced to a personal computer with a laser film digitizer, interactive display, and network interface. The throughput per digitized high-resolution radiographic image was 65 sec, and the mean transmission rate was 805 kilobit per sec. Teleradiology conferencing is also possible with this system. Radiologists at both hospitals interactively observe the same high-resolution images on the CRT screen using mouse cursor synchronization.

  17. Low Noise, High Detectivity Photodetectors based on Organic Materials

    NASA Astrophysics Data System (ADS)

    Guo, Fawen

    Organic photodetectors (OPDs) are potentially useful in many applications because of their light weight, flexibility and good form factors. Despite the high detectivities that have been frequently reported for OPDs recently, the application of these OPDs for weak light detection has been rarely demonstrated. In this thesis, low noise, high gain photodetectors based on organic and ZnO nanoparticles were proposed and demonstrated for highly sensitive UV light detection. The nanocomposite photodetector works in a hybrid mode of photodiode and photoconductor with the transition controlled by the UV light illumination. The nanocomposite detector shows two orders of magnitude higher sensitivity than silicon detectors in the UV range, which is the first time an organic, solution-processed detector has been shown to significantly outperform the inorganic photonic devices. In the fullerene-based photodetector, the dark-current has been successfully reduced by a cross-linked TPD (C-TPD) buffer layer. The high detectivity of 3.6 x 1011 cm Hz½ W-1 (Jones) at 370 nm and the wide Linear dynamic range (LDR) of 90 dB, along with a response speed faster than 20 kHz, suggests that the fullerene-based organic photodetectors proposed here can open the way for many potential applications. The ZnO nanoparticles have been introduced into the C-TPD buffer layer of the fullerene-based photodetector to increase the photoconductive gain and reduce the noise current. The peak external quantum efficiency (EQE) value of approximately 400% and the peak specific detectivity of 6.5 x 10 12 Jones at the wavelength of 390 nm, along with the record high LDR of 120 dB, enable the photodetector to be used in wide range of applications such as imaging, communication, and defense. The extremely high sensitivity of the photodetector also makes it particularly attractive for very weak light detection.

  18. 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.

  19. Highly crystalline MOF-based materials grown on electrospun nanofibers

    NASA Astrophysics Data System (ADS)

    Bechelany, M.; Drobek, M.; Vallicari, C.; Abou Chaaya, A.; Julbe, A.; Miele, P.

    2015-03-01

    Supported Metal Organic Frameworks (MOFs) with a high specific surface area are of great interest for applications in gas storage, separation, sensing, and catalysis. In the present work we report the synthesis of a novel composite architecture of MOF materials supported on a flexible mat of electrospun nanofibers. The system, based on three-dimensional interwoven nanofibers, was designed by using a low-cost and scalable multistep synthesis protocol involving a combination of electrospinning and low-temperature atomic layer deposition of oxide materials, and their subsequent solvothermal conversion under either conventional or microwave-assisted heating. This highly versatile approach allows the production of different types of supported MOF crystals with controlled sizes, morphology, orientation and high accessibility.Supported Metal Organic Frameworks (MOFs) with a high specific surface area are of great interest for applications in gas storage, separation, sensing, and catalysis. In the present work we report the synthesis of a novel composite architecture of MOF materials supported on a flexible mat of electrospun nanofibers. The system, based on three-dimensional interwoven nanofibers, was designed by using a low-cost and scalable multistep synthesis protocol involving a combination of electrospinning and low-temperature atomic layer deposition of oxide materials, and their subsequent solvothermal conversion under either conventional or microwave-assisted heating. This highly versatile approach allows the production of different types of supported MOF crystals with controlled sizes, morphology, orientation and high accessibility. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr06640e

  20. Ultra-high-speed spectropolarimeter based on photoelastic modulator.

    PubMed

    Zhang, Rui; Li, Kewu; Chen, Yuanyuan; Wen, Tingdun; Zhang, Minjuan; Wang, Yaoli; Xue, Peng; Wang, Zhibin

    2016-10-20

    Combined with the advantages of photoelastic modulator (PEM) ultra-high-speed modulation, this paper presents a method of ultra-high-speed spectropolarimeter based on PEM. The method provides the necessary measuring instruments for ultra-high-speed polarization spectroscopy. The main idea of this method is that an intensity modulator consisting of two retarders is placed before the PEM. The incident light under test goes through two retarders to the PEM. The interference signals are obtained by the PEM modulation. The different Stokes element interference signals are modulated by the PEM at different positions of the optical path difference. This method realizes the separation of Stokes element interference signals. The interference signals corresponding to each element are extracted, and the incident light Stokes element spectra can be obtained from the Fourier transforms of the interference signals. The modulation frequency of the PEM is high (tens to hundreds of kilohertz), so this method can realize ultra-high-speed full polarization spectroscopy. A prototype ultra-high-speed spectropolarimeter based on PEM was designed and tested. If the single-sided Fourier transformation is used, the single-sided interferogram scanning time is approximately 5 μs (i.e., the prototype is capable of scanning 20,000 interferograms per second). Polychromatic light polarization spectroscopy is measured by the prototype. The experimental results show that the average error of the prototype is less than 0.03.

  1. High throughput SNP detection system based on magnetic nanoparticles separation.

    PubMed

    Liu, Bin; Jia, Yingying; Ma, Man; Li, Zhiyang; Liu, Hongna; Li, Song; Deng, Yan; Zhang, Liming; Lu, Zhuoxuan; Wang, Wei; He, Nongyue

    2013-02-01

    Single-nucleotide polymorphism (SNP) was one-base variations in DNA sequence that can often be helpful to find genes associations for hereditary disease, communicable disease and so on. We developed a high throughput SNP detection system based on magnetic nanoparticles (MNPs) separation and dual-color hybridization or single base extension. This system includes a magnetic separation unit for sample separation, three high precision robot arms for pipetting and microtiter plate transferring respectively, an accurate temperature control unit for PCR and DNA hybridization and a high accurate and sensitive optical signal detection unit for fluorescence detection. The cyclooxygenase-2 gene promoter region--65G > C polymorphism locus SNP genotyping experiment for 48 samples from the northern Jiangsu area has been done to verify that if this system can simplify manual operation of the researchers, save time and improve efficiency in SNP genotyping experiments. It can realize sample preparation, target sequence amplification, signal detection and data analysis automatically and can be used in clinical molecule diagnosis and high throughput fluorescence immunological detection and so on.

  2. 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.

  3. High power density reactors based on direct cooled particle beds

    SciTech Connect

    Powell, J.R.; Horn, F.L.

    1985-01-01

    Reactors based on direct cooled 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 long the central channel of each element. Because of the very large heat transfer area in the packed beds, power densities in particle bed reactors (PBR's) 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. 12 figs.

  4. 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

  5. GPU-based high-performance computing for radiation therapy

    NASA Astrophysics Data System (ADS)

    Jia, Xun; Ziegenhein, Peter; Jiang, Steve B.

    2014-02-01

    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

    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.

  7. High Pressure-Temperature Phase Diagram of 1,1-diamino-2,2-dinitroethylene

    NASA Astrophysics Data System (ADS)

    Bishop, Matthew; Chellappa, Raja; Liu, Zhenxian; Preston, Daniel; Sandstrom, Mary; Dattelbaum, Dana; Vohra, Yogesh; Velisavljevic, Nenad

    2013-06-01

    1,1-diamino-2,2-dinitroethelyne (FOX-7) is a less sensitive energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ) . In this study, we have investigated the high P-T stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra confirmed the known α --> β (110 °C) and β --> γ (160 °C) phase transitions; as well as, indicated an additional phase transition, γ --> δ (210°C), with the δ phase being stable up to 250 °C prior to melt/decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa revealed that the α --> β transition occurs at 180 °C, while β --> β + δ phase transition shifted to 300 °C with suppression of γ phase. Decomposition was observed above 325 °C. Based on multiple high P-T measurements, we have established the first high P-T phase diagram of FOX-7. This work was, in part, supported by the US DOE under contract No. DE-AC52-06NA25396 and Science Campaign 2 Program. MB acknowledges additional support from the NSF BD program. Use of NSLS (DE-AC02-98CH10886) beamline U2A (COMPRES, No.EAR01-35554, CDAC).

  8. Identifying High-Rate Flows Based on Sequential Sampling

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Fang, Binxing; Luo, Hao

    We consider the problem of fast identification of high-rate flows in backbone links with possibly millions of flows. Accurate identification of high-rate flows is important for active queue management, traffic measurement and network security such as detection of distributed denial of service attacks. It is difficult to directly identify high-rate flows in backbone links because tracking the possible millions of flows needs correspondingly large high speed memories. To reduce the measurement overhead, the deterministic 1-out-of-k sampling technique is adopted which is also implemented in Cisco routers (NetFlow). Ideally, a high-rate flow identification method should have short identification time, low memory cost and processing cost. Most importantly, it should be able to specify the identification accuracy. We develop two such methods. The first method is based on fixed sample size test (FSST) which is able to identify high-rate flows with user-specified identification accuracy. However, since FSST has to record every sampled flow during the measurement period, it is not memory efficient. Therefore the second novel method based on truncated sequential probability ratio test (TSPRT) is proposed. Through sequential sampling, TSPRT is able to remove the low-rate flows and identify the high-rate flows at the early stage which can reduce the memory cost and identification time respectively. According to the way to determine the parameters in TSPRT, two versions of TSPRT are proposed: TSPRT-M which is suitable when low memory cost is preferred and TSPRT-T which is suitable when short identification time is preferred. The experimental results show that TSPRT requires less memory and identification time in identifying high-rate flows while satisfying the accuracy requirement as compared to previously proposed methods.

  9. 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.

  10. High speed capacitor-inverter based carbon nanotube full adder.

    PubMed

    Navi, K; Rashtian, M; Khatir, A; Keshavarzian, P; Hashemipour, O

    2010-03-18

    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.

  11. High-resolution Ground-based European Solar Physics

    NASA Astrophysics Data System (ADS)

    Collados, M.

    2008-12-01

    This communication reviews some of the most challenging topics in high-resolution ground-based Solar Physics. The most powerful European facilities are described, together with their capabilities and skills gained in Europe using them. The reasons for a large-aperture solar telescope are outlined, based on present scientific needs, which have led to the joint project EST (European Solar Telescope), in which the most prestigious European Solar Physics research institutions participate. Some technical challenges of a such a large telescope are mentioned.

  12. 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

  13. 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.

  14. An Economical Magnetocardiogram System Based on High-Tc SQUIDs

    NASA Astrophysics Data System (ADS)

    Li, Zhuo; Zhu, Xue-Min; Zhang, Li-Hua; Huang, Xu-Guang; Ren, Yu-Feng; Chen, Geng-Hua; Yang, Qian-Sheng; Feng, Ji

    2006-08-01

    An economical magnetocardiogram (MCG) system is built in our laboratory. It mainly consists of a MCG data acquisition stage equipped with two high-Tc superconducting quantum interference device (SQUID) magnetometers, a data processing stage with digital filtering and a one-layer μ-metal magnetically shielded room in conjunction with a high-Tc SQUID based active compensation. Experimental results show that a noise level of pico-tesla in MCG profiles, which is necessary for clinical applications, may be achieved with the system. Moreover, stable and convenient operations of the system are demonstrated with simulating MCG measurements.

  15. 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.

  16. High-speed quantitative interferometric microscopy based phase imaging cytometer

    NASA Astrophysics Data System (ADS)

    Xue, Liang; Sun, Nan; Yan, Keding; Liu, Fei; Wang, Shouyu

    2014-11-01

    The paper proposed a simple large scale bio-sample phase detecting equipment called gravity driven phase detecting cytometer, which is based on quantitative interferometric microscopy to realize flowing red blood cells phase distribution detection. The method has advantages on high throughput phase detecting and statistical analysis with high detecting speed and in real-time. The statistical characteristics of red blood cells are useful for biological analysis and disease detection. We believe this method is shedding more light on quantitatively measurement of the phase distribution of bio-samples.

  17. 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.

  18. Plasma-based polarization modulator for high-intensity lasers

    NASA Astrophysics Data System (ADS)

    Chen, Zi-Yu; Pukhov, Alexander

    2016-12-01

    Manipulation of laser pulses at high intensities is an important yet challenging issue. New types of plasma-based optical devices are promising alternatives to achieve this goal. Here we propose to modulate the polarization state of intense lasers based on oblique reflection from solid-plasma surfaces. A new analytical description is presented considering the plasma as an uniaxial medium that causes birefringence effect. Particle-in-cell simulation results numerically demonstrate that such a scheme can provide a tunable polarization control of the laser pulses even in the relativistic regime. The results are thus relevant for the design of compact, easy to use, and versatile polarization modulators for high-intensity laser pulses.

  19. A high energy output nanogenerator based on reduced graphene oxide.

    PubMed

    Li, Weiping; Zhang, Yupeng; Liu, Liangliang; Li, Delong; Liao, Lei; Pan, Chunxu

    2015-11-21

    In this paper, we report a novel graphene-based nanogenerator for high energy harvesting. Experimental and theoretical results revealed that the energy output mechanism is the joint action of the strain effect (band engineering) and the triboelectric effect of reduced graphene oxide. It was found that the current could be adjusted by experimental parameters, such as the electrolyte concentration and rotation rate. Furthermore, the voltage output could be amplified by series connection of the system. Compared with other nanogenerators, the present graphene-based nanogenerator provides advantages, such as simple assembly, flexibility and high structural stability. It is expected that this nanogenerator will be of potential application in active sensors and sustainable power sources.

  20. 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.

  1. 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

  2. Fano resonance based ultra high-contrast electromagnetic switch

    NASA Astrophysics Data System (ADS)

    Amin, Muhammad; Ramzan, Rashad; Siddiqui, Omar

    2017-05-01

    We experimentally achieve highly asymmetrical enhanced-Q Fano resonances in metallic electromagnetic structures fabricated on conductive planes. We show that the complete destructive interference mechanism of the dark and bright resonant modes generated by a pair of electromagnetically coupled open-ended conductive arms can lead to the asymmetric resonance characterized by a near-unity transparency window followed by a deep scattering band. With the incorporation of a variable capacitor between the coupled metallic strips, the dynamic tunability of the resonant modes is achieved, which can be exploited in high isolation switches and modulators in the GHz spectrum. The switching contrast of over 50 dB achieved through Fano resonance is much higher considering its compact size (i.e., the transmission path is much smaller than the wavelength λ / 30 ). The dispersion based tunable Fano switch offers several advantages over conventional microelectromechanical system and CMOS based switches.

  3. Phase Transition in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under Static Compression: An Application of the First-Principles Method Specialized for CHNO Solid Explosives.

    PubMed

    Zhang, Lei; Jiang, Sheng-Li; Yu, Yi; Long, Yao; Zhao, Han-Yue; Peng, Li-Juan; Chen, Jun

    2016-11-10

    The first-principles method is challenged by accurate prediction of van der Waals interactions, which are ubiquitous in nature and crucial for determining the structure of molecules and condensed matter. We have contributed to this by constructing a set of pseudopotentials and pseudoatomic orbital basis specialized for molecular systems consisting of C/H/N/O elements. The reliability of the present method is verified from the interaction energies of 45 kinds of complexes (comparing with CCSD(T)) and the crystalline structures of 23 kinds of typical explosive solids (comparing with experiments). Using this method, we have studied the phase transition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under static compression up to 50 GPa. Kinetically, intramolecular deformation has priority in the competition with intermolecular packing deformation by ∼87%. A possible γ → β phase transition is found at around 2.10 GPa, and the migration of H2O has an effect of kinetically pushing this process. We make it clear that no β → δ/ε → δ phase transition occurs at 27 GPa, which has long been a hot debate in experiments. In addition, the P-V relation, bulk modulus, and acoustic velocity are also predicted for α-, δ-, and γ-HMX, which are experimentally unavailable.

  4. 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.

  5. Highly Sensitive Flexible Magnetic Sensor Based on Anisotropic Magnetoresistance Effect.

    PubMed

    Wang, Zhiguang; Wang, Xinjun; Li, Menghui; Gao, Yuan; Hu, Zhongqiang; Nan, Tianxiang; Liang, Xianfeng; Chen, Huaihao; Yang, Jia; Cash, Syd; Sun, Nian-Xiang

    2016-11-01

    A highly sensitive flexible magnetic sensor based on the anisotropic magnetoresistance effect is fabricated. A limit of detection of 150 nT is observed and excellent deformation stability is achieved after wrapping of the flexible sensor, with bending radii down to 5 mm. The flexible AMR sensor is used to read a magnetic pattern with a thickness of 10 μm that is formed by ferrite magnetic inks.

  6. 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

  7. 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.

  8. Synthesis of 14C-Labelled Octahydor-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine (HMx0 and 15N-Isotopic Hexahyrro-1,3,5-Trinitro-1,3,5-Triazine (RDX) for use in Microcosm Experiments.

    DTIC Science & Technology

    2000-02-01

    bioremediation process. To synthesize C(14)HMX, acetylation of labelled hexamethylenetetramine (C(14)HMTA) was done yielding 3,7-diacetyl-1,3,5,7... hexamethylenetetramine (N(15)HMTA) was done according to the Hale Process. N(15)HMTA was prepared by reaching cold formaldehyde with isotopic nitrogen-15 ammonium hydroxide.

  9. High performance, LED powered, waveguide based total internal reflection microscopy

    PubMed Central

    Ramachandran, Srinivasan; Cohen, Daniel A.; Quist, Arjan P.; Lal, Ratnesh

    2013-01-01

    Total internal reflection fluorescence (TIRF) microscopy is a rapidly expanding optical technique with excellent surface sensitivity and limited background fluorescence. Commercially available TIRF systems are either objective based that employ expensive special high numerical aperture (NA) objectives or prism based that restrict integrating other modalities of investigation for structure-function analysis. Both techniques result in uneven illumination of the field of view and require training and experience in optics. Here we describe a novel, inexpensive, LED powered, waveguide based TIRF system that could be used as an add-on module to any standard fluorescence microscope even with low NA objectives. This system requires no alignment, illuminates the entire field evenly, and allows switching between epifluorescence/TIRF/bright field modes without adjustments or objective replacements. The simple design allows integration with other imaging systems, including atomic force microscopy (AFM), for probing complex biological systems at their native nanoscale regimes. PMID:23823601

  10. High molecular weight polyglycerol-based multivalent mannose conjugates.

    PubMed

    Kizhakkedathu, Jayachandran N; Creagh, A Louise; Shenoi, Rajesh A; Rossi, Nicholas A A; Brooks, Donald E; Chan, Timmy; Lam, Jonathan; Dandepally, Srinivasa R; Haynes, Charles A

    2010-10-11

    We report the synthesis and characterization of multivalent mannose conjugates based on high molecular weight hyperbranched polyglycerols (HPG). A range of glycoconjugates were synthesized from high molecular weight HPGs (up to 493 kDa) and varying mannose units (22-303 per HPG). Hemagglutination assays using fresh human red blood cells and concanavalin A (Con A) showed that HPG-mannose conjugates exhibited a large enhancement in the relative potency of conjugates (as high as 40000) along with a significant increment in relative activity per sugar (up to 255). The size of the HPG scaffold and the number of mannose residues per HPG were all shown to influence the enhancement of binding interactions with Con A. Isothermal titration calorimetry (ITC) experiments confirmed the enhanced binding affinity and showed that both molecular size and ligand density play important roles. The enhancement in Con A binding to the high molecular weight HPG-mannose conjugates is due to a combination of inter- and intramolecular mannose binding. A few fold increments in the binding constant were obtained over mannose upon covalent attachment to HPG. The binding enhancement is due to the highly favorable entropic contribution to the multiple interactions of Con A to mannose residues on HPG. The high molecular weight HPG-mannose conjugates showed positive cooperativity in binding to Con A. Although carbohydrate density has less of an effect on functional valency of the conjugate compared to the molecular size, it determines the binding affinity.

  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. 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.

  13. Improved pulse laser ranging algorithm based on high speed sampling

    NASA Astrophysics Data System (ADS)

    Gao, Xuan-yi; Qian, Rui-hai; Zhang, Yan-mei; Li, Huan; Guo, Hai-chao; He, Shi-jie; Guo, Xiao-kang

    2016-10-01

    Narrow pulse laser ranging achieves long-range target detection using laser pulse with low divergent beams. Pulse laser ranging is widely used in military, industrial, civil, engineering and transportation field. In this paper, an improved narrow pulse laser ranging algorithm is studied based on the high speed sampling. Firstly, theoretical simulation models have been built and analyzed including the laser emission and pulse laser ranging algorithm. An improved pulse ranging algorithm is developed. This new algorithm combines the matched filter algorithm and the constant fraction discrimination (CFD) algorithm. After the algorithm simulation, a laser ranging hardware system is set up to implement the improved algorithm. The laser ranging hardware system includes a laser diode, a laser detector and a high sample rate data logging circuit. Subsequently, using Verilog HDL language, the improved algorithm is implemented in the FPGA chip based on fusion of the matched filter algorithm and the CFD algorithm. Finally, the laser ranging experiment is carried out to test the improved algorithm ranging performance comparing to the matched filter algorithm and the CFD algorithm using the laser ranging hardware system. The test analysis result demonstrates that the laser ranging hardware system realized the high speed processing and high speed sampling data transmission. The algorithm analysis result presents that the improved algorithm achieves 0.3m distance ranging precision. The improved algorithm analysis result meets the expected effect, which is consistent with the theoretical simulation.

  14. Laser-based strain measurements for high temperature applications

    NASA Technical Reports Server (NTRS)

    Lant, Christian T.

    1992-01-01

    The Instrumentation and Control Technology Division at NASA Lewis Research Center has developed a high performance optical strain measurement system for high temperature applications using wires and fibers. The system is based on Yamaguchi's two-beam speckle-shift strain measurement technique. The system automatically calculates surface strains at a rate of 5 Hz using a digital signal processor in a high speed micro-computer. The system is fully automated, and can be operated remotely. This report describes the speckle-shift technique and the latest NASA system design. It also shows low temperature strain test results obtained from small diameter tungsten, silicon carbide, and sapphire specimens. These specimens are of interest due to their roles in composite materials research at NASA Lewis.

  15. Highly crystalline MOF-based materials grown on electrospun nanofibers.

    PubMed

    Bechelany, M; Drobek, M; Vallicari, C; Abou Chaaya, A; Julbe, A; Miele, P

    2015-03-19

    Supported Metal Organic Frameworks (MOFs) with a high specific surface area are of great interest for applications in gas storage, separation, sensing, and catalysis. In the present work we report the synthesis of a novel composite architecture of MOF materials supported on a flexible mat of electrospun nanofibers. The system, based on three-dimensional interwoven nanofibers, was designed by using a low-cost and scalable multistep synthesis protocol involving a combination of electrospinning and low-temperature atomic layer deposition of oxide materials, and their subsequent solvothermal conversion under either conventional or microwave-assisted heating. This highly versatile approach allows the production of different types of supported MOF crystals with controlled sizes, morphology, orientation and high accessibility.

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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.