Science.gov

Sample records for carbon deflagration model

  1. CARBON DEFLAGRATION IN TYPE Ia SUPERNOVA. I. CENTRALLY IGNITED MODELS

    SciTech Connect

    Ma, H.; Woosley, S. E.; Malone, C. M.; Almgren, A.; Bell, J.

    2013-07-01

    A leading model for Type Ia supernovae (SNe Ia) begins with a white dwarf near the Chandrasekhar mass that ignites a degenerate thermonuclear runaway close to its center and explodes. In a series of papers, we shall explore the consequences of ignition at several locations within such dwarfs. Here we assume central ignition, which has been explored before, but is worth revisiting, if only to validate those previous studies and to further elucidate the relevant physics for future work. A perturbed sphere of hot iron ash with a radius of {approx}100 km is initialized at the middle of the star. The subsequent explosion is followed in several simulations using a thickened flame model in which the flame speed is either fixed-within the range expected from turbulent combustion-or based on the local turbulent intensity. Global results, including the explosion energy and bulk nucleosynthesis (e.g., {sup 56}Ni of 0.48-0.56 M{sub Sun }) turn out to be insensitive to this speed. In all completed runs, the energy released by the nuclear burning is adequate to unbind the star, but not enough to give the energy and brightness of typical SNe Ia. As found previously, the chemical stratification observed in typical events is not reproduced. These models produce a large amount of unburned carbon and oxygen in central low velocity regions, which is inconsistent with spectroscopic observations, and the intermediate mass elements and iron group elements are strongly mixed during the explosion.

  2. PRODUCTION OF THE p-PROCESS NUCLEI IN THE CARBON-DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE

    SciTech Connect

    Kusakabe, Motohiko; Iwamoto, Nobuyuki; Nomoto, Ken'ichi E-mail: iwamoto.nobuyuki@jaea.go.jp

    2011-01-01

    We calculate the nucleosynthesis of proton-rich isotopes in the carbon-deflagration model for Type Ia supernovae (SNe Ia). The seed abundances are obtained by calculating the s-process nucleosynthesis that is expected to occur in the repeating helium shell flashes on the carbon-oxygen (CO) white dwarf (WD) during mass accretion from a binary companion. When the deflagration wave passes through the outer layer of the CO WD, p-nuclei are produced by photodisintegration reactions on s-nuclei in a region where the peak temperature ranges from 1.9 to 3.6 x 10{sup 9} K. We confirm the sensitivity of the p-process on the initial distribution of s-nuclei. We show that the initial C/O ratio in the WD does not affect much the yield of p-nuclei. On the other hand, the abundance of {sup 22}Ne left after s-processing has a large influence on the p-process via the {sup 22}Ne({alpha},n) reaction. We find that about 50% of p-nuclides are co-produced when normalized to their solar abundances in all adopted cases of seed distribution. Mo and Ru, which are largely underproduced in Type II supernovae (SNe II), are produced more than in SNe II although they are underproduced with respect to the yield levels of other p-nuclides. The ratios between p-nuclei and iron in the ejecta are larger than the solar ratios by a factor of 1.2. We also compare the yields of oxygen, iron, and p-nuclides in SNe Ia and SNe II and suggest that SNe Ia could make a larger contribution than SNe II to the solar system content of p-nuclei.

  3. Collapse of accreting carbon-oxygen white dwarfs induced by carbon deflagration at high density

    SciTech Connect

    Nomoto, K.

    1986-01-01

    A critical condition is obtained for which carbon deflagration induces collapse of an accreting C + O white dwarf, not explosion. If the carbon deflagration is initiated at central density as high as 10/sup 10/ g cm/sup -3/ and if the propagation of the deflagration wave is slower than approx. 0.15 upsilon/sub s/ (upsilon/sub s/ is the sound speed), electron capture behind the burning front induces collapse to form a neutron star. This is the case for both conductive and convective deflagrations. Such a high central density can be reached if the white dwarf is sufficiently massive and cold at the onset of accretion and if the accretion rate is in the appropriate range. Models for Type Ia and Ib supernovae are also discussed. 66 refs., 8 figs.

  4. The p-Process in the Carbon Deflagration Model for Type Ia Supernovae and Chronology of the Solar System Formation

    SciTech Connect

    Kusakabe, Motohiko; Iwamoto, Nobuyuki; Nomoto, Ken'ichi

    2006-07-12

    We study nucleosynthesis of p-nuclei in the carbon deflagration model for Type Ia supernovae (SNe Ia) by assuming that seed nuclei are produced by the s-process in accreting layers on a carbon-oxygen white dwarf during mass accretion from a binary companion. We find that about 50 % of the p-nuclides are synthesized in proportion to the solar abundance and that p-isotopes of Mo and Ru which are significantly underproduced in Type II supernovae (SNe II) are produced up to a level close to other p-nuclei. Comparing the yields of iron and p-nuclei in SNe Ia we find that SNe Ia can contribute to the galactic evolution of the p-nuclei. Next, we consider nucleochronology of the solar system formation by using four radioactive nuclides and apply the result of the p-process nucleosynthesis to simple galactic chemical evolution models. We find that when assumed three phases of interstellar medium are mixed by the interdiffusion with the timescale of about 40 Myr 53Mn/55Mn value in the early solar system is consistent with a meteoritic value. In addition, we put constraints to a scenario that SNe Ia induce the core collapse of the molecular cloud, which leads to the formation of the solar system.

  5. Modeling deflagration waves out of hot spots

    NASA Astrophysics Data System (ADS)

    Partom, Yehuda

    2017-01-01

    It is widely accepted that shock initiation and detonation of heterogeneous explosives comes about by a two-step process known as ignition and growth. In the first step a shock sweeping through an explosive cell (control volume) creates hot spots that become ignition sites. In the second step, deflagration waves (or burn waves) propagate out of those hot spots and transform the reactant in the cell into reaction products. The macroscopic (or average) reaction rate of the reactant in the cell depends on the speed of those deflagration waves and on the average distance between neighboring hot spots. Here we simulate the propagation of deflagration waves out of hot spots on the mesoscale in axial symmetry using a 2D hydrocode, to which we add heat conduction and bulk reaction. The propagation speed of the deflagration waves may depend on both pressure and temperature. It depends on pressure for quasistatic loading near ambient temperature, and on temperature at high temperatures resulting from shock loading. From the simulation we obtain deflagration fronts emanating out of the hot spots. For 8 to 13 GPa shocks, the emanating fronts propagate as deflagration waves to consume the explosive between hot spots. For higher shock levels deflagration waves may interact with the sweeping shock to become detonation waves on the mesoscale. From the simulation results we extract average deflagration wave speeds.

  6. Multilevel model for magnetic deflagration in nanomagnet crystals

    NASA Astrophysics Data System (ADS)

    Jukimenko, O.; Modestov, M.; Dion, C. M.; Marklund, M.; Bychkov, V.

    2017-05-01

    We extend the existing theoretical model for determining the characteristic features of magnetic deflagration in nanomagnet crystals. For the first time, all energy levels are accounted for calculation of the the Zeeman energy, the deflagration velocity, and other parameters. It reduces the final temperature and significantly changes the propagation velocity of the spin-flipping front. We also consider the effect of a strong transverse magnetic field, and show that the latter significantly modifies the spin-state structure, leading to an uncertainty concerning the activation energy of the spin flipping. Our front velocity prediction for a crystal of Mn12 acetate in a longitudinal magnetic field is in much better agreement with experimental data than the previous reduced-model results.

  7. Deflagrating white dwarfs: a Type Ia supernova model

    NASA Astrophysics Data System (ADS)

    Calder, A. C.; Plewa, T.; Vladimirova, N.; Brown, E. F.; Lamb, D. Q.; Robinson, K.; Truran, J. W.

    2003-12-01

    We present multidimensional simulations of deflagrating Chandrasekhar-mass C/O white dwarfs for both centered and off-centered ignition. Type Ia supernovae are thought to be thermonuclear explosions of Chandrasekhar-mass C/O white dwarfs. These events are used as ``standard candles" for investigating the structure of the Universe and play a fundamental role in galactic chemical evolution. Despite their importance, the exact nature of the explosion mechanism remains unsolved. Observations of intermediate mass elements such as Si, S, Mg indicate that the explosion begins as a deflagration. Our simulations utilize a custom implementation of the ``thick flame" model of Khokhlov for the sub-grid-scale nuclear flame. We present results of an extensive 1- and 2-dimensional parameter study of these events. We present three-dimensional whole-star deflagrations investigating the effect of centered vs. off-center ignition. Our results indicate that a slightly off-center ignition leads to a result that is not compatible with observations, providing constraints on conditions in the central region of the white dwarf prior to ignition. This work was supported by the DOE ASCI/Alliances program at the University of Chicago under grant No. B341495.

  8. Engineering models of deflagration-to-detonation transition

    SciTech Connect

    Bdzil, J.B.; Son, S.F.

    1995-07-01

    For the past two years, Los Alamos has supported research into the deflagration-to-detonation transition (DDT) in damaged energetic materials as part of the explosives safety program. This program supported both a theory/modeling group and an experimentation group. The goal of the theory/modeling group was to examine the various modeling structures (one-phase models, two-phase models, etc.) and select from these a structure suitable to model accidental initiation of detonation in damaged explosives. The experimental data on low-velocity piston supported DDT in granular explosive was to serve as a test bed to help in the selection process. Three theoretical models have been examined in the course of this study: (1) the Baer-Nunziato (BN) model, (2) the Stewart-Prasad-Asay (SPA) model and (3) the Bdzil-Kapila-Stewart model. Here we describe these models, discuss their properties, and compare their features.

  9. Modelling propagation of deflagration waves out of hot spots

    NASA Astrophysics Data System (ADS)

    Partom, Yehuda

    2015-06-01

    It is widely accepted that shock initiation and detonation of heterogeneous explosives come about by a two-step process known as ignition and growth. In the first step a shock sweeping an explosive cell (control volume) creates hot spots that become ignition sites. In the second step deflagration waves (or burn waves) propagate out of those hot spots and transform the reactant in the cell into reaction products. The macroscopic (or average) reaction rate of the reactant in a cell depends on the speed of those deflagration waves and on the average distance between neighbouring hot spots. Here we simulate the propagation of deflagration waves out of hot spots on the mesoscale in axial symmetry using a 2D hydrocode, to which we add heat conduction and bulk reaction. The propagation speed of the deflagration wave depends on both pressure and temperature, where pressure dependence is dominant at low shock level, and temperature dependence is dominant at a higher shock level. From the simulation we obtain deflagration (or burn) fronts emanating out of the hot spots. For intermediate shock levels the deflagration waves consume the explosive between hot spots. For higher shock levels the deflagration waves strengthen to become detonation waves on the mesoscale. From the simulation results we extract average deflagration wave speeds and show how they depend on reaction rate and on other material parameters.

  10. Numerical modeling of deflagration mode in coaxial plasma guns

    NASA Astrophysics Data System (ADS)

    Sitaraman, Hariswaran; Raja, Laxminarayan

    2012-10-01

    Pulsed coaxial plasma guns have been used in several applications in the field of space propulsion, nuclear fusion and materials processing. These devices operate in two modes based on the delay between gas injection and breakdown initiation. Larger delay led to the plasma detonation mode where a compression wave in the form of a luminous front propagates from the breech to the muzzle. Shorter delay led to the more efficient deflagration mode characterized by a relatively diffuse plasma with higher resistivity. The overall physics of the discharge in the two modes of operation and in particular the latter remain relatively unexplored. Here we perform a computational modeling study by solving the non-ideal Magneto-hydrodynamics equations for the quasi-neutral plasma in the coaxial plasma gun. A finite volume formulation on an unstructured mesh framework with an implicit scheme is used to do stable computations. The final work will present details of important species in the plasma, particle energies and Mach number at the muzzle. A comparison of the plasma parameters will be made with the experiments reported in ref. [1]. [4pt] [1] F. R. Poehlmann et al., Phys. Plasmas 17, 123508 (2010)

  11. Deflagrations and detonations in thermonuclear supernovae.

    PubMed

    Gamezo, Vadim N; Khokhlov, Alexei M; Oran, Elaine S

    2004-05-28

    We study a type Ia supernova explosion using three-dimensional numerical simulations based on reactive fluid dynamics. We consider a delayed-detonation model that assumes a deflagration-to-detonation transition. In contrast with the pure deflagration model, the delayed-detonation model releases enough energy to account for a healthy explosion, and does not leave carbon, oxygen, and intermediate-mass elements in central parts of a white dwarf. This removes the key disagreement between simulations and observations, and makes a delayed detonation the mostly likely mechanism for type Ia supernovae.

  12. Deflagration Wave Profiles

    SciTech Connect

    Menikoff, Ralph

    2012-04-03

    Shock initiation in a plastic-bonded explosives (PBX) is due to hot spots. Current reactive burn models are based, at least heuristically, on the ignition and growth concept. The ignition phase occurs when a small localized region of high temperature (or hot spot) burns on a fast time scale. This is followed by a growth phase in which a reactive front spreads out from the hot spot. Propagating reactive fronts are deflagration waves. A key question is the deflagration speed in a PBX compressed and heated by a shock wave that generated the hot spot. Here, the ODEs for a steady deflagration wave profile in a compressible fluid are derived, along with the needed thermodynamic quantities of realistic equations of state corresponding to the reactants and products of a PBX. The properties of the wave profile equations are analyzed and an algorithm is derived for computing the deflagration speed. As an illustrative example, the algorithm is applied to compute the deflagration speed in shock compressed PBX 9501 as a function of shock pressure. The calculated deflagration speed, even at the CJ pressure, is low compared to the detonation speed. The implication of this are briefly discussed.

  13. TURBULENCE IN A THREE-DIMENSIONAL DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE. II. INTERMITTENCY AND THE DEFLAGRATION-TO-DETONATION TRANSITION PROBABILITY

    SciTech Connect

    Schmidt, W.; Niemeyer, J. C.; Ciaraldi-Schoolmann, F.; Roepke, F. K.; Hillebrandt, W.

    2010-02-20

    The delayed detonation model describes the observational properties of the majority of Type Ia supernovae very well. Using numerical data from a three-dimensional deflagration model for Type Ia supernovae, the intermittency of the turbulent velocity field and its implications on the probability of a deflagration-to-detonation (DDT) transition are investigated. From structure functions of the turbulent velocity fluctuations, we determine intermittency parameters based on the log-normal and the log-Poisson models. The bulk of turbulence in the ash regions appears to be less intermittent than predicted by the standard log-normal model and the She-Leveque model. On the other hand, the analysis of the turbulent velocity fluctuations in the vicinity of the flame front by Roepke suggests a much higher probability of large velocity fluctuations on the grid scale in comparison to the log-normal intermittency model. Following Pan et al., we computed probability density functions for a DDT for the different distributions. The determination of the total number of regions at the flame surface, in which DDTs can be triggered, enables us to estimate the total number of events. Assuming that a DDT can occur in the stirred flame regime, as proposed by Woosley et al., the log-normal model would imply a delayed detonation between 0.7 and 0.8 s after the beginning of the deflagration phase for the multi-spot ignition scenario used in the simulation. However, the probability drops to virtually zero if a DDT is further constrained by the requirement that the turbulent velocity fluctuations reach about 500 km s{sup -1}. Under this condition, delayed detonations are only possible if the distribution of the velocity fluctuations is not log-normal. From our calculations follows that the distribution obtained by Roepke allow for multiple DDTs around 0.8 s after ignition at a transition density close to 1 x 10{sup 7} g cm{sup -3}.

  14. The piston-flow interaction as a model for the deflagration-to-detonation transition

    SciTech Connect

    Brailovsky, Irina; Kagan, Leonid; Sivashinsky, Gregory

    2011-01-15

    The piston-flow interaction induced by a piston pushing hydraulically resisted gas through a long tube is discussed. It is shown that the hydraulic resistance causes a significant precompression and preheating of the gas adjacent to the piston's edge. In the case of an explosive premixture this development may lead to a localized autoignition triggering detonation. It is suggested that the problem may serve as a guide for understanding the deflagration-to-detonation transition in tubes, with the piston modeling the impact of the advancing flame. (author)

  15. Benchmarking Of Improved DPAC Transient Deflagration Analysis Code

    SciTech Connect

    Laurinat, James E.; Hensel, Steve J.

    2013-03-21

    The transient deflagration code DPAC (Deflagration Pressure Analysis Code) has been upgraded for use in modeling hydrogen deflagration transients. The upgraded code is benchmarked using data from vented hydrogen deflagration tests conducted at the HYDRO-SC Test Facility at the University of Pisa. DPAC originally was written to calculate peak deflagration pressures for deflagrations in radioactive waste storage tanks and process facilities at the Savannah River Site. Upgrades include the addition of a laminar flame speed correlation for hydrogen deflagrations and a mechanistic model for turbulent flame propagation, incorporation of inertial effects during venting, and inclusion of the effect of water vapor condensation on vessel walls. In addition, DPAC has been coupled with CEA, a NASA combustion chemistry code. The deflagration tests are modeled as end-to-end deflagrations. The improved DPAC code successfully predicts both the peak pressures during the deflagration tests and the times at which the pressure peaks.

  16. TURBULENCE IN A THREE-DIMENSIONAL DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE. I. SCALING PROPERTIES

    SciTech Connect

    Ciaraldi-Schoolmann, F.; Schmidt, W.; Niemeyer, J. C.; Roepke, F. K.; Hillebrandt, W.

    2009-05-10

    We analyze the statistical properties of the turbulent velocity field in the deflagration model for Type Ia supernovae. In particular, we consider the question of whether turbulence is isotropic and consistent with the Kolmogorov theory at small length scales. Using numerical data from a high-resolution simulation of a thermonuclear supernova explosion, spectra of the turbulence energy and velocity structure functions are computed. We show that the turbulent velocity field is isotropic at small length scales and follows a scaling law that is consistent with the Kolmogorov theory until most of the nuclear fuel is burned. At length scales greater than a certain characteristic scale that agrees with the prediction of Niemeyer and Woosley, turbulence becomes anisotropic. Here, the radial velocity fluctuations follow the scaling law of the Rayleigh-Taylor instability, whereas the angular component still obeys the Kolmogorov scaling. In the late phase of the explosion, this characteristic scale drops below the numerical resolution of the simulation. The analysis confirms that a subgrid-scale model for the unresolved turbulence energy is required for the consistent calculation of the flame speed in deflagration models of Type Ia supernovae, and that the assumption of isotropy on these scales is appropriate.

  17. Two-phase modeling of deflagration-to-detonation transition in granular materials: Reduced equations

    NASA Astrophysics Data System (ADS)

    Kapila, A. K.; Menikoff, R.; Bdzil, J. B.; Son, S. F.; Stewart, D. S.

    2001-10-01

    Of the two-phase mixture models used to study deflagration-to-detonation transition in granular explosives, the Baer-Nunziato model is the most highly developed. It allows for unequal phase velocities and phase pressures, and includes source terms for drag and compaction that strive to erase velocity and pressure disequilibria. Since typical time scales associated with the equilibrating processes are small, source terms are stiff. This stiffness motivates the present work where we derive two reduced models in sequence, one with a single velocity and the other with both a single velocity and a single pressure. These reductions constitute outer solutions in the sense of matched asymptotic expansions, with the corresponding inner layers being just the partly dispersed shocks of the full model. The reduced models are hyperbolic and are mechanically as well as thermodynamically consistent with the parent model. However, they cannot be expressed in conservation form and hence require a regularization in order to fully specify the jump conditions across shock waves. Analysis of the inner layers of the full model provides one such regularization [Kapila et al., Phys. Fluids 9, 3885 (1997)], although other choices are also possible. Dissipation associated with degrees of freedom that have been eliminated is restricted to the thin layers and is accounted for by the jump conditions.

  18. MESOSCALE MODELING OF DEFLAGRATION-INDUCED DECONSOLIDATION IN POLYMER-BONDED EXPLOSIVES

    SciTech Connect

    Springer, H K; Glascoe, E A; Reaugh, J E; Kercher, J R; Maienschein, J L

    2011-08-01

    Initially undamaged polymer-bonded explosives can transition from conductive burning to more violent convective burning via rapid deconsolidation at higher pressures. The pressure-dependent infiltration of cracks and pores, i.e., damage, by product gases at the burn-front is a key step in the transition to convective burning. However, the relative influence of pre-existing damage and the evolution of deflagration-induced damage during the transition to convective burning is not well understood. The objective of this study is to investigate the role of microstructure and initial pressurization on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX-Viton A served as our model explosive. A Prout-Tompkins chemical kinetic model, Vielle's Law pressure-dependent burning, Gruneisen equation-of-state, and simplified strength model were used for the HMX. The propensity for deconsolidation increased with increasing defect size and decreasing initial pressurization, as measured by the increase in burning surface area. These studies are important because they enable the development of continuum-scale damage models and the design of inherently safer explosives.

  19. 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.

  20. 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.

  1. The Deflagration Stage of Chandrasekhar Mass Models for Type Ia Supernovae. I. Early Evolution

    NASA Astrophysics Data System (ADS)

    Malone, C. M.; Nonaka, A.; Woosley, S. E.; Almgren, A. S.; Bell, J. B.; Dong, S.; Zingale, M.

    2014-02-01

    We present high-resolution, full-star simulations of the post-ignition phase of Type Ia supernovae using the compressible hydrodynamics code Castro. Initial conditions, including the turbulent velocity field and ignition site, are imported directly from a simulation of the last few hours of presupernova convection using a low Mach number code, Maestro. Adaptive mesh refinement allows the initial burning front to be modeled with an effective resolution of 36,8643 zones (136 m zone-1). The initial rise and expansion of the deflagration front are tracked until burning reaches the star's edge and the role of the background turbulence on the flame is investigated. The effect of artificially moving the ignition location closer to the star's center is explored. The degree to which turbulence affects the burning front decreases with increasing ignition radius since the buoyancy force is stronger at larger radii. Even central ignition—in the presence of a background convective flow field—is rapidly carried off-center as the flame is carried by the flow field. We compare our results to analytic models for burning thermals, and find that they reproduce the general trends of the bubble's size and mass, but underpredict the amount of buoyant acceleration due to simplifying assumptions of the bubble's properties. Overall, we find that the amount of mass that burns prior to flame break out is small, consistent with a "gravitationally confined detonation" occurring at a later epoch, but additional burning will occur following breakout that may modify this conclusion.

  2. The delayed-detonation model of a type Ia supernovae. 1: The deflagration phase

    NASA Technical Reports Server (NTRS)

    Arnett, David; Livne, Eli

    1994-01-01

    The nature of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is investigated by using two-dimensional numerical hydrodynamics simulations. A new algorithm is used to treat the deflagration front. Assuming that it propagates locally at the laminar flame speed, the deflagration is insufficient to unbind the star. Expansion shuts of the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. The burning front does become wrinkled, but the wavelength of the instability is much larger than the computational grid size and is resolved; this is consistent with previous analysis. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. This paper deals with the deflagration phase, from the onset of burning, through expansion and quenching of the flame, to the first contraction.

  3. The delayed-detonation model of a type Ia supernovae. 1: The deflagration phase

    NASA Technical Reports Server (NTRS)

    Arnett, David; Livne, Eli

    1994-01-01

    The nature of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is investigated by using two-dimensional numerical hydrodynamics simulations. A new algorithm is used to treat the deflagration front. Assuming that it propagates locally at the laminar flame speed, the deflagration is insufficient to unbind the star. Expansion shuts of the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. The burning front does become wrinkled, but the wavelength of the instability is much larger than the computational grid size and is resolved; this is consistent with previous analysis. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. This paper deals with the deflagration phase, from the onset of burning, through expansion and quenching of the flame, to the first contraction.

  4. Three-dimensional simulations of pure deflagration models for thermonuclear supernovae

    SciTech Connect

    Long, Min; Jordan, George C. IV; Van Rossum, Daniel R.; Diemer, Benedikt; Graziani, Carlo; Kessler, Richard; Rich, Paul; Lamb, Don Q.; Meyer, Bradley

    2014-07-10

    We present a systematic study of the pure deflagration model of Type Ia supernovae (SNe Ia) using three-dimensional, high-resolution, full-star hydrodynamical simulations, nucleosynthetic yields calculated using Lagrangian tracer particles, and light curves calculated using radiation transport. We evaluate the simulations by comparing their predicted light curves with many observed SNe Ia using the SALT2 data-driven model and find that the simulations may correspond to under-luminous SNe Iax. We explore the effects of the initial conditions on our results by varying the number of randomly selected ignition points from 63 to 3500, and the radius of the centered sphere they are confined in from 128 to 384 km. We find that the rate of nuclear burning depends on the number of ignition points at early times, the density of ignition points at intermediate times, and the radius of the confining sphere at late times. The results depend primarily on the number of ignition points, but we do not expect this to be the case in general. The simulations with few ignition points release more nuclear energy E{sub nuc}, have larger kinetic energies E{sub K}, and produce more {sup 56}Ni than those with many ignition points, and differ in the distribution of {sup 56}Ni, Si, and C/O in the ejecta. For these reasons, the simulations with few ignition points exhibit higher peak B-band absolute magnitudes M{sub B} and light curves that rise and decline more quickly; their M{sub B} and light curves resemble those of under-luminous SNe Iax, while those for simulations with many ignition points are not.

  5. The deflagration stage of Chandrasekhar mass models for type Ia supernovae. I. Early evolution

    SciTech Connect

    Malone, C. M.; Woosley, S. E.; Dong, S.; Nonaka, A.; Almgren, A. S.; Bell, J. B.; Zingale, M.

    2014-02-10

    We present high-resolution, full-star simulations of the post-ignition phase of Type Ia supernovae using the compressible hydrodynamics code Castro. Initial conditions, including the turbulent velocity field and ignition site, are imported directly from a simulation of the last few hours of presupernova convection using a low Mach number code, Maestro. Adaptive mesh refinement allows the initial burning front to be modeled with an effective resolution of 36,864{sup 3} zones (136 m zone{sup –1}). The initial rise and expansion of the deflagration front are tracked until burning reaches the star's edge and the role of the background turbulence on the flame is investigated. The effect of artificially moving the ignition location closer to the star's center is explored. The degree to which turbulence affects the burning front decreases with increasing ignition radius since the buoyancy force is stronger at larger radii. Even central ignition—in the presence of a background convective flow field—is rapidly carried off-center as the flame is carried by the flow field. We compare our results to analytic models for burning thermals, and find that they reproduce the general trends of the bubble's size and mass, but underpredict the amount of buoyant acceleration due to simplifying assumptions of the bubble's properties. Overall, we find that the amount of mass that burns prior to flame break out is small, consistent with a gravitationally confined detonation' occurring at a later epoch, but additional burning will occur following breakout that may modify this conclusion.

  6. Modeling deflagration-to-detonation transition in granular explosive pentaerythritol tetranitrate

    NASA Astrophysics Data System (ADS)

    Sáenz, Juan A.; Stewart, D. Scott

    2008-08-01

    Based on an approach suggested by Stewart et al. [Phys. Fluids 6, 2515 (1994)] we develop a model to simulate deflagration-to-detonation transition (DDT) in pentaerythritol tetranitrate (PETN) powders. The model uses a continuum mechanics formulation of conservation laws for a mixture of solid reactants and gas products, written in terms of mixture quantities plus two independent variables used to account for exothermic conversion of solid reactants into gas products, and compaction associated with pore collapse and grain rearrangement. We propose a simple empirical dependence of the reaction rate on the initial bed compaction that allows us to calibrate the model for a wide range of initial conditions. For the solid reactants we use a wide-ranging equation of state (EOS) developed by Davis and co-workers in a series of papers [Proceedings of the Tenth International Symposium on Detonation, 1993, pp. 369-376; Explosive Effects and Applications (Springer, New York, 1998), Chap. 1, Combust. Flame 120, 399 (2000); Proceedings of the 12th International Symposium Detonation, San Diego, CA, 2002, pp. 624-631; . ONR 333-05-2; Proceedings of the Eighth Detonation Symposium, 1985, pp. 785-795; Proceedings of the 11th International Symposium on Detonation, 1998, pp. 303-308]. The EOS for powder uses the P-α model of Herrmann [J. Appl. Phys. 40, 2490 (1969)] and Carrol and Holt [J. Appl. Phys. 43, 759 (1972)]. To close the system, we suggest phenomenological closure relations, consistent with the limit of a compressible inert material and of a solid fully reactive material, such that the EOS can be posed only in terms of mixture quantities and the reaction and compaction variables. We demonstrate the model's ability to capture DDT in PETN powders by matching transients typically observed in experiments through simulation. We show that for flows calculated using nonideal EOSs and complex reaction kinetics such as those formulated in our model, it is possible to define a

  7. Deflagration plasma thruster

    NASA Technical Reports Server (NTRS)

    Cheng, D. Y.; Chang, C. N.

    1984-01-01

    This paper introduces the application of the magnetized plasma deflagration process to space propulsion. The deflagration process has the unique capability of efficiently converting input energy into kinetic energy in the accelerating direction. To illustrate the totally divergent characters of 'snowplow' detonation and deflagration discharges, examples of the differences between deflagration and detonation 'snowplow' discharges are expressed in terms of current densities, temperature, and particle velocities. Magnetic field profiles of the deflagration mode of discharges are measured. Typical attainable plasma characteristics are described in terms of velocity, electron temperature, and density, as well as measurement techniques. Specific impulses measured by piezo-electric probe and pendulum methods are presented. The influence of the transmission line in the discharge circuits on plasma velocity is measured by means of a microwave time-of-flight method. The results for the deflagration thruster are compared with other space thrusters. Further research areas are identified.

  8. Fast Deflagration Waves.

    DTIC Science & Technology

    1980-07-01

    Fendell (1970) to finite Mach numbers, and uncovered the existence of very slow deflagration waves. JI.. -2- 2. The governing equations The governing...FlapmSI,$ Cambridge University Press. 2. Buckmaster, J. 1976. The quenching of deflagration vaves. Combust. Flme. 26, 151-162. 3. Bush, W.B. & Fendell , F.E

  9. Waste tank deflagration source generation mechanisms

    SciTech Connect

    Paddleford, D.F.; Thomas, J.K.

    1995-07-01

    This paper describes the models employed and analyses performed to estimate the source terms which would result from deflagrations in waste storage and processing tanks at the Savannah River Site (SRS). It should be noted that SRS waste tank deflagrations are very low probability events. The three main source generation mechanisms associated with waste tank deflagrations are: (1) entrainment from the liquid surface, (2) vaporization from the liquid surface, and (3) solids fire ignited as a result of the deflagration. The results of this work show that entrainment would be the dominant source term generation mode for cases where the liquid waste solution level is near the vent path. Vaporization would be the dominant mode for cases where the liquid level is lower. The maximum vaporization source term is approximately an order of magnitude less than that maximum entrainment source term. The source term associated with a solids fire would be insignificant in comparison.

  10. Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

    NASA Astrophysics Data System (ADS)

    Joshi, Kaushik; Chaudhuri, Santanu

    2017-01-01

    Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

  11. Thermonuclear supernovae: simulations of the deflagration stage and their implications.

    PubMed

    Gamezo, Vadim N; Khokhlov, Alexei M; Oran, Elaine S; Chtchelkanova, Almadena Y; Rosenberg, Robert O

    2003-01-03

    Large-scale, three-dimensional numerical simulations of the deflagration stage of a thermonuclear supernova explosion show the formation and evolution of a highly convoluted turbulent flame in the gravitational field of an expanding carbon-oxygen white dwarf. The flame dynamics are dominated by the gravity-induced Rayleigh-Taylor instability that controls the burning rate. The thermonuclear deflagration releases enough energy to produce a healthy explosion. The turbulent flame, however, leaves large amounts of unburned and partially burned material near the star center, whereas observations that imply these materials are present only in outer layers. This disagreement could be resolved if the deflagration triggers a detonation.

  12. Quantum magnetic deflagration in acetate.

    PubMed

    Hernández-Mínguez, A; Hernandez, J M; Macià, F; García-Santiago, A; Tejada, J; Santos, P V

    2005-11-18

    We report controlled ignition of magnetization reversal avalanches by surface acoustic waves in a single crystal of acetate. Our data show that the speed of the avalanche exhibits maxima on the magnetic field at the tunneling resonances of Mn(12). Combined with the evidence of magnetic deflagration in Mn(12) acetate, this suggests a novel physical phenomenon: deflagration assisted by quantum tunneling.

  13. Experiments and modeling of dynamic powder compaction in the scope of deflagration to detonation transition studies

    NASA Astrophysics Data System (ADS)

    Bodard, S.; Lapébie, E.; Saurel, R.

    2017-01-01

    This paper deals with dynamic compaction of confined powders and associated wave dynamics. An experimental setup has been designed to generate one-dimensional dynamic compaction waves. Quantitative data such as displacement and velocity fields are obtained. A multiphase compaction model is considered as well and its results are compared to experimental data. Grain/wall friction is also modeled as it appeared to have significant effects when considering confined granular beds.

  14. Experiments and modelling of dynamic powder compaction in the scope of deflagration to detonation transition studies

    NASA Astrophysics Data System (ADS)

    Bodard, Sebastien; Lapebie, Emmanuel; Saurel, Richard; Daniel, Eric; Tosello, Robert; Lafontaine, Eric

    2015-06-01

    Understanding DDT in granular media is of prime interest for ammunition safety. However, the mechanisms involved are multiphasic, granular and multi-scale. To progress in DDT understanding it is thus necessary to focus on some mechanisms. As compaction plays a prominent role in DDT it is important to accurately model this phenomenon. In this communication, dynamic compaction of inert powder is studied to focus on the mechanical effects taking place in early stages of DDT. Both experimental and modelling aspects are considered. A novel experimental setup is designed to generate a dynamic 1D compaction. It consists in a container filled with powder and closed by a piston. A projectile launched with a gas gun impacts the piston rod to compress the powder. High-speed cameras with grain-scale resolution record the test. The velocity field is determined with image correlation. A multiphase compaction model (Saurel et al., 2010) has been implemented. Granular effects are taken into account with a granular equation of state, determined by quasi-static compaction. With additional features such as wall friction, good agreement between experiments and computations is found. The experimental apparatus is then used to study reactive powders. This work is supported by DGA.

  15. Deflagration transient study of the CIF incinerator

    SciTech Connect

    Hang, T.

    2000-01-03

    The Consolidated Incineration Facility (CIF) treats solid and liquid RCRA hazardous and mixed wastes generated at the Savannah River Site (SRS). The transient responses of the CIF system to a deflagration, caused by an accidental charge of a modest quantity of solvent (e.g. toluene) into the rotary kiln, were a major safety concern. Using a dynamic computer model, a study was conducted to analyze the transient system responses to the rapid temperature and pressure surge in the kiln. The objective of the study was to determined the maximum pressure, temperature, and gas flow rate in each CIF component (rotary kiln, secondary combustion chamber, quencher, scrubber/cyclone, mist eliminator, reheaters, HEPAs, and ID fans). The resulting data provided a basis for the subsequent structural analysis. This paper will describe the CIF deflagration study in some detail, and present the results of the simulation scenarios.

  16. PBXN-9 Ignition Kinetics and Deflagration Rates

    SciTech Connect

    Glascoe, E; Maienschein, J; Burnham, A; Koerner, J; Hsu, P; Wemhoff, A

    2008-04-24

    The ignition kinetics and deflagration rates of PBXN-9 were measured using specially designed instruments at LLNL and compared with previous work on similar HMX based materials. Ignition kinetics were measured based on the One Dimensional Time-to-Explosion combined with ALE3D modeling. Results of these experiments indicate that PBXN-9 behaves much like other HMX based materials (i.e. LX-04, LX-07, LX-10 and PBX-9501) and the dominant factor in these experiments is the type of explosive, not the type of binder/plasticizer. In contrast, the deflagration behavior of PBXN-9 is quite different from similar high weight percent HMX based materials (i.e LX-10, LX-07 and PBX-9501). PBXN-9 burns in a laminar manner over the full pressure range studied (0-310 MPa) unlike LX-10, LX-07, and PBX-9501. The difference in deflagration behavior is attributed to the nature of the binder/plasticizer alone or in conjunction with the volume of binder present in PBXN-9.

  17. Deflagration analysis of the ITP facility utilizing the MELCOR/SR code

    SciTech Connect

    Allison, D.K.; Chow, S.

    1993-07-01

    Under certain accident conditions, waste tanks in the In-Tank Processing (ITP) facility may contain significant concentrations of benzene and hydrogen. Because these gases are flammable, a safety analysis was required to demonstrate that the risk posed by the possible combustion of these gases is acceptable. In support of this analysis, the MELCOR/SR computer code was modified to simulate the combustion of benzene-hydrogen mixtures. MELCOR/SR was developed originally to analyze severe accidents that may occur in the SRS production reactors but many of its modules can be used also for non-reactor applications such as combustion and aerosol and radionuclide transport. The MELCOR/SR combustion model (package) was originally configured for the deflagration analysis of hydrogen-carbon monoxide mixtures. With minor changes to the coding in the combustion package subroutines, and the addition of benzene thermodynamic and transport properties to the input decks, MELCOR/SR was modified to analyze deflagrations in benzene-hydrogen gas mixtures. A MELCOR/SR model was created consisting of two control volumes connected by flow paths. One volume represents a type III waste tank; the other, the environment. The flow paths represent vents that open during the deflagration. Choked flow and radiative heat transfer from the hot gas to the cooling coils and tank walls are phenomonalogical aspects accounted for in the model. Results from MELCOR/SR compared favorably with results from two other codes: COMPACT, a code similar to MELCOR/SR used in the preliminary ITP analysis and DPAC, a code developed specifically to analyze deflagrations in SRS waste tanks. Peak pressures predicted by MELCOR/SR (and by DPAC) for realistic waste tank conditions do not exceed the pressure required to fail the primary line of the tank. ({approximately}23 psig)

  18. A Skeletal, Gas Phase, Finite Rate, Chemical Kinetics Mechanism for Modeling the Deflagration of Ammonium Perchlorate - Hydroxyl-Terminated Polybutadiene Composite Propellants

    DTIC Science & Technology

    2016-04-01

    different pyrolysis laws for pure AP ...................................................................20 Fig. 5 Comparison of the pressure -dependent......chosen because published pyrolysis laws indicated that the surface temperature of deflagrating AP would be in this range and rise with pressure

  19. Role of deflagration in explosive response

    SciTech Connect

    Lee, E.L.; Weston, A.M.

    1988-06-20

    Measurements on materials of varying burn rates, particularly at high pressure, show a strong correlation with the violence of the response of thes materials to a range of hazard stimuli. We have analyzed the response using somewhat idealized model for deflagrating materials. The results can be compared with various tests for hazard reponse. We have studied confinement effects and chosen a particular confinement to quantify the explosive response. The effects of porosity, ignition behavior, and laminar burn rate are clearly revealed by the results of the model. Possibilities for formulating less vulnerable materials are discussed. 9 refs., 9 figs.

  20. Time-resolved Measurements of Spontaneous Magnetic Deflagration of Mn12 tBuAc

    NASA Astrophysics Data System (ADS)

    Chen, Yizhang; Kent, A. D.; Zhang, Qing; Sarachik, M. P.; Baker, M. L.; Garanin, D. A.; Mhesn, Najah; Lampropoulos, Christos

    Magnetic deflagration in molecular magnets has been triggered by heat pulses and acoustic waves. In this work we report spontaneous magnetic deflagration (i.e. deflagration that occurs without an external trigger) in the axially symmetric single molecule magnet Mn12 tBuAc . Magnetic hysteresis measurements show steps due to resonant quantum tunneling (RQT) below 1K, confirming the spin-Hamiltonian parameters for this material and previous results. Deflagration speeds measured with a newly constructed higher bandwidth (2MHz) setup will be presented as a function of transverse and longitudinal fields Hx ⊗Hz both on and off resonance. A large increase in front velocity near RQT steps is observed in experiments with swept transverse fields and will be discussed in light of models of deflagration. Work supported by NSF-DMR-1309202 (NYU); ARO W911NF-13-1-0125 (CCNY); DMR-1161571(Lehman); Cottrell College Science Award (UNF).

  1. EDC-37 Deflagration Rates at Elevated Pressures

    SciTech Connect

    Maienschein, J L; Koerner, J G

    2008-01-31

    We report deflagration rates on EDC-37 at high pressures. Experiments are conducted using the Lawrence Livermore National Laboratory High Pressure Strand Burner (HPSB) apparatus. The HPSB contains a deflagrating sample in a small volume, high pressure chamber. The sample consists of nine, 6.35 mm diameter, 6.35 mm length cylinders stacked on end, with burn wires placed between cylinders. Sample deflagration is limited to the cross-sectional surface of the cylinder by coating the cylindrical surface of the tower with Halthane 88-2 epoxy. Sample deflagration is initiated on one end of the tower by a B/KNO{sub 3} and HNS igniter train. Simultaneous temporal pressure history and burn front time of arrival measurements yield the laminar deflagration rate for a range of pressures and provide insight into deflagration uniformity. These measurements are one indicator of overall thermal explosion violence. Specific details of the experiment and the apparatus can be found in the literature.

  2. Small-scale deflagration cylinder test with velocimetry wall-motion diagnostics

    SciTech Connect

    Hooks, Daniel E; Hill, Larry G; Pierce, Timothy H

    2010-01-01

    Predicting the likelihood and effects of outcomes resultant from thermal initiation of explosives remains a significant challenge. For certain explosive formulations, the general outcome can be broadly predicted given knowledge of certain conditions. However, there remain unexplained violent events, and increased statistical understanding of outcomes as a function of many variables, or 'violence categorization,' is needed. Additionally, the development of an equation of state equivalent for deflagration would be very useful in predicting possible detailed event consequences using traditional hydrodynamic detonation moders. For violence categorization, it is desirable that testing be efficient, such that it is possible to statistically define outcomes reliant on the processes of initiation of deflagration, steady state deflagration, and deflagration to detonation transitions. If the test simultaneously acquires information to inform models of violent deflagration events, overall predictive capabilities for event likelihood and consequence might improve remarkably. In this paper we describe an economical scaled deflagration cylinder test. The cyclotetramethylene tetranitramine (HMX) based explosive formu1lation PBX 9501 was tested using different temperature profiles in a thick-walled copper cylindrical confiner. This test is a scaled version of a recently demonstrated deflagration cylinder test, and is similar to several other thermal explosion tests. The primary difference is the passive velocimetry diagnostic, which enables measurement of confinement vessel wall velocities at failure, regardless of the timing and location of ignition.

  3. The type Iax supernova, SN 2015H. A white dwarf deflagration candidate

    NASA Astrophysics Data System (ADS)

    Magee, M. R.; Kotak, R.; Sim, S. A.; Kromer, M.; Rabinowitz, D.; Smartt, S. J.; Baltay, C.; Campbell, H. C.; Chen, T.-W.; Fink, M.; Gal-Yam, A.; Galbany, L.; Hillebrandt, W.; Inserra, C.; Kankare, E.; Le Guillou, L.; Lyman, J. D.; Maguire, K.; Pakmor, R.; Röpke, F. K.; Ruiter, A. J.; Seitenzahl, I. R.; Sullivan, M.; Valenti, S.; Young, D. R.

    2016-05-01

    We present results based on observations of SN 2015H which belongs to the small group of objects similar to SN 2002cx, otherwise known as type Iax supernovae. The availability of deep pre-explosion imaging allowed us to place tight constraints on the explosion epoch. Our observational campaign began approximately one day post-explosion, and extended over a period of about 150 days post maximum light, making it one of the best observed objects of this class to date. We find a peak magnitude of Mr = -17.27± 0.07, and a (Δm15)r = 0.69 ± 0.04. Comparing our observations to synthetic spectra generated from simulations of deflagrations of Chandrasekhar mass carbon-oxygen white dwarfs, we find reasonable agreement with models of weak deflagrations that result in the ejection of ~0.2 M⊙ of material containing ~0.07 M⊙ of 56Ni. The model light curve however, evolves more rapidly than observations, suggesting that a higher ejecta mass is to be favoured. Nevertheless, empirical modelling of the pseudo-bolometric light curve suggests that ≲0.6 M⊙ of material was ejected, implying that the white dwarf is not completely disrupted, and that a bound remnant is a likely outcome.

  4. Diagnostic techniques in deflagration and detonation studies.

    PubMed

    Proud, William G; Williamson, David M; Field, John E; Walley, Stephen M

    2015-12-01

    Advances in experimental, high-speed techniques can be used to explore the processes occurring within energetic materials. This review describes techniques used to study a wide range of processes: hot-spot formation, ignition thresholds, deflagration, sensitivity and finally the detonation process. As this is a wide field the focus will be on small-scale experiments and quantitative studies. It is important that such studies are linked to predictive models, which inform the experimental design process. The stimuli range includes, thermal ignition, drop-weight, Hopkinson Bar and Plate Impact studies. Studies made with inert simulants are also included as these are important in differentiating between reactive response and purely mechanical behaviour.

  5. Pyrotechnic deflagration velocity and permeability

    SciTech Connect

    Begeal, D R; Stanton, P L

    1982-01-01

    Particle size, porosity, and permeability of the reactive material have long been considered to be important factors in propellant burning rates and the deflagration-to-detonation transition in explosives. It is reasonable to assume that these same parameters will also affect the deflagration velocity of pyrotechnics. This report describes an experimental program that addresses the permeability of porous solids (particulate beds), in terms of particle size and porosity, and the relationship between permeability and the behavior of pyrotechnics and explosives. The experimental techniques used to acquire permeability data and to characterize the pyrotechnic burning are discussed. Preliminary data have been obtained on the burning characteristics of titanium hydride/potassium perchlorate (THKP) and boron/calcium chromate (BCCR). With THKP, the velocity of a pressure wave (from hot product gases) in the unburned region shows unsteady behavior which is related to the initial porosity or permeability. Simultaneous measurements with pressure gauges and ion gauges reveal that the pressure wave precedes the burn front. Steady burning of BCCR was observed with pressure gauge diagnostics and with a microwave interferometry technique.

  6. A geometric singular perturbation analysis of detonation and deflagration waves

    NASA Astrophysics Data System (ADS)

    Gasser, I.; Szmolyan, P.

    1993-07-01

    The existence of steady plane wave solutions of the Navier-Stokes equations for a reacting gas is analyzed. Under the assumption of an ignition temperature the existence of detonation and deflagration waves close to the corresponding waves of the ZND-model is proved in the limit of small viscosity, heat conductivity, and diffusion. The method is constructive, since the classical solutions of the ZND-model serve as singular solutions in the context of geometric singular perturbation theory. The singular solutions consist of orbits on which the dynamics are slow-driven by chemical reaction and of orbits on which the dynamics are fast-driven by gasdynamic shocks. The approach is geometric and leads to a clear, complete picture of the existence, structure, and asymptotic behavior of detonation and deflagration waves.

  7. Asymmetric Type Ia Supernovae from Detonating Failed Deflagrations

    NASA Astrophysics Data System (ADS)

    Plewa, T.; Kasen, D.; Brown, E. F.

    2005-05-01

    Despite four decades of vigorous research and substantial progress made in studying thermonuclear supernovae, the origins and nature of these objects remain a mystery. From a modeler's point of view, Type Ia supernovae are one of the most demanding and complex supercomputer applications. The final stages of their lives involve the slow evolution under conditions close to a hydrostatic equilibrium followed by a strongly dynamical phase with the possible transition from a subsonic to supersonic mode of thermonuclear combustion. The explosion dynamics involve instabilities on scales from centimeters to hundreds of kilometers, and are accompanied by thermonuclear reactions releasing sufficient energy to unbind the white dwarf. Numerical models of thermonuclear supernovae must also include realistic initial conditions, an element that may prove crucial in our quest to explain the nature of those fascinating objects. We are presently studying the incineration of a massive white dwarf following the mild ignition of a thermonuclear flame close to the stellar center. In this scenario, the initial off-center deflagration only consumes a small amount of the stellar fuel and fails to unbind the star. This deflagration does, however, expand the stellar material and accelerates the outer layers of the white dwarf. These flows interact and then trigger a detonation. The overall evolution resembles that of the previously discussed gravitationally confined detonation model and shares many of its properties. The present numerical model features a revised energy delivery scheme resulting in a weaker deflagration, longer evolutionary timescales, and stronger preexpansion of the stellar material.

  8. Deflagration, fronts of tunneling, and dipolar ordering in molecular magnets

    NASA Astrophysics Data System (ADS)

    Garanin, Dmitry

    2011-03-01

    Although there is no exchange interaction in crystals of molecular magnets characterized by a giant effective spin S (S = 10 for Mn 12 , and Fe 8) , magnetic field B (D) generated by magnetic moments g μ B S of magnetic molecules creates energy bias W (D) = 2 Sg μ BB (D) on a molecule that largely exceeds the tunnelling splitting Δ of matching quantum states on different sides of the anisotropy barrier. Thus the dipolar field has a profound influence on the processes of tunnelling and relaxation in molecular magnets. Both theoretical and experimental works showed a slow non-exponential relaxation of the magnetization in both initially ordered and completely disordered states since most of the spins are off tunneling resonance at any time. Recently a new mode of relaxation via tunneling has been found, the so-called fronts of tunneling, in which (within a 1 d theoretical model) dipolar field adjusts so that spins are on resonance within the broad front core. In this ``laminar'' regime fronts of tunnelling are moving fast at speeds that can exceed that of the temperature-driven magnetic deflagration, if a sufficiently strong transverse field is applied. However, a ``non-laminar'' regime has also been found in which instability causes spins to go off resonance and the front speed drops. In a combination with magnetic deflagration, the laminar regime becomes more stable and exists in the whole dipolar window 0 <= W <=W (D) on the external bias W , where the deflagration speed strongly increases. Another dipolar effect in molecular magnets is dipolar ordering below 1 K that has recently been shown to be non-uniform because of formation of magnetic domains. An object of current research is possible non-uniformity of magnetic deflagration and tunneling fronts via domain instability that could influence their speed.

  9. LX-17 Deflagration at High Pressures and Temperatures

    SciTech Connect

    Koerner, J; Maienschein, J; Black, K; DeHaven, M; Wardell, J

    2006-10-23

    We measure the laminar deflagration rate of LX-17 (92.5 wt% TATB, 7.5 wt% Kel-F 800) at high pressure and temperature in a strand burner, thereby obtaining reaction rate data for prediction of thermal explosion violence. Simultaneous measurements of flame front time-of-arrival and temporal pressure history allow for the direct calculation of deflagration rate as a function of pressure. Additionally, deflagrating surface areas are calculated in order to provide quantitative insight into the dynamic surface structure during deflagration and its relationship to explosion violence. Deflagration rate data show that LX-17 burns in a smooth fashion at ambient temperature and is represented by the burn rate equation B = 0.2P{sup 0.9}. At 225 C, deflagration is more rapid and erratic. Dynamic deflagrating surface area calculations show that ambient temperature LX-17 deflagrating surface areas remain near unity over the pressure range studied.

  10. 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.

  11. Deflagration to detonation transition in combustible gas mixtures

    SciTech Connect

    Smirnov, N.N.; Panfilov, I.I.

    1995-04-01

    This paper presents the results of a computational investigation of the process of deflagration to detonation transition in a combustible gas mixture. The type of combustion (i.e., deflagration or detonation) supported by a two-step reaction scheme is studied as a function of the activation energies. It is shown that both a deflagration to detonation transition and a deflagration wave that lags behind a leading shock are possible. Two types of deflagration to detonation transitions are found theoretically: initiation of detonation from the flame zone and initiation of detonation along a contact discontinuity in the compressed gas near the primary shock wave.

  12. Strategies for understanding the deflagration-to-detonation transition

    SciTech Connect

    Asay, B.W.

    1992-05-01

    The deflagration-to-detonation (DDT) phenomenon has been studied for many years. However, no comprehensive model of the DDT process is available. It is important to understand the mechanism by which an explosive will detonate when the source of ignition is a weak shock or flame, and to able to predict this response. We have identified several key areas of the DDT problem which need to be understood before any such prediction can be made, and have established a modest program to obtain a more fundamental understanding of the behavior of explosive under the conditions that can lead to DDT.

  13. Strategies for understanding the deflagration-to-detonation transition

    SciTech Connect

    Asay, B.W.

    1992-01-01

    The deflagration-to-detonation (DDT) phenomenon has been studied for many years. However, no comprehensive model of the DDT process is available. It is important to understand the mechanism by which an explosive will detonate when the source of ignition is a weak shock or flame, and to able to predict this response. We have identified several key areas of the DDT problem which need to be understood before any such prediction can be made, and have established a modest program to obtain a more fundamental understanding of the behavior of explosive under the conditions that can lead to DDT.

  14. 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.

  15. Structure and Stability of Deflagrations in Porous Energetic Materials

    SciTech Connect

    stephen B. Margolis; Forman A. Williams

    1999-03-01

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

  16. Modeling Carbon Exchange

    NASA Technical Reports Server (NTRS)

    Sellers, Piers

    2012-01-01

    Model results will be reviewed to assess different methods for bounding the terrestrial role in the global carbon cycle. It is proposed that a series of climate model runs could be scoped that would tighten the limits on the "missing sink" of terrestrial carbon and could also direct future satellite image analyses to search for its geographical location and understand its seasonal dynamics.

  17. Performance Impact of Deflagration to Detonation Transition Enhancing Obstacles

    NASA Technical Reports Server (NTRS)

    Paxson, Daniel E.; Schauer, Frederick; Hopper, David

    2012-01-01

    A sub-model is developed to account for the drag and heat transfer enhancement resulting from deflagration-to-detonation (DDT) inducing obstacles commonly used in pulse detonation engines (PDE). The sub-model is incorporated as a source term in a time-accurate, quasi-onedimensional, CFD-based PDE simulation. The simulation and sub-model are then validated through comparison with a particular experiment in which limited DDT obstacle parameters were varied. The simulation is then used to examine the relative contributions from drag and heat transfer to the reduced thrust which is observed. It is found that heat transfer is far more significant than aerodynamic drag in this particular experiment.

  18. The contribution of Wigner energy to graphite deflagration

    NASA Astrophysics Data System (ADS)

    Minshall, Peter C.

    2017-08-01

    It is important to be able to estimate changes in flame velocity and ignition energy in graphite deflagration, which both arise from Wigner energy. By treating the deflagration of irradiated graphite dust as an adiabatic plane wave, it is shown that the presence of large amounts of Wigner or stored energy has little affect on either the flame velocity and the ignition energy.

  19. Deflagration studies on waste Tank 101-SY: Test plan

    SciTech Connect

    Cashdollar, K.L.; Zlochower, I.A.; Hertzberg, M.

    1991-07-01

    Waste slurries produced during the recovery of plutonium and uranium from irradiated fuel are stored in underground storage tanks. While a variety of waste types have been generated, of particular concern are the wastes stored in Tank 101-SY. A slurry growth-gas evolution cycle has been observed since 1981. The waste consists of a thick slurry, consisting of a solution high in NaOH, NaNO{sub 3}, NaAlO{sub 2}, dissolved organic complexants (EDTA, HEDTA, NTA, and degradation products), other salts (sulfates and phosphates), and radionuclides (primarily cesium and strontium). During a gas release the major gaseous species identified include: hydrogen and nitrous oxide (N{sub 2}O). Significant amounts of nitrogen may also be present. Traces of ammonia, carbon oxides, and other nitrogen oxides are also detected. Air and water vapor are also present in the tank vapor space. The purpose of the deflagration study is to determine risks of the hydrogen, nitrous oxide, nitrogen, and oxygen system. To be determined are pressure and temperature as a function of composition of reacting gases and the concentration of gases before and after the combustion event. Analyses of gases after the combustion event will be restricted to those tests that had an initial concentration of {le}8% hydrogen. This information will be used to evaluate safety issues related to periodic slurry growth and flammable gas releases from Tank 101-SY. the conditions to be evaluated will simulate gases in the vapor space above the salt cake as well as gases that potentially are trapped in pockets within/under the waste. The deflagration study will relate experimental laboratory results to conditions in the existing tanks.

  20. Deflagration Behavior of PBX 9501 at Elevated Temperature and Pressure

    SciTech Connect

    Maienschein, J L; Koerner, J G

    2008-04-15

    We report the deflagration behavior of PBX 9501 at pressures up to 300 MPa and temperatures of 150-180 C where the sample has been held at the test temperature for several hours before ignition. The purpose is to determine the effect on the deflagration behavior of material damage caused by prolonged exposure to high temperature. This conditioning is similar to that experienced by an explosive while it being heated to eventual explosion. The results are made more complicated by the presence of a significant thermal gradient along the sample during the temperature ramp and soak. Three major conclusions are: the presence of nitroplasticizer makes PBX 9501 more thermally sensitive than LX-04 with an inert Viton binder; the deflagration behavior of PBX 9501 is more extreme and more inconsistent than that of LX-04; and something in PBX 9501 causes thermal damage to 'heal' as the deflagration proceeds, resulting in a decelerating deflagration front as it travels along the sample.

  1. Do electron-capture supernovae make neutron stars?. First multidimensional hydrodynamic simulations of the oxygen deflagration

    NASA Astrophysics Data System (ADS)

    Jones, S.; Röpke, F. K.; Pakmor, R.; Seitenzahl, I. R.; Ohlmann, S. T.; Edelmann, P. V. F.

    2016-09-01

    Context. In the classical picture, electron-capture supernovae and the accretion-induced collapse of oxygen-neon white dwarfs undergo an oxygen deflagration phase before gravitational collapse produces a neutron star. These types of core collapse events are postulated to explain several astronomical phenomena. In this work, the oxygen deflagration phase is simulated for the first time using multidimensional hydrodynamics. Aims: By simulating the oxygen deflagration with multidimensional hydrodynamics and a level-set-based flame approach, new insights can be gained into the explosive deaths of 8-10 M⊙ stars and oxygen-neon white dwarfs that accrete material from a binary companion star. The main aim is to determine whether these events are thermonuclear or core-collapse supernova explosions, and hence whether neutron stars are formed by such phenomena. Methods: The oxygen deflagration is simulated in oxygen-neon cores with three different central ignition densities. The intermediate density case is perhaps the most realistic, being based on recent nuclear physics calculations and 1D stellar models. The 3D hydrodynamic simulations presented in this work begin from a centrally confined flame structure using a level-set-based flame approach and are performed in 2563 and 5123 numerical resolutions. Results: In the simulations with intermediate and low ignition density, the cores do not appear to collapse into neutron stars. Instead, almost a solar mass of material becomes unbound from the cores, leaving bound remnants. These simulations represent the case in which semiconvective mixing during the electron-capture phase preceding the deflagration is inefficient. The masses of the bound remnants double when Coulomb corrections are included in the equation of state, however they still do not exceed the effective Chandrasekhar mass and, hence, would not collapse into neutron stars. The simulations with the highest ignition density (log 10ρc = 10.3), representing the case

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

    SciTech Connect

    Stewart, D.S.

    1999-07-01

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

  3. 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

  4. Self-similar blast waves incorporating deflagrations of variable speed

    NASA Technical Reports Server (NTRS)

    Guirguis, R. H.; Kamel, M. M.; Oppenheim, A. K.

    1983-01-01

    The present investigation is concerned with the development of a systematic approach to the problem of self-similar blast waves incorporating nonsteady flames. The regime covered by the presented solutions is bounded on one side by an adiabatic strong explosion and, on the other, by deflagration propagating at an infinite acceleration. Results for a representative set of accelerations are displayed, taking into account the full range of propagation speeds from zero to velocities corresponding to the Chapman-Jouguet deflagration. It is found that the distribution of stored energy in the undisturbed medium determines the acceleration of the deflagration-shock wave system. The obtained results reveal the existence of a simple relation between the location of the deflagration and its Mach number.

  5. Self-similar blast waves incorporating deflagrations of variable speed

    NASA Technical Reports Server (NTRS)

    Guirguis, R. H.; Kamel, M. M.; Oppenheim, A. K.

    1983-01-01

    The present investigation is concerned with the development of a systematic approach to the problem of self-similar blast waves incorporating nonsteady flames. The regime covered by the presented solutions is bounded on one side by an adiabatic strong explosion and, on the other, by deflagration propagating at an infinite acceleration. Results for a representative set of accelerations are displayed, taking into account the full range of propagation speeds from zero to velocities corresponding to the Chapman-Jouguet deflagration. It is found that the distribution of stored energy in the undisturbed medium determines the acceleration of the deflagration-shock wave system. The obtained results reveal the existence of a simple relation between the location of the deflagration and its Mach number.

  6. Characterization of deflagrating munitions by rotating prism high speed photography

    NASA Astrophysics Data System (ADS)

    Kinsey, Trevor J.; Bussell, Tim J.; Chick, Michael C.

    1992-08-01

    We report on the use of a rotating prism high speed camera for determining the characteristics of a munition undergoing rapid deflagration in field experiments. The technique has been applied to study the controlled deflagration of Composition B filled 105 mm shell and 81 mm mortar bombs as representative thick and thin cased munitions respectively; however the report is mostly illustrated with results from the study on 105 mm shell. The deflagration event has been characterized in terms of case expansion rate, initial fragment velocity, time to case burst, time to reaction from the nose end and the deflagration rate of the filling. Products escaping from the fracturing case eventually obscured the image which limited the extent of the measurement.

  7. Deflagration to Shock to Detonation Transition of Energetic Propellants.

    DTIC Science & Technology

    1984-07-01

    controlled deflagration mode of combustion . In certain instances (i.e. when the propellant/explosive is fragmented) the likelihood of a cata- strophic...detonation from the controlled deflagration mode of combustion .-In certain . instances (i.e. when the propellant/explosive is fragmented) the...burning these high-energy propellants, which is not present during the combustion of "standard" composite and composite-double base propellants. By

  8. Radial magnetic compression in the expelled jet of a plasma deflagration accelerator

    NASA Astrophysics Data System (ADS)

    Loebner, Keith T. K.; Underwood, Thomas C.; Mouratidis, Theodore; Cappelli, Mark. A.

    2016-02-01

    A spectroscopic study of a pulsed plasma deflagration accelerator is carried out that confirms the existence of a strong compression in the emerging jet at the exit plane of the device. An imaging spectrometer is used to collect broadened Hα emission from a transaxial slice of the emerging jet at high spatial resolution, and the radial plasma density profile is computed from Voigt fits of the Abel inverted emissivity profiles. The plasma temperature, determined via Doppler broadening of impurity line emission, is compared against the temperature predictions of a radial magnetohydrodynamic equilibrium model applied to the measured density profiles. Empirical scaling laws developed for the plasma density, combined with the measured and predicted temperatures, indicate that a radially equilibrated Z-pinch is formed within the expelled plasma jet at the exit plane during the deflagration process.

  9. Flame acceleration in channels with obstacles in the deflagration-to-detonation transition

    SciTech Connect

    Valiev, Damir; Bychkov, Vitaly; Akkerman, V'yacheslav; Law, Chung K.; Eriksson, Lars-Erik

    2010-05-15

    It was demonstrated recently in Bychkov et al. [Bychkov et al., Phys. Rev. Lett. 101 (2008) 164501], that the physical mechanism of flame acceleration in channels with obstacles is qualitatively different from the classical Shelkin mechanism. The new mechanism is much stronger, and is independent of the Reynolds number. The present study provides details of the theory and numerical modeling of the flame acceleration. It is shown theoretically and computationally that flame acceleration progresses noticeably faster in the axisymmetric cylindrical geometry as compared to the planar one, and that the acceleration rate reduces with increasing Mach number and thereby the gas compressibility. Furthermore, the velocity of the accelerating flame saturates to a constant value that is supersonic with respect to the wall. The saturation state can be correlated to the Chapman-Jouguet deflagration as well as the fast flames observed in experiments. The possibility of transition from deflagration-to-detonation in the obstructed channels is demonstrated. (author)

  10. Radial magnetic compression in the expelled jet of a plasma deflagration accelerator

    SciTech Connect

    Loebner, Keith T. K. Underwood, Thomas C.; Mouratidis, Theodore; Cappelli, Mark A.

    2016-02-29

    A spectroscopic study of a pulsed plasma deflagration accelerator is carried out that confirms the existence of a strong compression in the emerging jet at the exit plane of the device. An imaging spectrometer is used to collect broadened Hα emission from a transaxial slice of the emerging jet at high spatial resolution, and the radial plasma density profile is computed from Voigt fits of the Abel inverted emissivity profiles. The plasma temperature, determined via Doppler broadening of impurity line emission, is compared against the temperature predictions of a radial magnetohydrodynamic equilibrium model applied to the measured density profiles. Empirical scaling laws developed for the plasma density, combined with the measured and predicted temperatures, indicate that a radially equilibrated Z-pinch is formed within the expelled plasma jet at the exit plane during the deflagration process.

  11. Magneto-hydrodynamics simulation study of deflagration mode in co-axial plasma accelerators

    NASA Astrophysics Data System (ADS)

    Sitaraman, Hariswaran; Raja, Laxminarayan L.

    2014-01-01

    Experimental studies by Poehlmann et al. [Phys. Plasmas 17(12), 123508 (2010)] on a coaxial electrode magnetohydrodynamic (MHD) plasma accelerator have revealed two modes of operation. A deflagration or stationary mode is observed for lower power settings, while higher input power leads to a detonation or snowplow mode. A numerical modeling study of a coaxial plasma accelerator using the non-ideal MHD equations is presented. The effect of plasma conductivity on the axial distribution of radial current is studied and found to agree well with experiments. Lower conductivities lead to the formation of a high current density, stationary region close to the inlet/breech, which is a characteristic of the deflagration mode, while a propagating current sheet like feature is observed at higher conductivities, similar to the detonation mode. Results confirm that plasma resistivity, which determines magnetic field diffusion effects, is fundamentally responsible for the two modes.

  12. Magneto-hydrodynamics simulation study of deflagration mode in co-axial plasma accelerators

    SciTech Connect

    Sitaraman, Hariswaran; Raja, Laxminarayan L.

    2014-01-15

    Experimental studies by Poehlmann et al. [Phys. Plasmas 17(12), 123508 (2010)] on a coaxial electrode magnetohydrodynamic (MHD) plasma accelerator have revealed two modes of operation. A deflagration or stationary mode is observed for lower power settings, while higher input power leads to a detonation or snowplow mode. A numerical modeling study of a coaxial plasma accelerator using the non-ideal MHD equations is presented. The effect of plasma conductivity on the axial distribution of radial current is studied and found to agree well with experiments. Lower conductivities lead to the formation of a high current density, stationary region close to the inlet/breech, which is a characteristic of the deflagration mode, while a propagating current sheet like feature is observed at higher conductivities, similar to the detonation mode. Results confirm that plasma resistivity, which determines magnetic field diffusion effects, is fundamentally responsible for the two modes.

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

    SciTech Connect

    Margolis, S.B.; Williams, F.A.

    1994-07-01

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

  14. Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

    SciTech Connect

    Wood, Mitchell A.; Cherukara, Mathew J.; Kober, Edward M.; Strachan, Alejandro

    2015-06-13

    We use molecular dynamics simulations to describe the chemical reactions following shock-induced collapse of cylindrical pores in the high-energy density material RDX. For shocks with particle velocities of 2 km/s we find that the collapse of a 40 nm diameter pore leads to a deflagration wave. Molecular collisions during the collapse lead to ultrafast, multistep chemical reactions that occur under nonequilibrium conditions. WE found that exothermic products formed during these first few picoseconds prevent the nanoscale hotspot from quenching. Within 30 ps, a local deflagration wave develops. It propagates at 0.25 km/s and consists of an ultrathin reaction zone of only ~5 nm, thus involving large temperature and composition gradients. Contrary to the assumptions in current models, a static thermal hotspot matching the dynamical one in size and thermodynamic conditions fails to produce a deflagration wave indicating the importance of nonequilibrium loading in the criticality of nanoscale hot spots. These results provide insight into the initiation of reactive decomposition.

  15. Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

    DOE PAGES

    Wood, Mitchell A.; Cherukara, Mathew J.; Kober, Edward M.; ...

    2015-06-13

    We use molecular dynamics simulations to describe the chemical reactions following shock-induced collapse of cylindrical pores in the high-energy density material RDX. For shocks with particle velocities of 2 km/s we find that the collapse of a 40 nm diameter pore leads to a deflagration wave. Molecular collisions during the collapse lead to ultrafast, multistep chemical reactions that occur under nonequilibrium conditions. WE found that exothermic products formed during these first few picoseconds prevent the nanoscale hotspot from quenching. Within 30 ps, a local deflagration wave develops. It propagates at 0.25 km/s and consists of an ultrathin reaction zone ofmore » only ~5 nm, thus involving large temperature and composition gradients. Contrary to the assumptions in current models, a static thermal hotspot matching the dynamical one in size and thermodynamic conditions fails to produce a deflagration wave indicating the importance of nonequilibrium loading in the criticality of nanoscale hot spots. These results provide insight into the initiation of reactive decomposition.« less

  16. Pre-ignition confinement and deflagration violence in LX-10 and PBX 9501

    SciTech Connect

    Tringe, J. W. Glascoe, E. A.; McClelland, M. A.; Greenwood, D.; Chambers, R. D.; Springer, H. K.; Levie, H. W.

    2014-08-07

    In thermal explosions of the nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)-based explosives LX-10 and PBX-9501, the pre-ignition spatial and temporal heating profile defines the ignition location. The ignition location then determines the extent of inertial confinement and the violence of the resulting deflagration. In this work, we present results of experiments in which ∼23 g cylinders of LX-10 and PBX 9501 in thin-walled aluminum confinement vessels were subjected to identical heating profiles but which presented starkly different energy release signatures. Post-explosion LX-10 containment vessels were completely fragmented, while the PBX 9501 vessels were merely ruptured. Flash x-ray radiography images show that the initiation location for the LX-10 is a few mm farther from the end caps of the vessel relative to the initiation location of PBX 9501. This difference increases deflagration confinement for LX-10 at the time of ignition and extends the pressurization time during which the deflagration front propagates in the explosive. The variation in the initiation location, in turn, is determined by the thermal boundary conditions, which differ for these two explosives because of the larger coefficient of thermal expansion and greater thermal stability of the Viton binder in LX-10 relative to the estane and bis(2,2-dinitropropyl) acetal/formal binder of the PBX 9501. The thermal profile and initiation location were modeled for LX-10 using the hydrodynamics and structures code ALE3D; results indicate temperatures in the vicinity of the ignition location in excess of 274 °C near the time of ignition. The conductive burn rates for these two explosives, as determined by flash x-ray radiography, are comparable in the range 0.1–0.2 mm/μs, somewhat faster than rates observed by strand burner experiments for explosives in the temperature range 150–180 °C and pressures up to 100 MPa. The thinnest-wall aluminum containment vessels

  17. Pre-ignition confinement and deflagration violence in LX-10 and PBX 9501

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Glascoe, E. A.; McClelland, M. A.; Greenwood, D.; Chambers, R. D.; Springer, H. K.; Levie, H. W.

    2014-08-01

    In thermal explosions of the nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)-based explosives LX-10 and PBX-9501, the pre-ignition spatial and temporal heating profile defines the ignition location. The ignition location then determines the extent of inertial confinement and the violence of the resulting deflagration. In this work, we present results of experiments in which ˜23 g cylinders of LX-10 and PBX 9501 in thin-walled aluminum confinement vessels were subjected to identical heating profiles but which presented starkly different energy release signatures. Post-explosion LX-10 containment vessels were completely fragmented, while the PBX 9501 vessels were merely ruptured. Flash x-ray radiography images show that the initiation location for the LX-10 is a few mm farther from the end caps of the vessel relative to the initiation location of PBX 9501. This difference increases deflagration confinement for LX-10 at the time of ignition and extends the pressurization time during which the deflagration front propagates in the explosive. The variation in the initiation location, in turn, is determined by the thermal boundary conditions, which differ for these two explosives because of the larger coefficient of thermal expansion and greater thermal stability of the Viton binder in LX-10 relative to the estane and bis(2,2-dinitropropyl) acetal/formal binder of the PBX 9501. The thermal profile and initiation location were modeled for LX-10 using the hydrodynamics and structures code ALE3D; results indicate temperatures in the vicinity of the ignition location in excess of 274 °C near the time of ignition. The conductive burn rates for these two explosives, as determined by flash x-ray radiography, are comparable in the range 0.1-0.2 mm/μs, somewhat faster than rates observed by strand burner experiments for explosives in the temperature range 150-180 °C and pressures up to 100 MPa. The thinnest-wall aluminum containment vessels presented here

  18. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    NASA Astrophysics Data System (ADS)

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; Scholberg, Kate; Seitenzahl, Ivo R.

    2016-07-01

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption of a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc . At 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.

  19. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    DOE PAGES

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; ...

    2016-07-19

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

  20. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    SciTech Connect

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; Scholberg, Kate; Seitenzahl, Ivo R.

    2016-07-19

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption of a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.

  1. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    SciTech Connect

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; Scholberg, Kate; Seitenzahl, Ivo R.

    2016-07-19

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption of a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.

  2. Simulations of flame acceleration and deflagration-to-detonation transitions in methane-air systems

    SciTech Connect

    Kessler, D.A.; Gamezo, V.N.; Oran, E.S.

    2010-11-15

    Flame acceleration and deflagration-to-detonation transitions (DDT) in large obstructed channels filled with a stoichiometric methane-air mixture are simulated using a single-step reaction mechanism. The reaction parameters are calibrated using known velocities and length scales of laminar flames and detonations. Calculations of the flame dynamics and DDT in channels with obstacles are compared to previously reported experimental data. The results obtained using the simple reaction model qualitatively, and in many cases, quantitatively match the experiments and are found to be largely insensitive to small variations in model parameters. (author)

  3. Stochastic modeling of carbon oxidation

    SciTech Connect

    Chen, W.Y,; Kulkarni, A.; Milum, J.L.; Fan, L.T.

    1999-12-01

    Recent studies of carbon oxidation by scanning tunneling microscopy indicate that measured rates of carbon oxidation can be affected by randomly distributed defects in the carbon structure, which vary in size. Nevertheless, the impact of this observation on the analysis or modeling of the oxidation rate has not been critically assessed. This work focuses on the stochastic analysis of the dynamics of carbon clusters' conversions during the oxidation of a carbon sheet. According to the classic model of Nagle and Strickland-Constable (NSC), two classes of carbon clusters are involved in three types of reactions: gasification of basal-carbon clusters, gasification of edge-carbon clusters, and conversion of the edge-carbon clusters to the basal-carbon clusters due to the thermal annealing. To accommodate the dilution of basal clusters, however, the NSC model is modified for the later stage of oxidation in this work. Master equations governing the numbers of three classes of carbon clusters, basal, edge and gasified, are formulated from stochastic population balance. The stochastic pathways of three different classes of carbon during oxidation, that is, their means and the fluctuations around these means, have been numerically simulated independently by the algorithm derived from the master equations, as well as by an event-driven Monte Carlo algorithm. Both algorithms have given rise to identical results.

  4. Steady Deflagration of PBX-9501 Within a Copper Cylinder

    SciTech Connect

    Pemberton, Steven J.; Herrera, Dennis H.; Herrera, Tommy J.; Arellano, Jesus C.; Sandoval, Thomas D.

    2012-06-26

    A copper cylinder cook-off experiment has been designed to cause steady deflagration in PBX-9501 explosive material. The design is documented and preliminary copper expansion results are presented for steady deflagration with a reaction speed of 1092 +/- 24 m/s. The expansion of reaction products from the detonation of an explosive is something that is well understood, and reasonably simulated using documented equations of state (EOS) for many explosives of interest. These EOS were historically measured using a 'standard' copper cylinder test design; this design comprised an annealed, oxygen-free high conductivity (OFHC) copper tube filled with explosive material and detonated from one end. Expansion of the copper wall was measured as a function of time using either a streak camera (for classic testing), or more recently using laser velocimetry techniques. Expansion data were then used to derive the EOS in various preferred forms - which are not discussed here for the sake of brevity. [Catanach, et. al., 1999] When an explosive deflagrates rather than detonating, simulation becomes more difficult. Reaction products are released on a slower time scale, and the reactions are much more affected by the geometry and local temperature within the reaction environment. It is assumed that the standard, documented EOS will no longer apply. In an effort to establish a first order approximation of deflagration product behavior, a cook-off test has been designed to cause steady deflagration in PBX-9501 explosive material, and to record the copper expansion profile as a function of time during this test. The purpose of the current paper is to document the initial test design and report some preliminary results. A proposal for modification of the design is also presented.

  5. [Forest carbon cycle model: a review].

    PubMed

    Wang, Ping

    2009-06-01

    Forest carbon cycle is one of the important items in the research of terrestrial carbon cycle, while carbon cycle model is an important means in studying the carbon cycle mechanisms of forest ecosystem and in estimating carbon fluxes. Based on the sum-up of main carbon cycle models, this paper classified the forest carbon cycle models into two categories, i.e., patch scale forest carbon cycle models and regional scale terrestrial carbon cycle models, with their features commented. The future development trend in the research of forest carbon cycle models in China was discussed.

  6. Simple ocean carbon cycle models

    SciTech Connect

    Caldeira, K.; Hoffert, M.I.; Siegenthaler, U.

    1994-02-01

    Simple ocean carbon cycle models can be used to calculate the rate at which the oceans are likely to absorb CO{sub 2} from the atmosphere. For problems involving steady-state ocean circulation, well calibrated ocean models produce results that are very similar to results obtained using general circulation models. Hence, simple ocean carbon cycle models may be appropriate for use in studies in which the time or expense of running large scale general circulation models would be prohibitive. Simple ocean models have the advantage of being based on a small number of explicit assumptions. The simplicity of these ocean models facilitates the understanding of model results.

  7. 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.

  8. NUCLEOSYNTHESIS IN TWO-DIMENSIONAL DELAYED DETONATION MODELS OF TYPE Ia SUPERNOVA EXPLOSIONS

    SciTech Connect

    Maeda, K.; Roepke, F.K.; Fink, M.; Hillebrandt, W.; Travaglio, C.; Thielemann, F.-K.

    2010-03-20

    For the explosion mechanism of Type Ia supernovae (SNe Ia), different scenarios have been suggested. In these, the propagation of the burning front through the exploding white dwarf (WD) star proceeds in different modes, and consequently imprints of the explosion model on the nucleosynthetic yields can be expected. The nucleosynthetic characteristics of various explosion mechanisms are explored based on three two-dimensional explosion simulations representing extreme cases: a pure turbulent deflagration, a delayed detonation following an approximately spherical ignition of the initial deflagration, and a delayed detonation arising from a highly asymmetric deflagration ignition. Apart from this initial condition, the deflagration stage is treated in a parameter-free approach. The detonation is initiated when the turbulent burning enters the distributed burning regime. This occurs at densities around 10{sup 7} g cm{sup -3}-relatively low as compared to existing nucleosynthesis studies for one-dimensional spherically symmetric models. The burning in these multidimensional models is different from that in one-dimensional simulations as the detonation wave propagates both into unburned material in the high-density region near the center of a WD and into the low-density region near the surface. Thus, the resulting yield is a mixture of different explosive burning products, from carbon-burning products at low densities to complete silicon-burning products at the highest densities, as well as electron-capture products synthesized at the deflagration stage. Detailed calculations of the nucleosynthesis in all three models are presented. In contrast to the deflagration model, the delayed detonations produce a characteristic layered structure and the yields largely satisfy constraints from Galactic chemical evolution. In the asymmetric delayed detonation model, the region filled with electron capture species (e.g., {sup 58}Ni, {sup 54}Fe) is within a shell, showing a large off

  9. The propagation mechanism of high speed turbulent deflagrations

    NASA Astrophysics Data System (ADS)

    Chao, J.; Lee, J. H. S.

    The propagation regimes of combustion waves in a 30 cm by 30 cm square cross-sectioned tube with an obstacle array of staggered vertical cylindrical rods (with BR=0.41 and BR=0.19) are investigated. Mixtures of hydrogen, ethylene, propane, and methane with air at ambient conditions over a range of equivalence ratios are used. In contrast to the previous results obtained in circular cross-sectioned tubes, it is found that only the quasi-detonation regime and the slow turbulent deflagration regimes are observed for ethylene-air and for propane-air. The transition from the quasi-detonation regime to the slow turbulent deflagration regime occurs at D/λ ~=1 (where D is the tube ``diameter'' and λ is the detonation cell size). When D/λ >>1, the quasi-detonation velocities that are observed are similar to those in unobstructed smooth tubes. For hydrogen-air mixtures, it is found that there is a gradual transition from the quasi-detonation regime to the high speed turbulent deflagration regime. The high speed turbulent deflagration regime is also observed for methane-air mixtures near stoichiometric composition. This regime was previously interpreted as the ``choking'' regime in circular tubes with orifice plate obstacles. Presently, it is proposed that the propagation mechanism of these high speed turbulent deflagrations is similar to that of Chapman-Jouguet detonations and quasi-detonations. As well, it is observed that there exists unstable flame propagation at the lean limit where D/λ ~=1. The local velocity fluctuates significantly about an averaged velocity for hydrogen-air, ethylene-air, and propane-air mixtures. Unstable flame propagation is also observed for the entire range of high speed turbulent deflagrations in methane-air mixtures. It is proposed that these fluctuations are due to quenching of the combustion front due to turbulent mixing. Quenched pockets of unburned reactants are swept downstream, and the subsequent explosion serves to overdrive the

  10. Turbulent Deflagrated Flame Interaction with a Fluidic Jet Flow for Deflagration-to-Detonation Flame Acceleration

    NASA Astrophysics Data System (ADS)

    Chambers, Jessica; McGarry, Joseph; Ahmed, Kareem

    2015-11-01

    Detonation is a high energetic mode of pressure gain combustion. Detonation combustion exploits the pressure rise to augment high flow momentum and thermodynamic cycle efficiencies. The driving mechanism of deflagrated flame acceleration to detonation is turbulence generation and induction. A fluidic jet is an innovative method for the production of turbulence intensities and flame acceleration. Compared to traditional obstacles, the jet reduces the pressure losses and heat soak effects while providing turbulence generation control. The investigation characterizes the turbulent flame-flow interactions. The focus of the study is on classifying the turbulent flame dynamics and the temporal evolution of turbulent flame regime. The turbulent flame-flow interactions are experimentally studied using a LEGO Detonation facility. Advanced high-speed laser diagnostics, particle image velocimetry (PIV), planar laser induced florescence (PLIF), and Schlieren imaging are used in analyzing the physics of the interaction and flame acceleration. Higher turbulence induction is observed within the turbulent flame after contact with the jet, leading to increased flame burning rates. The interaction with the fluidic jet results in turbulent flame transition from the thin reaction zones to the broken reaction regime.

  11. 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.

  12. 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.

  13. Response of a Type III waste tank to hydrogen deflagration

    SciTech Connect

    Gong, Chung; Jerrell, J.W.; Pelfrey, J.R.; Yau, W.W.F.

    1992-01-01

    The type III waste tank is built with ASTM A516 Grade 70 steel shells in the shape of a torus with a central concrete core. The tank is buried underground and covered with a four foot thick reinforced concrete slab. The tank is enriched by 2.5 foot thick reinforced concrete wall. Between the tank surface and the wall there is a 2.5 foot annular space. The tank itself is called the primary liner.'' The interior surface of the concrete wall is line with steel plates, called the secondary liner.'' The base of the tank rests on a concrete mat. Underneath the mat the secondary liner extends from the wall to the central column surfaces. The bottom liner is attached to the reinforced concrete foundation. Based on the conditions that the tank is filled with liquid wastes to 50% of the design capacity, and that the accumulation of hydrogen becomes 20% inside its free board, the resulting deflagration would cause an overpressure of 100 psig in the tank (Wallace and Yau, 1986). The task of this analysis is to simulate the hydrogen deflagration'' scenario in the Type III Waste Tank complex. During the deflagration, the stresses in the steel tank would be expected to exceed the elastic limit of the steel and the tank would then undergo large deformation. The concrete roof slab could be fractured by the expansion of the tank. The central concrete column would start to exhibit large deformation first. All the structural members in the system are expected to interact drastically during the deflagration.

  14. Response of a Type III waste tank to hydrogen deflagration

    SciTech Connect

    Gong, Chung; Jerrell, J.W.; Pelfrey, J.R.; Yau, W.W.F.

    1992-05-01

    The type III waste tank is built with ASTM A516 Grade 70 steel shells in the shape of a torus with a central concrete core. The tank is buried underground and covered with a four foot thick reinforced concrete slab. The tank is enriched by 2.5 foot thick reinforced concrete wall. Between the tank surface and the wall there is a 2.5 foot annular space. The tank itself is called the ``primary liner.`` The interior surface of the concrete wall is line with steel plates, called the ``secondary liner.`` The base of the tank rests on a concrete mat. Underneath the mat the secondary liner extends from the wall to the central column surfaces. The bottom liner is attached to the reinforced concrete foundation. Based on the conditions that the tank is filled with liquid wastes to 50% of the design capacity, and that the accumulation of hydrogen becomes 20% inside its free board, the resulting deflagration would cause an overpressure of 100 psig in the tank [Wallace and Yau, 1986]. The task of this analysis is to simulate the ``hydrogen deflagration`` scenario in the Type III Waste Tank complex. During the deflagration, the stresses in the steel tank would be expected to exceed the elastic limit of the steel and the tank would then undergo large deformation. The concrete roof slab could be fractured by the expansion of the tank. The central concrete column would start to exhibit large deformation first. All the structural members in the system are expected to interact drastically during the deflagration.

  15. Propagation of avalanches in Mn12-acetate: magnetic deflagration.

    PubMed

    Suzuki, Yoko; Sarachik, M P; Chudnovsky, E M; McHugh, S; Gonzalez-Rubio, R; Avraham, Nurit; Myasoedov, Y; Zeldov, E; Shtrikman, H; Chakov, N E; Christou, G

    2005-09-30

    Local time-resolved measurements of fast reversal of the magnetization of single crystals of Mn12-acetate indicate that the magnetization avalanche spreads as a narrow interface that propagates through the crystal at a constant velocity that is roughly 2 orders of magnitude smaller than the speed of sound. We argue that this phenomenon is closely analogous to the propagation of a flame front (deflagration) through a flammable chemical substance.

  16. Deflagration-to-Detonation Transition Control by Nanosecond Gas Discharges

    DTIC Science & Technology

    2008-04-07

    Report 3. DATES COVERED (From – To) 1 April 2007 - 18 August 09 4. TITLE AND SUBTITLE Deflagration-To- Detonation Transition Control By Nanosecond...SUPPLEMENTARY NOTES 14. ABSTRACT During the current project, an extensive experimental study of detonation initiation by high{voltage...nanosecond gas discharges has been performed in a smooth detonation tube with different discharge chambers and various discharge cell numbers. The chambers

  17. Presupernova models and supernovae

    NASA Technical Reports Server (NTRS)

    Sugimoto, D.; Nomoto, K.

    1980-01-01

    The present status of theories of presupernova stellar evolution and the triggering mechanisms of supernova explosions are reviewed. The validity of the single-star approximation for stellar core evolution is considered, and the central density and temperature of the stellar core are discussed. Attention is then given to the results of numerical models of supernova explosions by carbon deflagration of an intermediate mass star, resulting in the total disruption of the star; the photodissociation of iron nuclei in a massive star, resulting in neutron star or black hole formation; and stellar core collapse triggered by electron capture in stars of mass ranging between those of the intermediate mass and massive stars, resulting in neutron star formation despite oxygen deflagration. Helium and carbon combustion and detonation in accreting white dwarfs and the gravitational collapse triggered by electron-pair creation in supermassive stars are also discussed, and problems requiring future investigation are indicated.

  18. Presupernova models and supernovae

    NASA Technical Reports Server (NTRS)

    Sugimoto, D.; Nomoto, K.

    1980-01-01

    The present status of theories of presupernova stellar evolution and the triggering mechanisms of supernova explosions are reviewed. The validity of the single-star approximation for stellar core evolution is considered, and the central density and temperature of the stellar core are discussed. Attention is then given to the results of numerical models of supernova explosions by carbon deflagration of an intermediate mass star, resulting in the total disruption of the star; the photodissociation of iron nuclei in a massive star, resulting in neutron star or black hole formation; and stellar core collapse triggered by electron capture in stars of mass ranging between those of the intermediate mass and massive stars, resulting in neutron star formation despite oxygen deflagration. Helium and carbon combustion and detonation in accreting white dwarfs and the gravitational collapse triggered by electron-pair creation in supermassive stars are also discussed, and problems requiring future investigation are indicated.

  19. Numerical simulations of mechanical and ignition-deflagration responses for PBXs under low-to-medium-level velocity impact loading.

    PubMed

    Yang, Kun; Wu, Yanqing; Huang, Fenglei; Li, Ming

    2017-09-05

    An effective computational model is required to accurately predict the dynamic responses in accidental initiations of explosives. The present work uses a series of two-dimensional mechanical-chemical simulations performed via a hydrodynamic-code, DREXH-2D, to efficiently describe the mechanical and ignition-deflagration responses of cased cylindrical polymer-bonded explosives (PBXs) undergoing a low-to-medium-level impact (70-350m/s) in longitudinal direction. The ignition response was predicted based on an ignition criterion of effective plastic work. Slow burning and its growth to deflagration were described through a pressure-dependent reaction rate equation. The extreme value of effective plastic work was found to be useful to determine the ignition threshold velocity for PBXs. For low-level velocity impact, the incident stress wave reflection from lateral surfaces contributed to the formation of ignition regions. After the ignition, the deflagration was induced in the medium-level impact, and its violence was related to the shock strength. However, the low-strength stress wave only induced reaction at local regions, and sequent burning was no longer sensitive to the strength of incident wave. The predicted pressure and temperature results of PBXs were consistent with the medium-level impact tests performed by China Academy of Engineering Physics. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Eigenvalue analysis and calculations for the deflagration of porous energetic materials in the merged-flame regime

    SciTech Connect

    Ilincic, N.; Margolis, S.B.

    1996-07-01

    Analytical and numerical calculations of the structure and burning rate of a deflagrating porous energetic material are presented for the limiting case of merged condensed and gas-phase reaction zones. The reaction scheme is modeled by a global two-step mechanism, applicable to certain types of degraded nitramine propellants and consisting of sequential condensed and gaseous steps. Taking into account important effects due to multiphase flow and exploiting the limit of large activation energies, a theoretical analysis may be developed based on activation-energy asymptotics. For steady, planar deflagration, this leads to an eigenvalue problem for the inner reaction-zone, the solution of which determines the burning rate. Numerical solutions give a reasonably complete description of the dependence of the structure and burning rate on the various parameters in the problem, and show excellent agreement with analytical results that are obtained in a more limited parameter regime in which most of the heat release is produced by the condensed-phase reaction and the porosity of the solid is small. These calculations indicate the significant influences of two-phase flow and the multiphase, multi-step chemistry on the deflagration structure and the burning rate, and thus serve to define an important parameter regime that supports the intrusion of the primary gas flame into the two-phase condensed decomposition region at the propellant surface.

  1. Control of quantum magnetic deflagration in Mn12 acetate.

    NASA Astrophysics Data System (ADS)

    Hernandez-Minguez, Alberto; Hernandez, Joan Manel; Macia, Ferran; Garcia-Santiago, Antonio; Tejada, Javier; Santos, Paulo

    2006-03-01

    Magnetic avalanches in Mn12-ac involve spin tunneling through an energy barrier which is controlled by the applied magnetic field. The reversal proceeds through the propagation of a narrow magnetic reversal front at constant velocity through the crystal [1]. In this contribution, we demonstrate that the ignition of the deflagration can be controlled in a deterministic way using surface acoustic waves (SAWs). For that purpose, the Mn12 crystal was mounted on the surface of a piezoelectric LiNbO3 substrate containing an interdigital transducer (IDT) for the excitation of SAWs. In the super-paramagnetic regime (above 3 K), the Mn12 magnetization shows pronounced changes when the IDT is excited at its resonant frequencies, thus proving that the crystals can be used as very sensitive acoustic detectors. At low temperatures (below 3 K), both the ignition rate and the velocity of the deflagration front present peaks for the values of the magnetic fields that bring the spin levels on both sides of the tunneling barrier into resonance, thus demonstrating the occurrence of both quantum magnetic ignition and quantum magnetic deflagration [2]. [1] Y. Suzuki et. al., Phys. Rev. Lett. 95, 147201 (2005). [2] A. Hern'andez-M'inguez et. al., Phys. Rev. Lett. 95, 217205 (2005).

  2. 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.

  3. Modelling Sublimation of Carbon Dioxide

    ERIC Educational Resources Information Center

    Winkel, Brian

    2012-01-01

    In this article, the author reports results in their efforts to model sublimation of carbon dioxide and the associated kinetics order and parameter estimation issues in their model. They have offered the reader two sets of data and several approaches to determine the rate of sublimation of a piece of solid dry ice. They presented several models…

  4. Modelling Sublimation of Carbon Dioxide

    ERIC Educational Resources Information Center

    Winkel, Brian

    2012-01-01

    In this article, the author reports results in their efforts to model sublimation of carbon dioxide and the associated kinetics order and parameter estimation issues in their model. They have offered the reader two sets of data and several approaches to determine the rate of sublimation of a piece of solid dry ice. They presented several models…

  5. Deflagration-to-detonation transition in gases in tubes with cavities

    NASA Astrophysics Data System (ADS)

    Smirnov, N. N.; Nikitin, V. F.; Phylippov, Yu. G.

    2010-12-01

    DDT control in gaseous fuel-air mixtures became very acute. This paper contains results of theoretical and experimental investigations of DDT processes in combustible gaseous mixtures. In particular, the paper investigates the effect of cavities incorporated in detonation tubes at the onset of detonation in gases. Extensive numerical modeling and simulations allowed studying the features of deflagration-to-detonation transition in gases in tubes incorporating cavities of a wider cross section. The presence of cavities substantially affects the combustion modes being established in the device and their dependence on the governing parameters of the problem. The influence of geometrical characteristics of the confinement and flow turbulization on the onset of detonation and the influence of temperature and fuel concentration in the unburned mixture are discussed. It was demonstrated both experimentally and theoretically that the presence of cavities of wider cross section in the ignition part of the tube promotes DDT and shortens the predetonation length. At the same time, cavities incorporated along the whole length or in the far-end section inhibit detonation and bring about the onset of low-velocity galloping detonation or galloping combustion modes. The presence of cavities in the ignition section turns an increase in the initial mixture temperature into a DDT-promoting factor instead of a DDT-inhibiting factor.

  6. Multiphase magnetic deflagrations in a Nd5Ge3 single crystal

    NASA Astrophysics Data System (ADS)

    Villuendas, D.; Vélez, S.; Tsutaoka, T.; Hernàndez, J. M.

    2017-02-01

    We report magnetic deflagration phenomena ocurring in both antiferromagnetic and ferromagnetic phases in a single crystal of the intermetallic compound Nd5Ge3. We have investigated, using a trigger heat pulse, the spatial and time-resolved evolution of induced magnetic avalanches as a function of the applied magnetic field. The experimental data fit well with the theory of magnetic deflagration.

  7. Deflagrating white dwarfs and the statistical properties of type I supernovae

    NASA Astrophysics Data System (ADS)

    Graham, James R.

    1987-07-01

    It is generally supposed that the luminosity of a type I supernova (SN I) is powered by the decay of the radioactive isotope Ni-56 which is synthesized and ejected when a white dwarf explodes. The class of models in which thermonuclear ignition leads to the formation of a turbulent burning front and total disruption of the white dwarf is well favored because of the excellent agreement between theory and observations. Despite the maturity of this model it can be criticized because it has not been shown to account for the intrinsic dispersion in the properties of SN I. A careful examination of the importance of the distribution of radioactive material near the center of the explosion suggests how deflagrations may encompass the variation encountered from event to event.

  8. 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

  9. Quantum ignition of deflagration in the Fe8 molecular magnet

    NASA Astrophysics Data System (ADS)

    Leviant, Tom; Keren, Amit; Zeldov, Eli; Myasoedov, Yuri

    2014-10-01

    We report spatially resolved, time-dependent, magnetization reversal measurements of an Fe8 single molecular magnet using a microscopic Hall bar array. We found that a deflagration process, where molecules reverse their spin direction along a moving front, can be ignited quantum mechanically (T →0) at a resonance field, with no phonon pulse. The avalanche front velocity is of the order of 1m/s and is sensitive to field gradients and sweep rates. We also measured the thermal diffusivity κ in Fe8. This allows us to estimate the "flame" temperature.

  10. Four simple ocean carbon models

    NASA Technical Reports Server (NTRS)

    Moore, Berrien, III

    1992-01-01

    This paper briefly reviews the key processes that determine oceanic CO2 uptake and sets this description within the context of four simple ocean carbon models. These models capture, in varying degrees, these key processes and establish a clear foundation for more realistic models that incorporate more directly the underlying physics and biology of the ocean rather than relying on simple parametric schemes. The purpose of this paper is more pedagogical than purely scientific. The problems encountered by current attempts to understand the global carbon cycle not only require our efforts but set a demand for a new generation of scientist, and it is hoped that this paper and the text in which it appears will help in this development.

  11. Deflagration-to-detonation transition project. Quarterly report, December 1979-February 1980

    SciTech Connect

    Lieberman, M.L.

    1980-09-01

    Progress in a project on deflagration-to-detonation transition (DDT) is reported. The activities of this project pertain primarily to the development of small, safe, low-voltage, hot-wire detonators. Its major goals are: the formulation of a modeling capability for DDT of the explosive 2-(5-cyanotetrazolato)pentaamminecobalt (III) perchlorate (CP); the development of improved DDT materials; the establishment of a data base for corrosion, compatibility, and reliability of CP-loaded detonators; and the design and development of advanced DDT components. Information is included on materials development, component development, and compatibility studies encompassing the thermal and chemical stability of CP in contact with the component materials. (LCL)

  12. Potential VOC Deflagrations in a Vented TRU Drum

    SciTech Connect

    Mukesh, GUPTA

    2005-04-07

    The objective of the analysis is to examine the potential for lid ejection from a vented transuranic (TRU) waste drum due to pressure buildup caused by the deflagration of hydrogen and volatile organic compounds (VOCs) inside the drum. In this analysis, the AICC pressure for a stoichiometric mixture of VOCs is calculated and then compared against the experimental peak pressure of stoichiometric combustion of propane and hexane in a combustion chamber. The experimental peak pressures of propane and hexane are about 12 percent lower than the calculated AICC pressure. Additional losses in the drum are calculated due to venting of the gases, drum bulging, waste compaction, and heat losses from the presence of waste in the drum. After accounting for these losses, the final pressures are compared to the minimum observed pressure that ejects the lid from a TRU drum. The ejection pressure of 105 psig is derived from data that was recorded for a series of tests where hydrogen-air mixtures were ignited inside sealed TRU drums. Since the calculated pressures are below the minimum lid ejection pressure, none of the VOCs and the hydrogen (up to 4 percent) mixtures present in the TRU waste drum is expected to cause lid ejection if ignited. The analysis of potential VOC deflagrations in a vented TRU drum can be applied across the DOE-Complex since TRU waste is stored in drums throughout the complex.

  13. Evaluating systematic dependencies of type Ia supernovae : the influence of deflagration to detonation density.

    SciTech Connect

    Jackson, A. P.; Calder, A. C.; Townsley, D. M.; Chamulak, D. A.; Brown, E. F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of {sup 56}Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of {sup 56}Ni masses to those inferred from observations. Within this framework, we utilize a more realistic 'simmered' white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of {sup 56}Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) x 10{sup 7} g cm{sup -3}. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 {+-} 0.004 M {circle_dot} for a 1 Z {circle_dot} increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 {+-} 0.004 M {circle_dot} decrease in the {sup 56}Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  14. EVALUATING SYSTEMATIC DEPENDENCIES OF TYPE Ia SUPERNOVAE: THE INFLUENCE OF DEFLAGRATION TO DETONATION DENSITY

    SciTech Connect

    Jackson, Aaron P.; Calder, Alan C.; Townsley, Dean M.; Chamulak, David A.; Brown, Edward F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of {sup 56}Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of {sup 56}Ni masses to those inferred from observations. Within this framework, we utilize a more realistic 'simmered' white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of {sup 56}Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) x10{sup 7} g cm{sup -3}. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 {+-} 0.004 M {sub sun} for a 1 Z{sub sun} increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 {+-} 0.004 M{sub sun} decrease in the {sup 56}Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  15. Evaluating Systematic Dependencies of Type Ia Supernovae: The Influence of Deflagration to Detonation Density

    NASA Astrophysics Data System (ADS)

    Jackson, Aaron P.; Calder, Alan C.; Townsley, Dean M.; Chamulak, David A.; Brown, Edward F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of 56Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of 56Ni masses to those inferred from observations. Within this framework, we utilize a more realistic "simmered" white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of 56Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) ×107 g cm-3. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 ± 0.004 M sun for a 1 Z sun increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 ± 0.004 M sun decrease in the 56Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  16. Bubble velocity in the nonlinear Rayleigh-Taylor instability at a deflagration front

    SciTech Connect

    Modestov, Mikhail; Bychkov, Vitaly; Betti, Riccardo; Eriksson, Lars-Erik

    2008-04-15

    The Rayleigh-Taylor instability at a deflagration front is studied systematically using extensive direct numerical simulations. It is shown that, for a sufficiently large gravitational field, the effects of bubble rising dominate the deflagration dynamics. It is demonstrated both analytically and numerically that the deflagration speed is described asymptotically by the Layzer theory in the limit of large acceleration. In the opposite limit of small and zero gravitational field, intrinsic properties of the deflagration front become important. In that case, the deflagration speed is determined by the velocity of a planar front and by the Darrieus-Landau instability. Because of these effects, the deflagration speed is larger than predicted by the Layzer theory. An analytical formula for the deflagration speed is suggested, which matches two asymptotic limits of large and small acceleration. The formula is in good agreement with the numerical data in a wide range of Froude numbers. The present results are also in agreement with previous numerical simulations on this problem.

  17. A toy terrestrial carbon flow model

    NASA Technical Reports Server (NTRS)

    Parton, William J.; Running, Steven W.; Walker, Brian

    1992-01-01

    A generalized carbon flow model for the major terrestrial ecosystems of the world is reported. The model is a simplification of the Century model and the Forest-Biogeochemical model. Topics covered include plant production, decomposition and nutrient cycling, biomes, the utility of the carbon flow model for predicting carbon dynamics under global change, and possible applications to state-and-transition models and environmentally driven global vegetation models.

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

    SciTech Connect

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

    2000-03-01

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

  19. 'Tertiary' nuclear burning - Neutron star deflagration?

    NASA Technical Reports Server (NTRS)

    Michel, F. Curtis

    1988-01-01

    A motivation is presented for the idea that dense nuclear matter can burn to a new class of stable particles. One of several possibilities is an 'octet' particle which is the 16 baryon extension of alpha particle, but now composed of a pair of each of the two nucleons, (3Sigma, Delta, and 2Xi). Such 'tertiary' nuclear burning (here 'primary' is H-He and 'secondary' is He-Fe) may lead to neutron star explosions rather than collapse to a black hole, analogous to some Type I supernovae models wherein accreting white dwarfs are pushed over the Chandrasekhar mass limit but explode rather than collapse to form neutron stars. Such explosions could possibly give gamma-ray bursts and power quasars, with efficient particle acceleration in the resultant relativistic shocks. The new stable particles themselves could possibly be the sought-after weakly interacting, massive particles (WIMPs) or 'dark' matter.

  20. 'Tertiary' nuclear burning - Neutron star deflagration?

    NASA Technical Reports Server (NTRS)

    Michel, F. Curtis

    1988-01-01

    A motivation is presented for the idea that dense nuclear matter can burn to a new class of stable particles. One of several possibilities is an 'octet' particle which is the 16 baryon extension of alpha particle, but now composed of a pair of each of the two nucleons, (3Sigma, Delta, and 2Xi). Such 'tertiary' nuclear burning (here 'primary' is H-He and 'secondary' is He-Fe) may lead to neutron star explosions rather than collapse to a black hole, analogous to some Type I supernovae models wherein accreting white dwarfs are pushed over the Chandrasekhar mass limit but explode rather than collapse to form neutron stars. Such explosions could possibly give gamma-ray bursts and power quasars, with efficient particle acceleration in the resultant relativistic shocks. The new stable particles themselves could possibly be the sought-after weakly interacting, massive particles (WIMPs) or 'dark' matter.

  1. Measurement and ALE3D Simulation of Violence in a Deflagration Experiment With LX-10 and Aermet-100 Alloy

    SciTech Connect

    Knap, J; McClelland, M A; Maienschein, J L; Howard, W M; Nichols, A L; deHaven, M R; Strand, O T

    2006-06-22

    We describe the results of a Scaled-Thermal-Explosion-eXperiment (STEX) for LX-10 (94.7 % HMX, 5.3 % Viton A) confined in an AerMet 100 (iron-cobalt-nickel alloy) tube with reinforced end caps. The experimental measurements are compared with predictions of an Arbitrary-Lagrangian-Eulerian (ALE3D) computer model. ALE3D is a three-dimensional multi-physics computer code capable of solving coupled equations describing thermal, mechanical and chemical behavior of materials. In particular, we focus on the processes linked to fracture and fragmentation of the AerMet tube driven by the LX-10 deflagration.

  2. Multiscale Modeling with Carbon Nanotubes

    SciTech Connect

    Maiti, A

    2006-02-21

    Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.

  3. DEFLAGRATION RATES OF SECONDARY EXPLOSIVES UNDER STATIC MPA - GPA PRESSURE

    SciTech Connect

    Zaug, J; Young, C; Long, G; Maienschein, J; Glascoe, E; Hansen, D; Wardell, J; Black, C; Sykora, G

    2009-07-30

    We provide measurements of the chemical reaction propagation rate (RPR) as a function of pressure using diamond anvil cell (DAC) and strand burner technologies. Materials investigated include HMX and RDX crystalline powders, LX-04 (85% HMX and 15% Viton A), and Composition B (63% RDX, 36% TNT, 1% wax). The anomalous correspondence between crystal structure, including in some instances isostructural phase transitions, on pressure dependent RPRs of HMX and RDX are correlated to confocal micro-Raman spectroscopic results. The contrast between DAC GPa and strand burner MPa regime measurements yield insight into explosive material burn phenomena. Here we highlight pressure dependent physicochemical mechanisms that appear to affect the deflagration rate of precompressed energetic materials.

  4. A plasma deflagration accelerator as a platform for laboratory astrophysics

    NASA Astrophysics Data System (ADS)

    Underwood, Thomas C.; Loebner, Keith T. K.; Cappelli, Mark A.

    2017-06-01

    The replication of astrophysical flows in the laboratory is critical for isolating particular phenomena and dynamics that appear in complex, highly-coupled natural systems. In particular, plasma jets are observed in astrophysical contexts at a variety of scales, typically at high magnetic Reynolds number and driven by internal currents. In this paper, we present detailed measurements of the plasma parameters within deflagration-produced plasma jets, the scaling of these parameters against both machine operating conditions and the corresponding astrophysical phenomena. Using optical and spectroscopic diagnostics, including Schlieren cinematography, we demonstrate the production of current-driven plasma jets of ∼100 km/s and magnetic Reynolds numbers of ∼100, and discuss the dynamics of their acceleration into vacuum. The results of this study will contribute to the reproduction of various types of astrophysical jets in the laboratory and indicate the ability to further probe active research areas such as jet collimation, stability, and interaction.

  5. The Physics of Deflagration-to-Detonation Transition in Type Ia Supernovae

    NASA Astrophysics Data System (ADS)

    Poludnenko, Alexei

    BACKGROUND: The scenario currently best capable of explaining the observational properties of normal bright type Ia supernovae (SNIa), which are of primary importance for cosmology, is the delayed detonation model of the explosion of a white dwarf star with the mass near the Chandrasekhar limit in a single-degenerate binary system. In this model, the explosion starts as a subsonic deflagration that later transitions to a supersonic detonation (deflagration-to-detonation transition, or DDT). Significant progress has been made over the years both experimentally and numerically in elucidating the physics of DDT in terrestrial confined systems. It remains unclear, however, whether and how a detonation can be formed in an unpressurized, unconfined system such as the interior of a WD. Modern large-scale multidimensional models of SNIa cannot capture the DDT process and, thus, are forced to make two crucial assumptions, namely (a) that DDT does occur at some point, and (b) when and where it occurs. As a result, delayed detonation is a parameterized model that must be "tuned" in order to obtain the proper match with the observations. This substantially hinders the possibility of investigating potential sources of systematic errors in the calibration of normal bright SNIa as standard candles. Recently we have carried out a systematic study of the high-speed turbulence-flame interaction through first-principles direct numerical simulations (DNS) using reaction models similar to those describing terrestrial chemical flames. Our analysis has shown that at sufficiently high turbulent intensities, subsonic turbulent flames in unconfined environments, such as the WD interior, are indeed inherently susceptible to DDT. The associated mechanism is based on the unsteady evolution of turbulent flames faster than the Chapman-Jouguet deflagrations. This process is qualitatively different from the traditional spontaneous reaction wave model and does not require the formation of

  6. 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.

  7. High-speed OH-PLIF imaging of deflagration-to-detonation transition in H2-air mixtures

    NASA Astrophysics Data System (ADS)

    Boeck, Lorenz R.; Mével, Rémy; Fiala, Thomas; Hasslberger, Josef; Sattelmayer, Thomas

    2016-06-01

    Planar laser-induced fluorescence (PLIF) is considered a standard experimental technique in combustion diagnostics. However, it has only been occasionally applied to explosion experiments with fast combustion regimes. It has been shown that single-shot OH-PLIF with high pulse energies yields clear fluorescence images of fast deflagrations and also detonations. This paper presents the first application of high-speed OH-PLIF at 20 kHz repetition rate to a deflagration-to-detonation transition experiment. Hydrogen-air mixtures at initial atmospheric pressure and ambient temperature are investigated. Satisfactory results are obtained for flame speeds up to about 500 m/s. Flame instabilities and turbulence-flame interactions are observed. Two factors limit the applicability of HS OH-PLIF toward higher flame speeds: excessive flame luminescence masking the HS OH-PLIF signal and strong absorption of laser light by the flame. The variation in OH-PLIF signal-to-background ratio across a DDT process is studied using a 1D laminar premixed flame simulation extended by spectroscopic models.

  8. Carbon dioxide dangers demonstration model

    USGS Publications Warehouse

    Venezky, Dina; Wessells, Stephen

    2010-01-01

    Carbon dioxide is a dangerous volcanic gas. When carbon dioxide seeps from the ground, it normally mixes with the air and dissipates rapidly. However, because carbon dioxide gas is heavier than air, it can collect in snowbanks, depressions, and poorly ventilated enclosures posing a potential danger to people and other living things. In this experiment we show how carbon dioxide gas displaces oxygen as it collects in low-lying areas. When carbon dioxide, created by mixing vinegar and baking soda, is added to a bowl with candles of different heights, the flames are extinguished as if by magic.

  9. Carbon export algorithm advancements in models

    NASA Astrophysics Data System (ADS)

    Çağlar Yumruktepe, Veli; Salihoğlu, Barış

    2015-04-01

    The rate at which anthropogenic CO2 is absorbed by the oceans remains a critical question under investigation by climate researchers. Construction of a complete carbon budget, requires better understanding of air-sea exchanges and the processes controlling the vertical and horizontal transport of carbon in the ocean, particularly the biological carbon pump. Improved parameterization of carbon sequestration within ecosystem models is vital to better understand and predict changes in the global carbon cycle. Due to the complexity of processes controlling particle aggregation, sinking and decomposition, existing ecosystem models necessarily parameterize carbon sequestration using simple algorithms. Development of improved algorithms describing carbon export and sequestration, suitable for inclusion in numerical models is an ongoing work. Existing unique algorithms used in the state-of-the art ecosystem models and new experimental results obtained from mesocosm experiments and open ocean observations have been inserted into a common 1D pelagic ecosystem model for testing purposes. The model was implemented to the timeseries stations in the North Atlantic (BATS, PAP and ESTOC) and were evaluated with datasets of carbon export. Targetted topics of algorithms were PFT functional types, grazing and vertical movement of zooplankton, and remineralization, aggregation and ballasting dynamics of organic matter. Ultimately it is intended to feed improved algorithms to the 3D modelling community, for inclusion in coupled numerical models.

  10. Measurable Pools of Soil Carbon for Carbon Cycle Modeling

    NASA Astrophysics Data System (ADS)

    Mayes, M. A.; Wang, G.; Abramoff, R. Z.; Xu, X.; Hartman, M. D.; Feng, W.; Davidson, E.; Finzi, A.; Moorhead, D.; Schimel, J.; O'Brien, S. L.; Thornton, P. E.

    2016-12-01

    Carbon in soils can have long residence times, but the exact mechanisms are not well understood, which complicates defining pools and parameters for carbon cycling models. Physical protection involves the formation of hierarchical aggregates of mineral-associated carbon, microbes, and particulate carbon. Aggregation leads to a complex pore structure, which can alter moisture potentials, gas diffusion rates, ionic strength and composition of soil solutions, and nutrient availability for microbes. Diffusion gradients between pore size classes can also sequester organic materials from microbes and their accompanying enzymes. Mineral protection is considered to involve sorption of dissolved organic compounds onto reactive clays and iron and aluminum oxides, but there is controversy as to whether sorption occurs as a monolayer or in complex architectures, as well as the degree of mineral coverage. Further, pore structure can alter the ionic composition of porewaters, thereby influencing the extent and nature of adsorption and desorption. Only mineral protection is thought to yield the long residence times found in soils, but dynamics of these pools are poorly constrained in models due to an absence of long-term measurements and an accompanying lack of process understanding. This talk will review the evidence for and against these different mechanisms of carbon preservation, with particular attention to definitions of soil pools for modeling and the influence of protection mechanisms on carbon pool residence times.

  11. Manufacture and deflagration of an atomic hydrogen propellant

    NASA Technical Reports Server (NTRS)

    Rosen, G.

    1974-01-01

    It is observed that the use of very low temperatures (in the range from 0.1 to 1.5 K) produced by advanced cryogenic apparatus and the use of very strong magnetic fields (in the range from 50 to 100 kG) produced by superconducting magnets can yield a significant improvement in the atomic hydrogen trapping effectiveness of an H2 matrix. The use of a radioactive beta-ray emiter isotope may yield H-H2 propellants (with a specific impulse of about 740 sec) by secondary electron impact dissociations of H2 in an impregnated matrix maintained below 1 K in a strong magnetic field. Another method for manufacturing an H-H2 propellant involves bombardment of supercooled solid H2 with a cyclotron-produced beam of 10-MeV hydrogen atoms. The matrix-isolated atomic hydrogen must be used directly without prior melting as a solid propellant, and an analysis of the steady deflagration is presented.

  12. 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.

  13. Deflagration-to-detonation transition in granular HMX

    NASA Technical Reports Server (NTRS)

    Campbell, A. W.

    1980-01-01

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

  14. A Tracer Method for Computing Type Ia Supernova Yields: Burning Model Calibration, Reconstruction of Thickened Flames, and Verification for Planar Detonations

    NASA Astrophysics Data System (ADS)

    Townsley, Dean M.; Miles, Broxton J.; Timmes, F. X.; Calder, Alan C.; Brown, Edward F.

    2016-07-01

    We refine our previously introduced parameterized model for explosive carbon-oxygen fusion during thermonuclear Type Ia supernovae (SNe Ia) by adding corrections to post-processing of recorded Lagrangian fluid-element histories to obtain more accurate isotopic yields. Deflagration and detonation products are verified for propagation in a medium of uniform density. A new method is introduced for reconstructing the temperature-density history within the artificially thick model deflagration front. We obtain better than 5% consistency between the electron capture computed by the burning model and yields from post-processing. For detonations, we compare to a benchmark calculation of the structure of driven steady-state planar detonations performed with a large nuclear reaction network and error-controlled integration. We verify that, for steady-state planar detonations down to a density of 5 × 106 g cm-3, our post-processing matches the major abundances in the benchmark solution typically to better than 10% for times greater than 0.01 s after the passage of the shock front. As a test case to demonstrate the method, presented here with post-processing for the first time, we perform a two-dimensional simulation of a SN Ia in the scenario of a Chandrasekhar-mass deflagration-detonation transition (DDT). We find that reconstruction of deflagration tracks leads to slightly more complete silicon burning than without reconstruction. The resulting abundance structure of the ejecta is consistent with inferences from spectroscopic studies of observed SNe Ia. We confirm the absence of a central region of stable Fe-group material for the multi-dimensional DDT scenario. Detailed isotopic yields are tabulated and change only modestly when using deflagration reconstruction.

  15. 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.

  16. Cook-off violence mapping and pressure-volume relations with a scaled deflagration cylinder test

    NASA Astrophysics Data System (ADS)

    Pierce, Timothy; Hooks, Daniel

    2009-06-01

    There have been significant advances in the scientific understanding of cook-off in explosives, which have led to a generalized mechanistic understanding of the processes involved for certain explosives. Several deflagration cylinder tests (DFCT) tests were recently fielded that alluded to regimes of outcomes depending on the history and state of the system. Importantly, a few of these tests also exhibited steady-wave combustion that enabled, using the method of G. I. Taylor, extraction of a pressure-volume relation for the conditions of the test. Such a relation, dubbed a ``pseudo-equation of state'' (pEOS), allows one to inform models to simulate the possible outcomes of violent reaction using hydrodynamic codes. Thus, this test was extremely valuable in that it demonstrated the possibility of both mapping outcomes based on system variables and external conditions and provides data to inform predictive models. We describe a scaled version of the DFCT. It delivers pEOS data when steady combustion is observed, and is inexpensive enough to map outcomes by fielding many tests.

  17. Gravitational waves from deflagration bubbles in first-order phase transitions

    SciTech Connect

    Megevand, Ariel

    2008-10-15

    The walls of bubbles in a first-order phase transition can propagate either as detonations, with a velocity larger than the speed of sound, or deflagrations, which are subsonic. We calculate the gravitational radiation that is produced by turbulence during a phase transition which develops via deflagration bubbles. We take into account the fact that a deflagration wall is preceded by a shock front which distributes the latent heat throughout space and influences other bubbles. We show that turbulence can induce peak values of {omega}{sub GW} as high as {approx}10{sup -9}. We discuss the possibility of detecting at LISA (Laser Interferometer Space Antennae) gravitational waves produced in the electroweak phase transition with wall velocities v{sub w} < or approx. 10{sup -1}, which favor electroweak baryogenesis.

  18. Structural modeling of amorphous conducting carbon film

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, Somnath; Pati, Swapan K.; Subramanyam, S. V.

    1998-04-01

    Amorphous conducting carbon films are prepared using plasma assisted polymerization process. SEM and TEM shows random aggregate of globular clusters of micron size inside the samples. Electrical measurements indicate a near metallic nature. A tendency of saturation of resistivity at low temperature is observed. From spectroscopic analysis we find some unusual features. Based on these observations a structural model of this carbon is proposed.

  19. The Peculiar SN 2005hk: Do Some Type Ia Supernovae Explode As Deflagrations?

    SciTech Connect

    Phillips, M.M.; Li, W.; Frieman, J.A.; Blinnikov, S.I.; DePoy, D.; Prieto, J.L.; Milne, P.; Contreras, C.; Folatelli, Gaston; Morrell, N.; Hamuy, M.; Suntzeff, N.B.; Roth, M.; Gonzalez, S.; Krzeminski, W.; Filippenko, A.V.; Freedman, W.L.; Chornock, R.; Jha, S.; Madore, B.F.; Persson, S.E.; /Las Campanas Observ. /UC, Berkeley, Astron. Dept. /Chicago U., Astron. Astrophys. Ctr. /KICP, Chicago /Fermilab /Moscow, ITEP /Garching, Max Planck Inst. /Ohio State U., Dept. Astron. /Arizona U., Astron. Dept. - Steward Observ. /Chile U., Santiago /Texas A-M /Carnegie Inst. Observ. /KIPAC, Menlo Park /Caltech, IPAC /Notre Dame U. /South African Astron. Observ. /Cape Town U. /Washington U., Seattle, Astron. Dept. /New Mexico State U. /Chicago U., FLASH /Baltimore, Space Telescope Sci.

    2006-11-14

    We present extensive u{prime}g{prime}r{prime}i{prime} BV RIY JHK{sub s} photometry and optical spectroscopy of SN 2005hk. These data reveal that SN 2005hk was nearly identical in its observed properties to SN 2002cx, which has been called 'the most peculiar known type Ia supernova'. Both supernovae exhibited high ionization SN 1991T-like pre-maximum spectra, yet low peak luminosities like SN 1991bg. The spectra reveal that SN 2005hk, like SN 2002cx, exhibited expansion velocities that were roughly half those of typical type Ia supernovae. The R and I light curves of both supernovae were also peculiar in not displaying the secondary maximum observed for normal type Ia supernovae. Our Y JH photometry of SN 2005hk reveals the same peculiarity in the near-infrared. By combining our optical and near-infrared photometry of SN 2005hk with published ultraviolet light curves obtained with the Swift satellite, we are able to construct a bolometric light curve from {approx} 10 days before to {approx}60 days after B maximum. The shape and unusually low peak luminosity of this light curve, plus the low expansion velocities and absence of a secondary maximum at red and near-infrared wavelengths, are all in reasonable agreement with model calculations of a 3D deflagration which produces {approx} 0.25 M{sub {circle_dot}} of {sup 56}Ni.

  20. On the mechanism of the deflagration-to-detonation transition in a hydrogen-oxygen mixture

    SciTech Connect

    Liberman, M. A.; Ivanov, M. F.; Kiverin, A. D.; Kuznetsov, M. S.; Rakhimova, T. V.; Chukalovskii, A. A.

    2010-10-15

    The flame acceleration and the physical mechanism underlying the deflagration-to-detonation transition (DDT) have been studied experimentally, theoretically, and using a two-dimensional gasdynamic model for a hydrogen-oxygen gas mixture by taking into account the chain chemical reaction kinetics for eight components. A flame accelerating in a tube is shown to generate shock waves that are formed directly at the flame front just before DDT occurred, producing a layer of compressed gas adjacent to the flame front. A mixture with a density higher than that of the initial gas enters the flame front, is heated, and enters into reaction. As a result, a high-amplitude pressure peak is formed at the flame front. An increase in pressure and density at the leading edge of the flame front accelerates the chemical reaction, causing amplification of the compression wave and an exponentially rapid growth of the pressure peak, which 'drags' the flame behind. A high-amplitude compression wave produces a strong shock immediately ahead of the reaction zone, generating a detonation wave. The theory and numerical simulations of the flame acceleration and the new physical mechanism of DDT are in complete agreement with the experimentally observed flame acceleration, shock formation, and DDT in a hydrogen-oxygen gas mixture.

  1. Deflagration-to-detonation transition project: quarterly report for the period September through November 1979

    SciTech Connect

    Lieberman, M. L.

    1980-07-01

    The activities of the Sandia Laboratories project on deflagration-to-detonation transition (DDT) pertain primarily to the development of small, safe, low-voltage, hot-wire detonators. Its major goals are: the formulation of a modeling capability for DDT of the explosive 2-(5-cyanotetrazolato)pentaamminecobalt(III) perchlorate (CP); the development of improved DDT materials; the establishment of a data base for corrosion, compatibility, and reliability of CP-loaded detonators; and the design and development of advanced DDT components. Progress in this research is reported. The planned development of the MC3423 detonator has been completed and the final design review meeting has been held. Additional work must be performed to establish satisfactory output function. Ignition sensitivity data have also been obtained. Ignition and shock testing experiments for development of the MC3533 detonator have been planned. An initial version of the component will utilize available MC3423 headers, while the final design will incorporate a new header that has been designed and ordered. Detonator performance studies have been planned to optimize CP density-length factors. Feasibility studies on the MC3196A detonator have continued in an effort to obtain a reliable 50-200 ..mu..s function time.

  2. A statistical model of carbon/carbon composite failure

    NASA Technical Reports Server (NTRS)

    Slattery, Kerry T.

    1991-01-01

    A failure model which considers the stochastic nature of the damage accumulation process is essential to assess reliability and to accurately scale the results from standard test specimens to composite structures. A superior filamentary composite for high temperature applications is composed of carbon fibers in a carbon matrix. Carbon-carbon composites are the strongest known material at very high temperatures. Since there appears to be a significant randomness in C-C material strength which cannot be controlled or detected with current technology, a better model of the material failure based upon statistical principles should be used. Simple applications of the model based upon the limited data provide encouraging results that indicate that better design of test specimens would provide a substantially higher prediction for the design strength of C-C composites. An A-basis strength for the C-C tensile rings from a first stage D-5 billets was estimated. A statistical failure model was developed for these rings which indicates that this strength may be very conservative for larger C-C parts. The analysis may be improved by use of a heterogeneous/noncontinuum finite element approach on the minimechanical level.

  3. Realistic molecular models for disordered porous carbons

    NASA Astrophysics Data System (ADS)

    Pikunic, Jorge Pablo

    The complex pore morphology and topology of many non-graphitizable porous carbons is not captured by the current molecular models that are used in analysis of adsorption isotherms. We present a novel constrained reverse Monte Carlo method to build models that quantitatively match carbon-carbon pair correlation functions obtained from experimental diffraction data of real nanoporous carbons. Our approach is based on reverse Monte Carlo with carefully selected constraints on the bond angles and carbon coordination numbers that describe the three-body correlations. Through successive Monte Carlo moves, using a simulated annealing scheme, the model structure is matched to the experimental diffraction data, subject to the imposed three-body constraints. We modeled a series of saccharose-based carbons and tested the resulting models against high resolution transmission electron microscopy (TEM) data. Simulated TEM images of the resulting structural models are in very good agreement with experimental ones. For the carbons studied, the pore structure is highly convoluted, and the commonly used slit pore model is not appropriate. We simulated adsorption of nitrogen and argon at 77 K using grand canonical Monte Carlo, and diffusion of argon at 300 K using canonical molecular dynamics simulations. The isosteric heats of adsorption at 77 K are in excellent agreement with experimental results. The adsorption isotherms and heats of adsorption in these models do not resemble those for fluids in slit pores having the same pore size distribution. We found that diffusion in the structural models is non-Fickian. Instead, a strong single-file character is observed, revealed by the proportionality of the mean square displacement to the square root of time at relatively long times. The single-file mode is a consequence of the small sizes of the quasi one-dimensional pores in the adsorbent models. To the best of our knowledge, single-file mode or transitional behavior between normal and

  4. Plasma-assisted ignition and deflagration-to-detonation transition.

    PubMed

    Starikovskiy, Andrey; Aleksandrov, Nickolay; Rakitin, Aleksandr

    2012-02-13

    Non-equilibrium plasma demonstrates great potential to control ultra-lean, ultra-fast, low-temperature flames and to become an extremely promising technology for a wide range of applications, including aviation gas turbine engines, piston engines, RAMjets, SCRAMjets and detonation initiation for pulsed detonation engines. The analysis of discharge processes shows that the discharge energy can be deposited into the desired internal degrees of freedom of molecules when varying the reduced electric field, E/n, at which the discharge is maintained. The amount of deposited energy is controlled by other discharge and gas parameters, including electric pulse duration, discharge current, gas number density, gas temperature, etc. As a rule, the dominant mechanism of the effect of non-equilibrium plasma on ignition and combustion is associated with the generation of active particles in the discharge plasma. For plasma-assisted ignition and combustion in mixtures containing air, the most promising active species are O atoms and, to a smaller extent, some other neutral atoms and radicals. These active particles are efficiently produced in high-voltage, nanosecond, pulse discharges owing to electron-impact dissociation of molecules and electron-impact excitation of N(2) electronic states, followed by collisional quenching of these states to dissociate the molecules. Mechanisms of deflagration-to-detonation transition (DDT) initiation by non-equilibrium plasma were analysed. For longitudinal discharges with a high power density in a plasma channel, two fast DDT mechanisms have been observed. When initiated by a spark or a transient discharge, the mixture ignited simultaneously over the volume of the discharge channel, producing a shock wave with a Mach number greater than 2 and a flame. A gradient mechanism of DDT similar to that proposed by Zeldovich has been observed experimentally under streamer initiation.

  5. Visualization and Measurement of the Deflagration of Metal-Foil Bounded JA2

    DTIC Science & Technology

    2015-06-01

    ARL‐TR‐7322 ● JUNE 2015          US Army Research Laboratory      Visualization and  Measurement  of the  Deflagration of Metal‐Foil Bounded...Visualization and  Measurement  of the  Deflagration of Metal‐Foil Bounded JA2    John J Ritter and Anthony Canami  Weapons and Materials Research...

  6. Pyrotechnic hazards classification and evaluation program test report. Heat flux study of deflagrating pyrotechnic munitions

    NASA Technical Reports Server (NTRS)

    Fassnacht, P. O.

    1971-01-01

    A heat flux study of deflagrating pyrotechnic munitions is presented. Three tests were authorized to investigate whether heat flux measurements may be used as effective hazards evaluation criteria to determine safe quantity distances for pyrotechnics. A passive sensor study was conducted simultaneously to investigate their usefulness in recording events and conditions. It was concluded that heat flux measurements can effectively be used to evaluate hazards criteria and that passive sensors are an inexpensive tool to record certain events in the vicinity of deflagrating pyrotechnic stacks.

  7. Deflagration-to-detonation transition in small-diameter columns of PETN

    SciTech Connect

    Dinegar, R.H.

    1981-03-01

    The transition from deflagration to detonation in pure pentaerythritol tetranitrate (PETN) confined in small-diameter (2-mm) steel columns of three lengths (6.4, 9.6, and 12.8 mm) was examined. These relatively low density pressings of PETN were deflagrated by donor charges of high-density PETN that had been ignited by a hot wire. A dent produced in an aluminum witness block was the criterion for determining detonation. The transition from burning to detonation occurred in pressings of all three lengths. Detonation velocities sufficient to initiate high-density PETN booster pellets were reached in the 9.6- and 12.8-mm pressings.

  8. Carbon cycle modeling calculations for the IPCC

    SciTech Connect

    Wuebbles, D.J.; Jain, A.K.

    1993-08-12

    We carried out essentially all the carbon cycle modeling calculations that were required by the IPCC Working Group 1. Specifically, IPCC required two types of calculations, namely, ``inverse calculations`` (input was CO{sub 2} concentrations and the output was CO{sub 2} emissions), and the ``forward calculations`` (input was CO{sub 2} emissions and output was CO{sub 2} concentrations). In particular, we have derived carbon dioxide concentrations and/or emissions for several scenarios using our coupled climate-carbon cycle modelling system.

  9. Modeling of wormhole behavior in carbonate acidizing

    SciTech Connect

    Hung, K.M.

    1987-01-01

    A mathematical model that describes the growth and competition of wormholes during an acidizing treatment in a carbonate formation is developed. The purpose of the treatment is to remove any near wellbore permeability damage created by drilling or completion fluids so that the production of reservoir fluids is stimulated. Hydrochloric acid is commonly used for this purpose. Since the acid solution tends to flow into the less resistant areas, large pores on the rock surface receive most acid fluid. Pores are enlarged due to the reaction between acid solution and carbonates. The growth of large pores in the formation is referred to as wormholing. Results from the model show that wormholes are formed due to the heterogeneity of carbonate rock and the reaction kinetics between acid and carbonates. Formation of a dominant wormhole is controlled by fluid diffusivity and fluid loss. Model results have good agreement with the results from published papers.

  10. Processing, characterization and modeling of carbon nanofiber modified carbon/carbon composites

    NASA Astrophysics Data System (ADS)

    Samalot Rivera, Francis J.

    Carbon/Carbon (C/C) composites are used in high temperature applications because they exhibit excellent thermomechanical properties. There are several challenges associated with the processing of C/C composites that include long cycle times, formation of closed porosity within fabric woven architecture and carbonization induced cracks that can lead to reduction of mechanical properties. This work addresses various innovative approaches to reduce processing uncertainties and thereby improve thermomechanical properties of C/C by using vapor grown carbon nanofibers (VGCNFs) in conjunction with carbon fabric and precursor phenolic matrix. The different aspects of the proposed research contribute to understanding of the translation of VGCNFs properties in a C/C composite. The specific objectives of the research are; (a) To understand the mechanical properties and microstructural features of phenolic resin precursor with and without modification with VGCNFs; (b) To develop innovative processing concepts that incorporate VGCNFs by spraying them on carbon fabric and/or adding VGCNFs to the phenolic resin precursor; and characterizing the process induced thermal and mechanical properties; and (c) To develop a finite element model to evaluate the thermal stresses developed in the carbonization of carbon/phenolic with and without VGCNFs. Addition of VGCNFs to phenolic resin enhanced the thermal and physical properties in terms of flexure and interlaminar properties, storage modulus and glass transition temperature and lowered the coefficient of thermal expansion. The approaches of spraying VGCNFs on the fabric surface and mixing VGCNFs with the phenolic resin was found to be effective in enhancing mechanical and thermal properties of the resulting C/C composites. Fiber bridging, improved carbon yield and minimization of carbonization-induced damage were the benefits of incorporating VGCNFs in C/C composites. Carbonization induced matrix cracking predicted by the finite

  11. Mathematical models of carbon-carbon composite deformation

    NASA Astrophysics Data System (ADS)

    Golovin, N. N.; Kuvyrkin, G. N.

    2016-09-01

    Mathematical models of carbon-carbon composites (CCC) intended for describing the processes of deformation of structures produced by using CCC under high-temperature loading are considered. A phenomenological theory of CCC inelastic deformation is proposed, where such materials are considered as homogeneous ones with effective characteristics and where their high anisotropy of mechanical characteristics and different ways of resistance to extension and compression are taken into account. Micromechanical models are proposed for spatially reinforced CCC, where the difference between mechanical characteristics of components and the reinforcement scheme are taken into account. Themodel parameters are determined from the results of experiments of composite macrospecimens in the directions typical of the material. A version of endochronictype theory with several internal times "launched" for each composite component and related to some damage accumulation mechanisms is proposed for describing the inelastic deformation. Some practical examples are considered.

  12. Autoignition due to hydraulic resistance and deflagration-to-detonation transition

    SciTech Connect

    Kagan, L.; Sivashinsky, G.

    2008-07-15

    A further development of the friction-based concept of the deflagration-to-detonation transition is presented. Employing Zeldovich's quasi-one-dimensional formulation for combustion in hydraulically resisted flows, the autoignition of the unburned gas subjected to the friction-induced precompression and preheating is assessed. It is shown that autoignition, triggering the transition, is readily attainable for quite realistic parameters. (author)

  13. Temperature effects on failure thickness and deflagration-to-detonation transition in PBX 9502 and TATB

    SciTech Connect

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

    1993-04-01

    The deflagration-to-detonation (DDT) behavior of TATB has been investigated at high temperatures and severe confinement. comparison is made to other common explosives under similar confinement. TATB did not DDT under these conditions. The failure thickness of PBX 9502 at 250{degrees}C has also been determined. Two mm appears to be the limiting value at this temperature.

  14. Temperature effects on failure thickness and deflagration-to-detonation transition in PBX 9502 and TATB

    SciTech Connect

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

    1993-01-01

    The deflagration-to-detonation (DDT) behavior of TATB has been investigated at high temperatures and severe confinement. comparison is made to other common explosives under similar confinement. TATB did not DDT under these conditions. The failure thickness of PBX 9502 at 250[degrees]C has also been determined. Two mm appears to be the limiting value at this temperature.

  15. A Thermal Model for Carbon Nanotube Interconnects

    PubMed Central

    Mohsin, Kaji Muhammad; Srivastava, Ashok; Sharma, Ashwani K.; Mayberry, Clay

    2013-01-01

    In this work, we have studied Joule heating in carbon nanotube based very large scale integration (VLSI) interconnects and incorporated Joule heating influenced scattering in our previously developed current transport model. The theoretical model explains breakdown in carbon nanotube resistance which limits the current density. We have also studied scattering parameters of carbon nanotube (CNT) interconnects and compared with the earlier work. For 1 µm length single-wall carbon nanotube, 3 dB frequency in S12 parameter reduces to ~120 GHz from 1 THz considering Joule heating. It has been found that bias voltage has little effect on scattering parameters, while length has very strong effect on scattering parameters. PMID:28348333

  16. Fracture of Carbon Nanotube - Amorphous Carbon Composites: Molecular Modeling

    NASA Technical Reports Server (NTRS)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    Carbon nanotubes (CNTs) are promising candidates for use as reinforcements in next generation structural composite materials because of their extremely high specific stiffness and strength. They cannot, however, be viewed as simple replacements for carbon fibers because there are key differences between these materials in areas such as handling, processing, and matrix design. It is impossible to know for certain that CNT composites will represent a significant advance over carbon fiber composites before these various factors have been optimized, which is an extremely costly and time intensive process. This work attempts to place an upper bound on CNT composite mechanical properties by performing molecular dynamics simulations on idealized model systems with a reactive forcefield that permits modeling of both elastic deformations and fracture. Amorphous carbon (AC) was chosen for the matrix material in this work because of its structural simplicity and physical compatibility with the CNT fillers. It is also much stiffer and stronger than typical engineering polymer matrices. Three different arrangements of CNTs in the simulation cell have been investigated: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. The SWNT and MWNT array systems are clearly idealizations, but the SWNT bundle system is a step closer to real systems in which individual tubes aggregate into large assemblies. The effect of chemical crosslinking on composite properties is modeled by adding bonds between the CNTs and AC. The balance between weakening the CNTs and improving fiber-matrix load transfer is explored by systematically varying the extent of crosslinking. It is, of course, impossible to capture the full range of deformation and fracture processes that occur in real materials with even the largest atomistic molecular dynamics simulations. With this limitation in mind, the simulation results reported here provide a plausible upper limit on

  17. Critical deflagration waves leading to detonation onset under different boundary conditions

    NASA Astrophysics Data System (ADS)

    Lin, Wei; Zhou, Jin; Fan, Xiao-Hua; Lin, Zhi-Yong

    2015-01-01

    High-speed turbulent critical deflagration waves before detonation onset in H2-air mixture propagated into a square cross section channel, which was assembled of optional rigid rough, rigid smooth, or flexible walls. The corresponding propagation characteristic and the influence of the wall boundaries on the propagation were investigated via high-speed shadowgraph and a high-frequency pressure sampling system. As a comprehensive supplement to the different walls effect investigation, the effect of porous absorbing walls on the detonation propagation was also investigated via smoke foils and the high-frequency pressure sampling system. Results are as follows. In the critical deflagration stage, the leading shock and the closely following turbulent flame front travel at a speed of nearly half the CJ detonation velocity. In the preheated zone, a zonary flame arises from the overlapping part of the boundary layer and the pressure waves, and then merges into the mainstream flame. Among these wall boundary conditions, the rigid rough wall plays a most positive role in the formation of the zonary flame and thus accelerates the transition of the deflagration to detonation (DDT), which is due to the boost of the boundary layer growth and the pressure wave reflection. Even though the flexible wall is not conducive to the pressure wave reflection, it brings out a faster boundary layer growth, which plays a more significant role in the zonary flame formation. Additionally, the porous absorbing wall absorbs the transverse wave and yields detonation decay and velocity deficit. After the absorbing wall, below some low initial pressure conditions, no re-initiation occurs and the deflagration propagates in critical deflagration for a relatively long distance. Project supported by the National Natural Science Foundation of China (Grant No. 51206182).

  18. Electrochemical carbon dioxide concentrator: Math model

    NASA Technical Reports Server (NTRS)

    Marshall, R. D.; Schubert, F. H.; Carlson, J. N.

    1973-01-01

    A steady state computer simulation model of an Electrochemical Depolarized Carbon Dioxide Concentrator (EDC) has been developed. The mathematical model combines EDC heat and mass balance equations with empirical correlations derived from experimental data to describe EDC performance as a function of the operating parameters involved. The model is capable of accurately predicting performance over EDC operating ranges. Model simulation results agree with the experimental data obtained over the prediction range.

  19. Carbon accounting model for forests in Australia.

    PubMed

    Brack, C L; Richards, G P

    2002-01-01

    CAMFor (Carbon Accounting Model for Forests) is a sophisticated spreadsheet model developed to assist in carbon accounting and projection. This model can integrate information from a range of alternate sources including user input, default parameters and third party model outputs to calculate the carbon flows associated with a stand of trees and the wood products derived from harvests of that stand. Carbon is tracked in the following pools: * Biomass (stemwood, branches, bark, fine and coarse roots, leaves and twigs) * Soil (organic matter and inert charcoal) * Debris (coarse and fine litter, slash, below ground dead material) * Products (waste wood, sawn timber, paper, biofuel, reconstituted wood products). These pools can be tracked following thinning, fires and over multiple rotations. A sensitivity module has been developed to assist examination of the important assumptions and inputs. This paper reviews the functionality of CAMFor and reports on its use in a case study to explore the precision of estimates of carbon sequestration in a eucalypt plantation. Information on variability in unbiased models, measurement accuracy and other sources of error are combined in a sensitivity analysis to estimate the overall precision of sequestration estimates.

  20. Deep Soil: Quantifying and Modeling Subsurface Carbon

    NASA Astrophysics Data System (ADS)

    James, J. N.; Devine, W.; Harrison, R. B.

    2014-12-01

    Some soil carbon datasets that are spatially rich, such as the USDA Forest Service Inventory and Analysis National Program dataset, sample soil to only 20 cm (8 inches), despite evidence that substantial stores of soil C can be found deeper in the soil profile. The maximum extent of tree rooting is typically many meters deep and provides: direct exchange with the soil solution; redistribution of water from deep horizons toward the surface during times of drought; resources for active microbial communities in deep soil around root channels; and direct carbon inputs through exudates and root turnover. This study examined soil carbon to a depth of 2.5 meters across 22 soils in Pacific Northwest Douglas-fir forests. Excavations at 20 additional sites took place in summer 2014, greatly expanding the spatial coverage and extent of the data set. Forest floor and mineral soil bulk density samples were collected at depths of 0.1, 0.5, 1.0, 1.5, 2.0 and 2.5 meters. Pool estimates from systematic sampling depths shallower than 1.5 m yielded significantly smaller estimates than the total soil stock to 2.5 meters (P<0.01). On average, only 5% of soil C was found in the litter layer, 35% was found below 0.5 meter, and 21% was found below 1.0 meter. Due to the difficulty of excavating and measuring deep soil carbon, a series of nonlinear mixed effect models were fit to the data to predict deep soil carbon stocks given sampling to 1.0 meter. A model using an inverse polynomial function predicted soil carbon to 2.5 meters with -5.6% mean error. The largest errors occurred in Andisols with non-crystalline minerals, which can adsorb large quantities of carbon on mineral surfaces and preserve it from decomposition. An accurate spatial dataset of soil depth to bedrock would be extremely useful to constrain models of the vertical distribution of soil carbon. Efforts to represent carbon in spatial models would benefit from considering the vertical distribution of carbon in soil. Sampling

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

    PubMed

    Narin, B; Ozyörük, Y; Ulas, A

    2014-05-30

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

  2. Seismic modeling of carbonate outcrops

    SciTech Connect

    Stafleu, J.; Schlager, W.; Campbell, E.; Everts, A.J. )

    1993-09-01

    Traditionally, seismic modeling has concentrated on one-dimensional borehole modeling and two-dimensional forward modeling of basic structural-stratigraphic schemes, which are directly compared with real seismic data. Two-dimensional seismic models based on outcrop observations may aid in bridging the gap between the detail of the outcrop and the low resolution of seismic lines. Examples include the Dolomites (north Italy), the High Atlas (Morocco), the Vercors (southeast France) and the Last chance Canyon (New Mexico). The seismic models generally are constructed using the following procedure: (1) construction of a detailed lithological model based on direct outcrop observations; (2) division of the lithological model into lithostratigraphic units, using master bedding planes and important facies transitions as boundaries; (3) assignment of petrophysical properties of these lithostratigraphic units; (4) computation of time sections of reflectivity, using different modeling techniques; and (5) convolution with source wavelets of different frequencies. The lithological detail modeled in the case studies lead to some striking results, particularly the discovery of pseudo-unconformities. Pseudo-unconformities are unconformities in seismics, but correspond to rapid changes of dip and facies in outcrop. None of the outcrop geometries studied were correctly portrayed seismically at 25 Hz frequency. However, in some instances the true relationship would emerge gradually at frequencies of 50 to 100 Hz. These results demonstrate that detailed, outcrop-derived/seismic models can reveal what stratigraphic relationships and features are likely to be resolved under ideal or less ideal conditions, and what pitfalls may befall the interpreter of real seismic data.

  3. Next Generation Carbon-Nitrogen Dynamics Model

    NASA Astrophysics Data System (ADS)

    Xu, C.; Fisher, R. A.; Vrugt, J. A.; Wullschleger, S. D.; McDowell, N. G.

    2012-12-01

    Nitrogen is a key regulator of vegetation dynamics, soil carbon release, and terrestrial carbon cycles. Thus, to assess energy impacts on the global carbon cycle and future climates, it is critical that we have a mechanism-based and data-calibrated nitrogen model that simulates nitrogen limitation upon both above and belowground carbon dynamics. In this study, we developed a next generation nitrogen-carbon dynamic model within the NCAR Community Earth System Model (CESM). This next generation nitrogen-carbon dynamic model utilized 1) a mechanistic model of nitrogen limitation on photosynthesis with nitrogen trade-offs among light absorption, electron transport, carboxylation, respiration and storage; 2) an optimal leaf nitrogen model that links soil nitrogen availability and leaf nitrogen content; and 3) an ecosystem demography (ED) model that simulates the growth and light competition of tree cohorts and is currently coupled to CLM. Our three test cases with changes in CO2 concentration, growing temperature and radiation demonstrate the model's ability to predict the impact of altered environmental conditions on nitrogen allocations. Currently, we are testing the model against different datasets including soil fertilization and Free Air CO2 enrichment (FACE) experiments across different forest types. We expect that our calibrated model will considerably improve our understanding and predictability of vegetation-climate interactions.itrogen allocation model evaluations. The figure shows the scatter plots of predicted and measured Vc,max and Jmax scaled to 25 oC (i.e.,Vc,max25 and Jmax25) at elevated CO2 (570 ppm, test case one), reduced radiation in canopy (0.1-0.9 of the radiation at the top of canopy, test case two) and reduced growing temperature (15oC, test case three). The model is first calibrated using control data under ambient CO2 (370 ppm), radiation at the top of the canopy (621 μmol photon/m2/s), the normal growing temperature (30oC). The fitted model

  4. Modeling Mechanical Properties of Carbon Molecular Clusters and Carbon Nanostructural Materials

    DTIC Science & Technology

    2003-01-01

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP014264 TITLE: Modeling Mechanical Properties of Carbon Molecular...Clusters and Carbon Nanostructural Materials DISTRIBUTION: Approved for public release, distribution unlimited This paper is part of the following report...Res. Soc. Symp. Proc. Vol. 740 © 2003 Materials Research Society 17.2 Modeling mechanical properties of carbon molecular clusters and carbon

  5. Stochastic multiscale model for carbonate rocks.

    PubMed

    Biswal, B; Oren, P-E; Held, R J; Bakke, S; Hilfer, R

    2007-06-01

    A multiscale model for the diagenesis of carbonate rocks is proposed. It captures important pore scale characteristics of carbonate rocks: wide range of length scales in the pore diameters; large variability in the permeability; and strong dependence of the geometrical and transport parameters on the resolution. A pore scale microstructure of an oolithic dolostone with generic diagenetic features is successfully generated. The continuum representation of a reconstructed cubic sample of side length 2mm contains roughly 42 x 10{6} crystallites and pore diameters varying over many decades. Petrophysical parameters are computed on discretized samples of sizes up to 1000{3}. The model can be easily adapted to represent the multiscale microstructure of a wide variety of carbonate rocks.

  6. Modeling the dynamics of continental shelf carbon.

    PubMed

    Hofmann, Eileen E; Cahill, Bronwyn; Fennel, Katja; Friedrichs, Marjorie A M; Hyde, Kimberly; Lee, Cindy; Mannino, Antonio; Najjar, Raymond G; O'Reilly, John E; Wilkin, John; Xue, Jianhong

    2011-01-01

    Continental margin systems are important contributors to global nutrient and carbon budgets. Effort is needed to quantify this contribution and how it will be modified under changing patterns of climate and land use. Coupled models will be used to provide projections of future states of continental margin systems. Thus, it is appropriate to consider the limitations that impede the development of realistic models. Here, we provide an overview of the current state of modeling carbon cycling on continental margins as well as the processes and issues that provide the next challenges to such models. Our overview is done within the context of a coupled circulation-biogeochemical model developed for the northeastern North American continental shelf region. Particular choices of forcing and initial fields and process parameterizations are used to illustrate the consequences for simulated distributions, as revealed by comparisons to observations using quantitative statistical metrics.

  7. Soil Carbon and Nitrogen Cycle Modeling

    NASA Astrophysics Data System (ADS)

    Woo, D.; Chaoka, S.; Kumar, P.; Quijano, J. C.

    2012-12-01

    Second generation bioenergy crops, such as miscanthus (Miscantus × giganteus) and switchgrass (Panicum virgatum), are regarded as clean energy sources, and are an attractive option to mitigate the human-induced climate change. However, the global climate change and the expansion of perennial grass bioenergy crops have the power to alter the biogeochemical cycles in soil, especially, soil carbon storages, over long time scales. In order to develop a predictive understanding, this study develops a coupled hydrological-soil nutrient model to simulate soil carbon responses under different climate scenarios such as: (i) current weather condition, (ii) decreased precipitation by -15%, and (iii) increased temperature up to +3C for four different crops, namely miscanthus, switchgrass, maize, and natural prairie. We use Precision Agricultural Landscape Modeling System (PALMS), version 5.4.0, to capture biophysical and hydrological components coupled with a multilayer carbon and ¬nitrogen cycle model. We apply the model at daily time scale to the Energy Biosciences Institute study site, located in the University of Illinois Research Farms, in Urbana, Illinois. The atmospheric forcing used to run the model was generated stochastically from parameters obtained using available data recorded in Bondville Ameriflux Site. The model simulations are validated with observations of drainage and nitrate and ammonium concentrations recorded in drain tiles during 2011. The results of this study show (1) total soil carbon storage of miscanthus accumulates most noticeably due to the significant amount of aboveground plant carbon, and a relatively high carbon to nitrogen ratio and lignin content, which reduce the litter decomposition rate. Also, (2) the decreased precipitation contributes to the enhancement of total soil carbon storage and soil nitrogen concentration because of the reduced microbial biomass pool. However, (3) an opposite effect on the cycle is introduced by the increased

  8. MODELING MERCURY CONTROL WITH POWDERED ACTIVATED CARBON

    EPA Science Inventory

    The paper presents a mathematical model of total mercury removed from the flue gas at coal-fired plants equipped with powdered activated carbon (PAC) injection for Mercury control. The developed algorithms account for mercury removal by both existing equipment and an added PAC in...

  9. Modeling Carbon-Black/Polymer Composite Sensors

    PubMed Central

    Lei, Hua; Pitt, William G.; McGrath, Lucas K.; Ho, Clifford K.

    2012-01-01

    Conductive polymer composite sensors have shown great potential in identifying gaseous analytes. To more thoroughly understand the physical and chemical mechanisms of this type of sensor, a mathematical model was developed by combining two sub-models: a conductivity model and a thermodynamic model, which gives a relationship between the vapor concentration of analyte(s) and the change of the sensor signals. In this work, 64 chemiresistors representing eight different carbon concentrations (8–60 vol% carbon) were constructed by depositing thin films of a carbon-black/polyisobutylene composite onto concentric spiral platinum electrodes on a silicon chip. The responses of the sensors were measured in dry air and at various vapor pressures of toluene and trichloroethylene. Three parameters in the conductivity model were determined by fitting the experimental data. It was shown that by applying this model, the sensor responses can be adequately predicted for given vapor pressures; furthermore the analyte vapor concentrations can be estimated based on the sensor responses. This model will guide the improvement of the design and fabrication of conductive polymer composite sensors for detecting and identifying mixtures of organic vapors. PMID:22518071

  10. [Fire disaster due to deflagration of a propane gas-air mixture].

    PubMed

    Nadjem, Hadi; Vogt, Susanne; Simon, Karl-Heinz; Pollak, Stefan; Geisenberger, Dorothee; Kramer, Lena; Pircher, Rebecca; Perdekampl, Markus Große; Thierauf-Emberger, Annette

    2015-01-01

    On 26 Nov 2012, a serious fire occurred at Neustadt/Black Forest in which 14 persons in a sheltered workshop died and 10 other individuals were injured. The fire was caused by the unbridled escape of propane gas due to accidental disconnection of the screw fixing between a gas bottle and a catalytic heater. Deflagration of the propane gas-air mixture set the workshop facilities on fire. In spite of partly extensive burns the fatally injured victims could be rapidly identified. The results of the fire investigations at the scene and the autopsy findings are presented. Carboxyhemoglobin concentrations ranged between 8 and 56 % and signs of fire fume inhalation were present in all cases. Three victims had eardrum ruptures due to the sudden increase in air pressure during the deflagration.

  11. Counterpart of the Darrieus-Landau instability at a magnetic deflagration front

    NASA Astrophysics Data System (ADS)

    Jukimenko, O.; Modestov, M.; Dion, C. M.; Marklund, M.; Bychkov, V.

    2016-04-01

    The magnetic instability at the front of the spin avalanche in a crystal of molecular magnets is considered. This phenomenon reveals similar features with the Darrieus-Landau instability, inherent to classical combustion flame fronts. The instability growth rate and the cutoff wavelength are investigated with respect to the strength of the external magnetic field, both analytically in the limit of an infinitely thin front and numerically for finite-width fronts. The presence of quantum tunneling resonances is shown to increase the growth rate significantly, which may lead to a possible transition from deflagration to detonation regimes. Different orientations of the crystal easy axis are shown to exhibit opposite stability properties. In addition, we suggest experimental conditions that could evidence the instability and its influence on the magnetic deflagration velocity.

  12. The Darrieus-Landau instability in fast deflagration and laser ablation

    SciTech Connect

    Bychkov, Vitaly; Modestov, Mikhail; Marklund, Mattias

    2008-03-15

    The problem of the Darrieus-Landau instability at a discontinuous deflagration front in a compressible flow is solved. Numerous previous attempts to solve this problem suffered from the deficit of boundary conditions. Here, the required additional boundary condition is derived rigorously taking into account the internal structure of the front. The derived condition implies a constant mass flux at the front; it reduces to the classical Darrieus-Landau condition in the limit of an incompressible flow. It is demonstrated that in general the solution to the problem depends on the type of energy source in the flow. In the common case of a strongly localized source, compression effects make the Darrieus-Landau instability considerably weaker. Particularly, the instability growth rate is reduced for laser ablation in comparison to the classical incompressible case. The instability disappears completely in the Chapman-Jouguet regime of ultimately fast deflagration.

  13. 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.

  14. Evaluation of bursting capacity of containment vessels for hydrogen gas deflagrations and detonations

    SciTech Connect

    Raske, D. T.

    2000-05-17

    This paper describes a procedure to assess the bursting capacity of containment vessels used to transport radioactive materials. These vessels can be susceptible to an internal deflagration or detonation due to the ignition of hydrogen gas evolved by radiolysis. The maximum pressure capacity of a containment vessel can be established by determining the maximum primary vessel stresses at the maximum normal operating pressure and linearly extrapolating this pressure to stresses equal to the tensile yield or ultimate strength of the vessel's structural material. This leads to a maximum pressure to yield or burst the vessel. Comparison of data obtained with this procedure with experimental data or calculations that estimate the maximum deflagration or detonation pressure can provide a reasonable estimate of the capability of the containment vessel to safely contain the gases.

  15. Modeling the Carbon Dust Around Evolved Carbon Stars

    NASA Astrophysics Data System (ADS)

    Derby, John; Chiar, Jean E.; Povich, Matthew S.; Egan, Michael P.; Jones, Anthony P.; Tielens, Xander

    2015-01-01

    We used a 3D Monte Carlo radiative transfer code to model the dust emission around the evolved carbon star, IRAS 07134+1005. We assume the axially symmetric superwind dust shell model as defined by Meixner et al. 1997 (ApJ, 482, 897). IRAS 07134+1005 is a '21 mm' object and is, thus, a carbon-rich, low metallicity star with a large infrared excess. In order to determine the characteristics of the circumstellar carbonaceous dust, we use a set of optical constants for carbonaceous materials computed over a range of H/C and band-gaps. This is the first study to use a set of known hydrocarbon types that covered a range of hydrogen atom fractions and thus a span of aromatic rich (low hydrogen atom fraction) to aliphatic rich (high hydrogen atom fraction) hydrocarbon materials. Our observational data (photometry and spectroscopy from the literature) cover the wavelength range from 0.352-100 mm. We compare our model spectrum and simulated mid-IR images to the observed spectral energy distribution and images to draw conclusions about the nature of the hydrocarbon dust around IRAS 07134+1005.Support for this work came from National Science Foundation under Award No. AST-1322432, a PAARE Grant for the California-Arizona Minority Partnership for Astronomy Research and Education (CAMPARE) and AST-1359346, an REU Site Grant at the SETI Institute, and by the John Templeton Foundation through its New Frontiers in Astronomy and Cosmology, administered by Don York of the University of Chicago.

  16. Improving carbon model phenology using data assimilation

    NASA Astrophysics Data System (ADS)

    Exrayat, Jean-François; Smallman, T. Luke; Bloom, A. Anthony; Williams, Mathew

    2015-04-01

    Carbon cycle dynamics is significantly impacted by ecosystem phenology, leading to substantial seasonal and inter-annual variation in the global carbon balance. Representing inter-annual variability is key for predicting the response of the terrestrial ecosystem to climate change and disturbance. Existing terrestrial ecosystem models (TEMs) often struggle to accurately simulate observed inter-annual variability. TEMs often use different phenological models based on plant functional type (PFT) assumptions. Moreover, due to a high level of computational overhead in TEMs they are unable to take advantage of globally available datasets to calibrate their models. Here we describe the novel CARbon DAta MOdel fraMework (CARDAMOM) for data assimilation. CARDAMOM is used to calibrate the Data Assimilation Linked Ecosystem Carbon version 2 (DALEC2) model using Bayes' Theorem within a Metropolis Hastings - Markov Chain Monte Carlo (MH-MCMC). CARDAMOM provides a framework which combines knowledge from observations, such as remotely sensed LAI, and heuristic information in the form of Ecological and Dynamical Constraints (EDCs). The EDCs are representative of real world processes and constrain parameter interdependencies and constrain carbon dynamics. We used CARDAMOM to bring together globally spanning datasets of LAI and the DALEC2 and DALEC2-GSI models. These analyses allow us to investigate the sensitivity ecosystem processes to the representation of phenology. DALEC2 uses an analytically solved model of phenology which is invariant between years. In contrast DALEC2-GSI uses a growing season index (GSI) calculated as a function of temperature, vapour pressure deficit (VPD) and photoperiod to calculate bud-burst and leaf senescence, allowing the model to simulate inter-annual variability in response to climate. Neither model makes any PFT assumptions about the phenological controls of a given ecosystem, allowing the data alone to determine the impact of the meteorological

  17. Deflagration Behavior of PBXN-109 and Composition B at High Pressures and Temperatures

    SciTech Connect

    Maienschein, J L; Wardell, J F

    2002-03-11

    We report deflagration rate measurements on PBXN-109 (RDWAVHTPB) and Composition B (RXDTTNThrvax) at pressures from 1,500-100,000 psi (10-700 MPa). This was done with the LLNL High Pressure Strand Burner, in which embedded wires are used to record the time-of-arrival of the burn front in the cylindrical sample as a function of pressure. The propellant samples are 6.4 mm in diameter and 6.4 mm long, with burn wires inserted between samples. Burning on the cylindrical surface is inhibited with an epoxy or polyurethane 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 report deflagration results for PBXN-109 as received, and also after it has been damaged by heating. The burn behavior of pristine PBXN-109 is very regular, and exhibits a reduction in pressure exponent from 1.32 to 0.85 at pressures above 20,000 psi (135 MPa). When PBXN-109 is thermally damaged by heating to 170-180 C, the deflagration rate is increased by more than a factor of 10. This appears to be a physical effect, as the faster burning may be explained by an increase in surface area. Our results with Composition B show an apparent 2nd order pressure dependence for initial deflagration, followed by deconsolidation and onset of very rapid and erratic burning. The deconsolidation may be the result of the TNT melting as heat flows into the sample.

  18. Deflagration-induced pressure and temperature transients in a waste storage facility

    SciTech Connect

    Ades, M.J.; Polizzi, L.M.

    1995-12-31

    This paper presents a study for a facility where a deflagration of flammable vapors takes place, and the generated pressure and temperature transients are analyzed to evaluate the pressure differentials induced on the various components of the facility to assesses their structural integrity. The temperature profiles are also analyzed to assess the qualification of the equipment that is required to operate during and after such an accident.

  19. A report on the deflagration-to-detonation transition (DDT) in the high explosive LX-04

    SciTech Connect

    Hare, D E; Forbes, J W; Garcia, F; Granholm, R H; Tarver, C M; Vandersall, K S; Sandusky, H W

    2004-06-30

    The deflagration-to-detonation transition (DDT) was investigated for 1.874 g/cc (98.8 % of theoretical maximum density) LX-04 in moderate confinement (4340 steel tube at R{sub C} 32 with 1.020 inch inside diameter and 0.235 inch thick wall) at both ambient initial temperature (roughly 20 C) and at an initial temperature of 186 C. No transition to detonation was observed in a 295 mm column length for either case.

  20. Modeling of carbon nanotubes and carbon nanotube-polymer composites

    NASA Astrophysics Data System (ADS)

    Pal, G.; Kumar, S.

    2016-01-01

    In order to meet stringent environmental, safety and performance requirements from respective regulatory bodies, various technology-based industries are promoting the use of advanced carbon nanotube (CNT) reinforced lightweight and high strength polymer nanocomposites (PNCs) as a substitute to conventional materials both in structural and non-structural applications. The superior mechanical properties of PNCs made up of CNTs or bundles of CNTs can be attributed to the interfacial interaction between the CNTs and matrix, CNT's morphologies and to their uniform dispersion in the matrix. In PNCs, CNTs physically bond with polymeric matrix at a level where the assumption of continuum level interactions is not applicable. Modeling and prediction of mechanical response and failure behavior of CNTs and their composites becomes a complex task and is dealt with the help of up-scale modeling strategies involving multiple spatial and temporal scales in hierarchical or concurrent manner. Firstly, the article offers an insight into various modeling techniques in studying the mechanical response of CNTs; namely, equivalent continuum approach, quasi-continuum approach and molecular dynamics (MD) simulation. In the subsequent steps, these approaches are combined with analytical and numerical micromechanics models in a multiscale framework to predict the average macroscopic response of PNCs. The review also discusses the implementation aspects of these computational approaches, their current status and associated challenges with a future outlook.

  1. Multiphase Sequestration Geochemistry: Model for Mineral Carbonation

    SciTech Connect

    White, Mark D.; McGrail, B. Peter; Schaef, Herbert T.; Hu, Jian Z.; Hoyt, David W.; Felmy, Andrew R.; Rosso, Kevin M.; Wurstner, Signe K.

    2011-04-01

    Carbonation of formation minerals converts low viscosity supercritical CO2 injected into deep saline reservoirs for geologic sequestration into an immobile form. Until recently the scientific focus of mineralization reactions with reservoir rocks has been those that follow an aqueous-mediated dissolution/precipitation mechanism, driven by the sharp reduction in pH that occurs with CO2 partitioning into the aqueous phase. For sedimentary basin formations the kinetics of aqueous-mediated dissolution/precipitation reactions are sufficiently slow to make the role of mineralization trapping insignificant over a century period. For basaltic saline formations aqueous-phase mineralization progresses at a substantially higher rate, making the role of mineralization trapping significant, if not dominant, over a century period. The overlooked mineralization reactions for both sedimentary and basaltic saline formations, however, are those that occur in liquid or supercritical CO2 phase; where, dissolved water appears to play a catalyst role in the formation of carbonate minerals. A model is proposed in this paper that describes mineral carbonation over sequestration reservoir conditions ranging from dissolved CO2 in aqueous brine to dissolved water in supercritical CO2. The model theory is based on a review of recent experiments directed at understanding the role of water in mineral carbonation reactions of interest in geologic sequestration systems occurring under low water contents.

  2. Different stages of flame acceleration from slow burning to Chapman-Jouguet deflagration.

    PubMed

    Valiev, Damir M; Bychkov, Vitaly; Akkerman, V'yacheslav; Eriksson, Lars-Erik

    2009-09-01

    Numerical simulations of spontaneous flame acceleration are performed within the problem of flame transition to detonation in two-dimensional channels. The acceleration is studied in the extremely wide range of flame front velocity changing by 3 orders of magnitude during the process. Flame accelerates from realistically small initial velocity (with Mach number about 10(-3)) to supersonic speed in the reference frame of the tube walls. It is shown that flame acceleration undergoes three distinctive stages: (1) initial exponential acceleration in the quasi-isobaric regime, (2) almost linear increase in the flame speed to supersonic values, and (3) saturation to a stationary high-speed deflagration velocity. The saturation velocity of deflagration may be correlated with the Chapman-Jouguet deflagration speed. The acceleration develops according to the Shelkin mechanism. Results on the exponential flame acceleration agree well with previous theoretical and numerical studies. The saturation velocity is in line with previous experimental results. Transition of flame acceleration regime from the exponential to the linear one, and then to the constant velocity, happens because of gas compression both ahead and behind the flame front.

  3. Impact of suspended coal dusts on methane deflagration properties in a large-scale straight duct.

    PubMed

    Ajrash, Mohammed J; Zanganeh, Jafar; Moghtaderi, Behdad

    2017-09-15

    Knowledge about flame deflagrations in mixtures of methane and diluted coal dust assists in the prediction of fires and explosions, and in the design of adequate protective systems. This vital lack of information on the role of hybrid mixtures (methane/coal dust) is covered in this work by employing a novel Large-Scale Straight Duct (LSSD) designed specifically for this purpose. The hybrid fuel was injected along the first 8m of the 30m long LSSD. The results revealed that a 30gm(-3) coal dust concentration boosted the flame travel distance, from 6.5m to 28.5m, and increased the over pressure rise profile to 0.135bar. The over pressure rise (OPR), pressure wave velocity, flame intensity and the flame velocity were significantly boosted along the LSSD in the presence of 10gm(-3) or 30gm(-3) coal dust concentrations in the methane flame deflagrations. Finally, the high speed camera showed that the presence of the coal dust enhanced the turbulence in the front flame. Consequently, the pressure wave and flame velocities were both increased when a 10gm(-3) coal dust concentration coexisted with a 9.5% methane concentration in the deflagration. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Soil fauna: key to new carbon models

    NASA Astrophysics Data System (ADS)

    Filser, Juliane; Faber, Jack H.; Tiunov, Alexei V.; Brussaard, Lijbert; Frouz, Jan; De Deyn, Gerlinde; Uvarov, Alexei V.; Berg, Matty P.; Lavelle, Patrick; Loreau, Michel; Wall, Diana H.; Querner, Pascal; Eijsackers, Herman; José Jiménez, Juan

    2016-11-01

    Soil organic matter (SOM) is key to maintaining soil fertility, mitigating climate change, combatting land degradation, and conserving above- and below-ground biodiversity and associated soil processes and ecosystem services. In order to derive management options for maintaining these essential services provided by soils, policy makers depend on robust, predictive models identifying key drivers of SOM dynamics. Existing SOM models and suggested guidelines for future SOM modelling are defined mostly in terms of plant residue quality and input and microbial decomposition, overlooking the significant regulation provided by soil fauna. The fauna controls almost any aspect of organic matter turnover, foremost by regulating the activity and functional composition of soil microorganisms and their physical-chemical connectivity with soil organic matter. We demonstrate a very strong impact of soil animals on carbon turnover, increasing or decreasing it by several dozen percent, sometimes even turning C sinks into C sources or vice versa. This is demonstrated not only for earthworms and other larger invertebrates but also for smaller fauna such as Collembola. We suggest that inclusion of soil animal activities (plant residue consumption and bioturbation altering the formation, depth, hydraulic properties and physical heterogeneity of soils) can fundamentally affect the predictive outcome of SOM models. Understanding direct and indirect impacts of soil fauna on nutrient availability, carbon sequestration, greenhouse gas emissions and plant growth is key to the understanding of SOM dynamics in the context of global carbon cycling models. We argue that explicit consideration of soil fauna is essential to make realistic modelling predictions on SOM dynamics and to detect expected non-linear responses of SOM dynamics to global change. We present a decision framework, to be further developed through the activities of KEYSOM, a European COST Action, for when mechanistic SOM models

  5. BOREAS TE-19 Ecosystem Carbon Balance Model

    NASA Technical Reports Server (NTRS)

    Hall, Forrest G. (Editor); Papagno, Andrea (Editor); Frolking, Steve

    2000-01-01

    The BOREAS TE-19 team developed a model called the Spruce and Moss Model (SPAM) designed to simulate the daily carbon balance of a black spruce/moss boreal forest ecosystem. It is driven by daily weather conditions, and consists of four components: (1) soil climate, (2) tree photosynthesis and respiration, (3) moss photosynthesis and respiration, and (4) litter decomposition and associated heterotrophic respiration. The model simulates tree gross and net photosynthesis, wood respiration, live root respiration, moss gross and net photosynthesis, and heterotrophic respiration (decomposition of root litter, young needle and moss litter, and humus). These values can be combined to generate predictions of total site net ecosystem exchange of carbon (NEE), total soil dark respiration (live roots + heterotrophs + live moss), spruce and moss net productivity, and net carbon accumulation in the soil. To date, simulations have been of the BOREAS NSA-OBS and SSA-OBS tower sites, from 1968-95 (except 1990-93). The files include source code and sample input and output files in ASCII format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

  6. Modeling the carbon cycle in Lake Matano.

    PubMed

    Kuntz, L B; Laakso, T A; Schrag, D P; Crowe, S A

    2015-09-01

    Lake Matano, Indonesia, is a stratified anoxic lake with iron-rich waters that has been used as an analogue for the Archean and early Proterozoic oceans. Past studies of Lake Matano report large amounts of methane production, with as much as 80% of primary production degraded via methanogenesis. Low δ(13)C values of DIC in the lake are difficult to reconcile with this notion, as fractionation during methanogenesis produces isotopically heavy CO2. To help reconcile these observations, we develop a box model of the carbon cycle in ferruginous Lake Matano, Indonesia, that satisfies the constraints of CH4 and DIC isotopic profiles, sediment composition, and alkalinity. We estimate methane fluxes smaller than originally proposed, with about 9% of organic carbon export to the deep waters degraded via methanogenesis. In addition, despite the abundance of Fe within the waters, anoxic ferric iron respiration of organic matter degrades <3% of organic carbon export, leaving methanogenesis as the largest contributor to anaerobic organic matter remineralization, while indicating a relatively minor role for iron as an electron acceptor. As the majority of carbon exported is buried in the sediments, we suggest that the role of methane in the Archean and early Proterozoic oceans is less significant than presumed in other studies.

  7. An isopycnic ocean carbon cycle model

    NASA Astrophysics Data System (ADS)

    Assmann, K. M.; Bentsen, M.; Segschneider, J.; Heinze, C.

    2010-02-01

    The carbon cycle is a major forcing component in the global climate system. Modelling studies, aiming to explain recent and past climatic changes and to project future ones, increasingly include the interaction between the physical and biogeochemical systems. Their ocean components are generally z-coordinate models that are conceptually easy to use but that employ a vertical coordinate that is alien to the real ocean structure. Here, we present first results from a newly-developed isopycnic carbon cycle model and demonstrate the viability of using an isopycnic physical component for this purpose. As expected, the model represents well the interior ocean transport of biogeochemical tracers and produces realistic tracer distributions. Difficulties in employing a purely isopycnic coordinate lie mainly in the treatment of the surface boundary layer which is often represented by a bulk mixed layer. The most significant adjustments of the ocean biogeochemistry model HAMOCC, for use with an isopycnic coordinate, were in the representation of upper ocean biological production. We present a series of sensitivity studies exploring the effect of changes in biogeochemical and physical processes on export production and nutrient distribution. Apart from giving us pointers for further model development, they highlight the importance of preformed nutrient distributions in the Southern Ocean for global nutrient distributions. The sensitivity studies show that iron limitation for biological particle production, the treatment of light penetration for biological production, and the role of diapycnal mixing result in significant changes of nutrient distributions and liniting factors of biological production.

  8. An isopycnic ocean carbon cycle model

    NASA Astrophysics Data System (ADS)

    Assmann, K. M.; Bentsen, M.; Segschneider, J.; Heinze, C.

    2009-07-01

    The carbon cycle is a major forcing component in the global climate system. Modelling studies aiming to explain recent and past climatic changes and to project future ones thus increasingly include the interaction between the physical and biogeochemical systems. Their ocean components are generally z-coordinate models that are conceptually easy to use but that employ a vertical coordinate that is alien to the real ocean structure. Here we present first results from a newly developed isopycnic carbon cycle model and demonstrate the viability of using an isopycnic physical component for this purpose. As expected, the model represents interior ocean transport of biogeochemical tracers well and produces realistic tracer distributions. Difficulties in employing a purely isopycnic coordinate lie mainly in the treatment of the surface boundary layer which is often represented by a bulk mixed layer. The most significant adjustments of the biogeochemical code for use with an isopycnic coordinate are in the representation of upper ocean biological production. We present a series of sensitivity studies exploring the effect of changes in biogeochemical and physical processes on export production and nutrient distribution. Apart from giving us pointers for further model development, they highlight the importance of preformed nutrient distributions in the Southern Ocean for global nutrient distributions. Use of a prognostic slab atmosphere allows us to assess the effect of the changes in export production on global ocean carbon uptake and atmospheric CO2 levels. Sensitivity studies show that iron limitation for biological particle production, the treatment of light penetration for biological production, and the role of diapycnal mixing result in significant changes of modelled air-sea fluxes and nutrient distributions.

  9. Modeling flow of mineralized carbon dioxide slurry

    SciTech Connect

    Penner, Larry R.; Dahlin, David C.; Gerdemann, Stephen J.; Saha, K.K.

    2005-04-01

    Direct mineral carbonation was investigated at Albany Research Center (US DOE) as a means to sequester carbon dioxide into stable mineral matrices. Although previous work focused on treating Mg-containing minerals in conventional autoclaves, recent work has been done using pipeline-reactor technology for the high-temperature, high-pressure (HTHP) reaction of the minerals in aqueous/CO2 media. Sequestration of CO2 using above-ground reactors may be uneconomical, but the technology may also be applicable in geological sequestration of CO2. Progress is described in using a prototype HTHP flow-loop reactor to model flow in the dynamic three-phase system to help determine the pumping-energy requirements to optimize reactivity.

  10. Modeling soil organic carbon stocks at national scales - systematic validation of models and carbon input estimations

    NASA Astrophysics Data System (ADS)

    Riggers, Catharina; Dechow, Rene; Poeplau, Christopher; Don, Axel

    2017-04-01

    Soil organic carbon (SOC) content of arable soils is an important factor which not only influences soil fertility but also formation of greenhouse gases. SOC models try to simulate and predict the changes in carbon content in soils depending on parameters like temperature, precipitation, clay content and also carbon (C) input. For future climate mitigation strategies, it is necessary to minimize uncertainty while predicting trends in soil carbon stocks. The aim of our study is to conduct model based estimations of trends of local, regional and national SOC contents on German grassland and arable soils and to quantify scale dependent uncertainties arising from input data uncertainty, parameter uncertainty and model structural uncertainty. Preanalysis of SOC models showed that a large fraction of uncertainty in SOC trends is related to C-input estimates from crop residues and organic fertilisation. Therefore, we are going to combine six different SOC models (RothC, C-Tool, Yasso07, Century, ICBM/2, CCB) with five different approaches to estimate carbon input (Bolinder, CCB, C-Tool, ICBM, IPCC). This set of model combinations will be evaluated with data from German permanent soil monitoring sites and long term field experiments. With the best model combinations, we will conduct parameter estimations to calibrate the models for Germany. Finally, the calibrated model ensemble will be combined with data from the German agricultural soil inventory which sampled agricultural soils in Germany in an 8x8 km2 grid following standardized protocols to quantify German SOC trends and associated uncertainties by Monte Carlo methods.

  11. Existing Soil Carbon Models Do Not Apply to Forested Wetlands.

    SciTech Connect

    Trettin, C C; Song, B; Jurgensen, M F; Li, C

    2001-09-14

    Evaluation of 12 widely used soil carbon models to determine applicability to wetland ecosystems. For any land area that includes wetlands, none of the individual models would produce reasonable simulations based on soil processes. Study presents a wetland soil carbon model framework based on desired attributes, the DNDC model and components of the CENTURY and WMEM models. Proposed synthesis would be appropriate when considering soil carbon dynamics at multiple spatial scales and where the land area considered includes both wetland and upland ecosystems.

  12. Dynamic energy models and carbon mitigation policies

    NASA Astrophysics Data System (ADS)

    Tilley, Luke A.

    In this dissertation I examine a specific class of energy models and their implications for carbon mitigation policies. The class of models includes a production function capable of reproducing the empirically observed phenomenon of short run rigidity of energy use in response to energy price changes and long run exibility of energy use in response to energy price changes. I use a theoretical model, parameterized using empirical data, to simulate economic performance under several tax regimes where taxes are levied on capital income, investment, and energy. I also investigate transitions from one tax regime to another. I find that energy taxes intended to reduce energy use can successfully achieve those goals with minimal or even positive impacts on macroeconomic performance. But the transition paths to new steady states are lengthy, making political commitment to such policies very challenging.

  13. Silicon Carbide Derived Carbons: Experiments and Modeling

    SciTech Connect

    Kertesz, Miklos

    2011-02-28

    The main results of the computational modeling was: 1. Development of a new genealogical algorithm to generate vacancy clusters in diamond starting from monovacancies combined with energy criteria based on TBDFT energetics. The method revealed that for smaller vacancy clusters the energetically optimal shapes are compact but for larger sizes they tend to show graphitized regions. In fact smaller clusters of the size as small as 12 already show signatures of this graphitization. The modeling gives firm basis for the slit-pore modeling of porous carbon materials and explains some of their properties. 2. We discovered small vacancy clusters and their physical characteristics that can be used to spectroscopically identify them. 3. We found low barrier pathways for vacancy migration in diamond-like materials by obtaining for the first time optimized reaction pathways.

  14. Translating climate model implications on carbon removal into policy action

    NASA Astrophysics Data System (ADS)

    Deich, N.

    2016-12-01

    Leading IPCC integrated assessment models (IAMs) show a major role for carbon removal solutions in meeting climate goals set in the Paris Agreement last December at COP21. However, the assumptions underlying these modeling scenarios have not been vetted in great depth with scientific investigation and technology demonstration and deployment. Furthermore, policymakers in the U.S. have only started to turn attention to carbon removal research, development, and demonstration (RD&D). This presentation will explore the options for a portfolio of carbon removal solutions, as well as where the current state of policy support for carbon removal RD&D is in the U.S. Solutions in scope of this presentation will include terrestrial carbon removal approaches (including ecosystem restoration, soil carbon sequestration, biochar), blue carbon marine restoration approaches, and industrial carbon removal approaches (including bioenergy with carbon capture and storage, direct air capture and storage, and enhanced mineral weathering).

  15. Models for generation of carbonate cycles

    NASA Astrophysics Data System (ADS)

    Read, J. F.; Grotzinger, J. P.; Bova, J. A.; Koerschner, W. F.

    1986-02-01

    Computer modeling provides a quantitative approach to a better understanding of actual carbonate cyclic sequences. To model carbonate cycles, we can use water-depth-dependent sedimentation rate for each facies, an initial lag time, linear subsidence, tidal range, and period and amplitude of sea-level oscillation about a horizontal datum. Tidal-flat-capped cycles up to a few metres thick result from low-amplitude sea-level oscillation of a few metres and short lag times. Nonerosive caps reflect sea-level lowering being balanced by subsidence, and basinward migration of the shoreline not exceeding tidal-flat progradation rate. When higher amplitude sea-level oscillations occur, the tidal flats are abandoned on the inner shelf during sea-level fall, because seaward movement of the strandline outpaces progradation rate of flats. Increased amplitude also results in sea level falling faster than flats can subside, so that disconformities with thick vadose profiles develop. High-amplitude (100 m or more) oscillations result in incipient drowning of platforms and juxtaposition of deep-water facies against shallow-water facies within cycles. Sea level falls before the platform can build to the sea-level highstand, and the shoreline migrates much more rapidly than tidal flats can prograde; thus, cycles are disconformity-bounded and lack tidal-flat caps.

  16. On the mechanisms and criteria of deflagration-to-detonation transition in gases

    NASA Astrophysics Data System (ADS)

    Kiverin, A. D.; Yakovenko, I. S.; Ivanov, M. F.

    2016-10-01

    The origins of different supersonic combustion regimes in channels are discussed. It is shown that the evolution of supersonic flames including the formation of quasi-steady supersonic flames, transition to detonation directly at the flame front and auto-ignition inside the kernels at some distance ahead the flame front are fully determined by the same gasdynamical effects and peculiarities of combustion kinetics. Three basic criteria are formulated aiming to establish correlation between the initial state of the gaseous combustible mixture and the possibility of deflagration-to-detonation transition. Formulated criteria are in an adequate agreement with the data on combustion of hydrogen-based mixtures.

  17. Deflagration to detonation transition in mechanoactivated mixtures of ammonium perchlorate with aluminum

    NASA Astrophysics Data System (ADS)

    Shevchenko, A. A.; Dolgoborodov, A. Yu; Kirilenko, V. G.; Brazhnikov, M. A.

    2016-11-01

    Deflagration-to-detonation transition (DDT) in aluminum-ammonium perchlorate (Al/AP) loose-packed charges (80% porosity) has been studied. The charges were manufactured from preliminary mechanoactivated mixtures. The mixtures placed in steel tubes 10 mm in diameter were ignited by Nichrome wire. It was found that it is possible to distinguish three parts corresponding to different stages of DDT process development. Steady-state detonation velocity reached the level of 2500 m/s at the distance of 90 mm from the ignition point.

  18. Deflagration-to-detonation transition in inertial-confinement-fusion baseline targets.

    PubMed

    Gauthier, P; Chaland, F; Masse, L

    2004-11-01

    By means of highly resolved one-dimensional hydrodynamics simulations, we provide an understanding of the burn process in inertial-confinement-fusion baseline targets. The cornerstone of the phenomenology of propagating burn in such laser-driven capsules is shown to be the transition from a slow unsteady reaction-diffusion regime of thermonuclear combustion (some sort of deflagration) to a fast detonative one. Remarkably, detonation initiation follows the slowing down of a shockless supersonic reaction wave driven by energy redeposition from the fusion products themselves. Such a route to detonation is specific to fusion plasmas.

  19. Deflagration-to-detonation transition in inertial-confinement-fusion baseline targets

    SciTech Connect

    Gauthier, P.; Chaland, F.; Masse, L.

    2004-11-01

    By means of highly resolved one-dimensional hydrodynamics simulations, we provide an understanding of the burn process in inertial-confinement-fusion baseline targets. The cornerstone of the phenomenology of propagating burn in such laser-driven capsules is shown to be the transition from a slow unsteady reaction-diffusion regime of thermonuclear combustion (some sort of deflagration) to a fast detonative one. Remarkably, detonation initiation follows the slowing down of a shockless supersonic reaction wave driven by energy redeposition from the fusion products themselves. Such a route to detonation is specific to fusion plasmas.

  20. Visualization and Measurement of the Deflagration of JA2 Bonded to Various Metal Foils

    DTIC Science & Technology

    2016-01-01

    on one side with an aluminum or copper foil, and their deflagration was videographically recorded. Foil thicknesses ranged from 1 to 3 mil. The data...Approach 2 2.1 Test-Article Fabrication 2 2.2 Measurement Techniques 3 3. Results 4 3.1 Aluminum Foils 4 3.2 Copper Foils 6 4. Conclusions 9 5...configured with a 1-mil-thick aluminum (Al) foil bounding one side.7 Giving a preliminary indication that the validity of the CFD Approved for

  1. Deflagration Rates and Molecular Bonding Trends of Statically Compressed Secondary Explosives

    SciTech Connect

    Zaug, J M; Foltz, M F; Hart, E

    2010-03-09

    We discuss our measurements of the chemical reaction propagation rate as a function of pressure. Materials investigated have included CL-20, HMX, TATB, and RDX crystalline powders, LX-04, Comp B, and nitromethane. The anomalous correspondence between crystal structure, including in some instances isostructural phase transitions, on pressure-dependant RPRs of TATB, HMX, Nitromethane, CL-20, and PETN have been elucidated using micro-IR and -Raman spectroscopies. Here we specifically highlight pressure-dependent physicochemical mechanisms affecting the deflagration rate of nitromethane and epsilon-CL-20. We find that pressure induced splitting of symmetric stretch NO{sub 2} vibrations can signal the onset of increasingly more rapid combustion reactions.

  2. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, Herbert O.; McComas, David J.

    1997-01-01

    Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the optical emission produced thereby is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives.

  3. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, H.O.; McComas, D.J.

    1999-06-15

    Apparatus and method are disclosed for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the ultraviolet emission produced thereby, is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives. 4 figs.

  4. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, Herbert O.; McComas, David J.

    1999-01-01

    Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the ultraviolet emission produced thereby, is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives.

  5. Self-deflagration rates of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). [burning tate, thermal stability

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

    The thermal stability and resistance to impact was investigated for the ingredient TABA. Particular attention was given to determining the use of TABA as a possible alternative ingredient or substitute for HMX in explosives and high energy propellants. The burn rate of TABA was investigated as a function of pressure. It was concluded that the self deflagration rate of TABA is an order of magnitude lower than HMX over the range 2000-15000 psi; TABA will not sustain self deflagration at low pressures (less than or equal to 1500 psi) in the sample configuration and apparatus used.

  6. Self-deflagration rates of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). [burning tate, thermal stability

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

    The thermal stability and resistance to impact was investigated for the ingredient TABA. Particular attention was given to determining the use of TABA as a possible alternative ingredient or substitute for HMX in explosives and high energy propellants. The burn rate of TABA was investigated as a function of pressure. It was concluded that the self deflagration rate of TABA is an order of magnitude lower than HMX over the range 2000-15000 psi; TABA will not sustain self deflagration at low pressures (less than or equal to 1500 psi) in the sample configuration and apparatus used.

  7. Modelling feedback mechanisms in the carbon cycle: balancing the carbon budget

    NASA Astrophysics Data System (ADS)

    Rotmans, J.; den Elzen, M. G. J.

    1993-09-01

    Within the carbon cycle feedback, mechanisms that amplify or dampen the exchange of carbon dioxide between the different reservoirs to enhance concentrations of carbon dioxide and increase temperature from anthropogenic perturbations, play a crucial rôle. Quite a lot of these feedbacks are known, but most of them only potentially. This article evaluates the role of a number of these feedback processes within the carbon cycle. In order to assess their impact, some terrestrial feedbacks have been built into a coupled carbon cycle and climate model, as part of the integrated climate assessment model IMAGE. A number of simulation experiments have been performed with this coupled carbon cycle/climate model to compare historical atmospheric concentration values of carbon dioxide with simulated values. Also global biospheric and oceanic carbon fluxes were validated against other modelling estimates. Based on the assumptions of the IPCC's 1990 Business-as-Usual (BaU-1990) scenario, future projections of the carbon dioxide concentration have been made. A key principle in this is that we have used the modelled feedbacks in order to balance the past and present carbon budget. For atmospheric carbon dioxide, this results in substantially lower projections than the IPCC-estimates: the difference in 2100 is approximately 16% from the 1990 level. Furthermore, the IPCC's 'best guess' or 'central estimate' value of the CO2 concentration in 2100 falls outside the uncertainty range estimated with our balanced modelling approach. Sensitivity experiments with the model have been performed to quantify to what extent the terrestrial feedback processes and oceanic fluxes influence the global carbon balance in the model. It is shown that a historical and present carbon balance can be obtained in many different ways, resulting in different biospheric fluxes and thus in considerably different atmospheric CO2 projections.

  8. First principles model of carbonate compaction creep

    NASA Astrophysics Data System (ADS)

    Keszthelyi, Daniel; Dysthe, Dag Kristian; Jamtveit, Bjørn

    2016-05-01

    Rocks under compressional stress conditions are subject to long-term creep deformation. From first principles we develop a simple micromechanical model of creep in rocks under compressional stress that combines microscopic fracturing and pressure solution. This model was then upscaled by a statistical mechanical approach to predict strain rate at core and reservoir scale. The model uses no fitting parameter and has few input parameters: effective stress, temperature, water saturation porosity, and material parameters. Material parameters are porosity, pore size distribution, Young's modulus, interfacial energy of wet calcite, the dissolution, and precipitation rates of calcite, and the diffusion rate of calcium carbonate, all of which are independently measurable without performing any type of deformation or creep test. Existing long-term creep experiments were used to test the model which successfully predicts the magnitude of the resulting strain rate under very different effective stress, temperature, and water saturation conditions. The model was used to predict the observed compaction of a producing chalk reservoir.

  9. The AEM and regional carbonate aquifer modeling.

    PubMed

    Johnson, Cady; Mifflin, Martin

    2006-01-01

    The analytic element method (AEM) has been applied to a 15,000-km2 area of the Paleozoic carbonate rock terrain of Nevada. The focus is the Muddy River springs area, which receives 1.44 m3/s (51 ft3/s) of regionally derived ground water, and forms the Muddy River. The study was undertaken early in 2000 to support the development of a cooling water supply for a gas-fired generation facility 20 km south of the Muddy River springs. The primary objectives of the AEM modeling were to establish a better understanding of regional fluxes and boundary conditions and to provide a framework for examination of more local transient effects using MODFLOW. Geochemical evidence available in 2000 suggested two separate flow fields, one in the north discharging at the springs, and a southern area of small hydraulic gradients. To be conservative, however, hydraulic continuity between the two areas was maintained in the 2000 AEM model. Using new monitoring well data collected in the south, and analyses confirming that seasonal pumping effects in the north are not propagated to the south, a later AEM model that included a barrier calibrated with relative ease. The analytic element model was well suited for simulating an area larger than the immediate area of interest, was easy to modify as more information became available, and facilitated the stepwise development of multiple conceptual models of the site.

  10. Distribution of calcium carbonate in desert soils: A model

    SciTech Connect

    Mayer, L.; McFadden, L.D.; Harden, J.W.

    1988-04-01

    A model that describes the distribution of calcium carbonate in desert soils as a function of dust flux, time, climate, and other soil-forming factors shows which factors most strongly influence the accumulation of carbonate and can be used to evaluate carbonate-based soil age estimates or paleoclimatic reconstructions. Models for late Holocene soils have produced carbonate distributions that are very similar to those of well-dated soils in New Mexico and southern California. These results suggest that (1) present climate is a fair representation of late Holocene climate, (2) carbonate dust flux can be approximated by its Holocene rate, and (3) changes in climate and/or dust flux at the end of the Pleistocene effected profound and complex changes in soil carbonate distributions. Both higher carbonate dust flux and greater effective precipitation are required during the latest Pleistocene-early Holocene to explain carbonate distributions in latest Pleistocene soils. 21 refs., 4 figs., 1 tab.

  11. First Principles Atomistic Model for Carbon-Doped Boron Suboxide

    DTIC Science & Technology

    2014-09-01

    First Principles Atomistic Model for Carbon-Doped Boron Suboxide by Amol B Rahane, Jennifer S Dunn, and Vijay Kumar ARL-TR-7106...2014 First Principles Atomistic Model for Carbon-Doped Boron Suboxide Amol B Rahane Dr Vijay Kumar Foundation 1969 Sector 4 Gurgaon...Final 3. DATES COVERED (From - To) October 2013–July 2014 4. TITLE AND SUBTITLE First Principles Atomistic Model for Carbon-Doped Boron Suboxide

  12. Approximate model for laser ablation of carbon

    NASA Astrophysics Data System (ADS)

    Shusser, Michael

    2010-08-01

    The paper presents an approximate kinetic theory model of ablation of carbon by a nanosecond laser pulse. The model approximates the process as sublimation and combines conduction heat transfer in the target with the gas dynamics of the ablated plume which are coupled through the boundary conditions at the interface. The ablated mass flux and the temperature of the ablating material are obtained from the assumption that the ablation rate is restricted by the kinetic theory limitation on the maximum mass flux that can be attained in a phase-change process. To account for non-uniform distribution of the laser intensity while keeping the calculation simple the quasi-one-dimensional approximation is used in both gas and solid phases. The results are compared with the predictions of the exact axisymmetric model that uses the conservation relations at the interface derived from the momentum solution of the Boltzmann equation for arbitrary strong evaporation. It is seen that the simpler approximate model provides good accuracy.

  13. Modelling interactions of carbon dioxide, forests, and climate

    SciTech Connect

    Luxmoore, R.J.; Baldocchi, D.D.

    1994-09-01

    Atmospheric carbon dioxide is rising and forests and climate is changing! This combination of fact and premise may be evaluated at a range of temporal and spatial scales with the aid of computer simulators describing the interrelationships between forest vegetation, litter and soil characteristics, and appropriate meteorological variables. Some insights on the effects of climate on the transfers of carbon and the converse effect of carbon transfer on climate are discussed as a basis for assessing the significance of feedbacks between vegetation and climate under conditions of rising atmospheric carbon dioxide. Three main classes of forest models are reviewed. These are physiologically-based models, forest succession simulators based on the JABOWA model, and ecosystem-carbon budget models that use compartment transfer rates with empirically estimated coefficients. Some regression modeling approaches are also outlined. Energy budget models applied to forests and grasslands are also reviewed. This review presents examples of forest models; a comprehensive discussion of all available models is not undertaken.

  14. Modeling of HiPco Process for Carbon Nanotube Production

    NASA Technical Reports Server (NTRS)

    Gokcen, T.; Dateo, C. E.; Meyyappan, M.; Colbert, D. T.; Smith, D. T.; Smith, K.; Smalley, R. E.; Arnold, James O. (Technical Monitor)

    2000-01-01

    High-pressure carbon monoxide (HiPco) reactor, developed at Rice University, is used to produce single-walled carbon nanotubes (SWNT) from gas-phase reactions of iron carbonyl and nickel carbonyl in carbon monoxide at high pressures (10 - 100 atm). Computational modeling is used to better understand the HiPco process. In the present model, decomposition of the precursor, metal cluster formation and growth, and carbon nanotube growth are addressed. Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. Diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by Boudouard reaction (2CO ---> C(s) + CO2) with metal catalysts. The growth kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance.

  15. Modeling of HiPco Process for Carbon Nanotube Production

    NASA Technical Reports Server (NTRS)

    Gokcen, T.; Dateo, C. E.; Meyyappan, M.; Colbert, D. T.; Smith, D. T.; Smith, K.; Smalley, R. E.; Arnold, James O. (Technical Monitor)

    2000-01-01

    High-pressure carbon monoxide (HiPco) reactor, developed at Rice University, is used to produce single-walled carbon nanotubes (SWNT) from gas-phase reactions of iron carbonyl and nickel carbonyl in carbon monoxide at high pressures (10 - 100 atm). Computational modeling is used to better understand the HiPco process. In the present model, decomposition of the precursor, metal cluster formation and growth, and carbon nanotube growth are addressed. Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. Diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by Boudouard reaction (2CO ---> C(s) + CO2) with metal catalysts. The growth kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance.

  16. Chemical Energy Release in Several Recently Discovered Detonation and Deflagration Flows

    NASA Astrophysics Data System (ADS)

    Tarver, Craig M.

    2010-10-01

    Several recent experiments on complex detonation and deflagration flows are analyzed in terms of the chemical energy release required to sustain these flows. The observed double cellular structures in detonating gaseous nitromethane-oxygen and NO2-fuel (H2, CH4, and C2H6) mixtures are explained by the amplification of two distinct pressure wave frequencies by two exothermic reactions, the faster reaction forming vibrationally excited NO* and the slower reaction forming highly vibrationally excited N2**. The establishment of a Chapman-Jouguet (C-J) deflagration behind a weak shock wave, the C-J detonation established after a head-on collision with a shock front, and the C-J detonation conditions established in reactive supersonic flows are quantitatively calculated using the chemical energy release of a H2 + Cl2 mixture. For these three reactive flows, these calculations illustrate that different fractions of the exothermic chemical energy are used to sustain steady-state propagation. C-J detonation calculations on the various initial states using the CHEETAH chemical equilibrium code are shown to be in good agreement with experimental detonation velocity measurements for the head-on collision and supersonic flow detonations.

  17. Experimental Characterization of a Plasma Deflagration Accelerator for Simulating Fusion Wall Response to Disruption Events

    NASA Astrophysics Data System (ADS)

    Underwood, Thomas; Loebner, Keith; Cappelli, Mark

    2016-10-01

    In this work, the suitability of a pulsed deflagration accelerator to simulate the interaction of edge-localized modes with plasma first wall materials is investigated. Experimental measurements derived from a suite of diagnostics are presented that focus on the both the properties of the plasma jet and the manner in which such jets couple with material interfaces. Detailed measurements of the thermodynamic plasma state variables within the jet are presented using a quadruple Langmuir probe operating in current-saturation mode. This data in conjunction with spectroscopic measurements of H α Stark broadening via a fast-framing, intensified CCD camera provide spatial and temporal measurements of how the plasma density and temperature scale as a function of input energy. Using these measurements, estimates for the energy flux associated with the deflagration accelerator are found to be completely tunable over a range spanning 150 MW m-2 - 30 GW m-2. The plasma-material interface is investigated using tungsten tokens exposed to the plasma plume under variable conditions. Visualizations of resulting shock structures are achieved through Schlieren cinematography and energy transfer dynamics are discussed by presenting temperature measurements of exposed materials. This work is supported by the U.S. Department of Energy Stewardship Science Academic Program in addition to the National Defense Science Engineering Graduate Fellowship.

  18. Fast Hydrogen-Air Flames for Turbulence Driven Deflagration to Detonation Transition

    NASA Astrophysics Data System (ADS)

    Chambers, Jessica; Ahmed, Kareem

    2016-11-01

    Flame acceleration to Detonation produces several combustion modes as the Deflagration-to-Detonation Transition (DDT) is initiated, including fast deflagration, auto-ignition, and quasi-detonation. Shock flame interactions and turbulence levels in the reactant mixture drive rapid flame expansion, formation of a leading shockwave and post-shock conditions. An experimental study to characterize the developing shock and flame front behavior of propagating premixed hydrogen-air flames in a square channel is presented. To produce each flame regime, turbulence levels and flame propagation velocity are controlled using perforated plates in several configurations within the experimental facility. High speed optical diagnostics including Schlieren and Particle Image Velocimetry are used to capture the flow field. In-flow pressure measurements acquired post-shock, detail the dynamic changes that occur in the compressed gas directly ahead of the propagating flame. Emphasis on characterizing the turbulent post-shock environment of the various flame regimes helps identify the optimum conditions to initiate the DDT process. The study aims to further the understanding of complex physical mechanisms that drive transient flame conditions for detonation initiation. American Chemical Society.

  19. Models for naturally fractured, carbonate reservoir simulations

    SciTech Connect

    Tuncay, K.; Park, A.; Ozkan, G.; Zhan, X.; Ortoleva, P.; Hoak, T.; Sundberg, K.

    1998-12-31

    This report outlines the need for new tools for the simulation of fractured carbonate reservoirs. Several problems are identified that call for the development of new reservoir simulation physical models and numerical techniques. These include: karst and vuggy media wherein Darcy`s and traditional multi-phase flow laws do not apply; the need for predicting the preproduction state of fracturing and stress so that the later response of effective stress-dependent reservoirs can be predicted; and methods for predicting the fracturing and collapse of vuggy and karst reservoirs in response to draw-down pressure created during production. Specific research directions for addressing each problem are outlined and preliminary results are noted.

  20. Modelling Seasonal Carbon Dynamics on Fen Peatlands

    NASA Astrophysics Data System (ADS)

    Giebels, Michael; Beyer, Madlen; Augustin, Jürgen; Roppel, Mario; Juszczak, Radoszlav; Serba, Tomasz

    2010-05-01

    In Germany more than 99 % of fens have lost their carbon and nutrient sink function due to heavy drainage and agricultural land use especially during the last decades and thus resulted in compression and heavy peat loss (CHARMAN 2002; JOOSTEN & CLARKE 2002; SUCCOW & JOOSTEN 2001; AUGUSTIN et al. 1996; KUNTZE 1993). Therefore fen peatlands play an important part (4-5 %) in the national anthropogenic trace gas budget. But only a small part of drained and agricultural used fens in NE Germany can be restored. Knowledge of the influence of land use to trace gas exchange is important for mitigation of the climate impact of the anthropogenic peatland use. We study carbon exchanges between soil and atmosphere on several fen peatland use areas at different sites in NE-Germany. Our research covers peatlands of supposed strongly climate forcing land use (cornfield and intensive pasture) and of probably less forcing, alternative types (meadow and extensive pasture) as well as rewetted (formerly drained) areas and near-natural sites like a low-degraded fen and a wetted alder woodland. We measured trace gas fluxes with manual and automatic chambers in periodic routines since spring 2007. The used chamber technique bases on DROESLER (2005). In total we now do research at 22 sites situated in 5 different locations covering agricultural, varying states of rewetted and near-natural treatments. We present results of at least 2 years of measurements on our site of varying types of agricultural land use. There we found significant differences in the annual carbon balances depending on the genesis of the observed sites and the seasonal dynamics. Annual balances were constructed by applying single respiration and photosynthesis CO2 models for each measurement campaign. These models were based on LLOYD-TAYLOR (1994) and Michaelis-Menten-Kinetics respectively. Crosswise comparison of different site treatments combined with the seasonal environmental observations give good hints for the

  1. Soil carbon model alternatives for ECHAM5/JSBACH climate model: Evaluation and impacts on global carbon cycle estimates

    NASA Astrophysics Data System (ADS)

    Thum, T.; RäIsäNen, P.; Sevanto, S.; Tuomi, M.; Reick, C.; Vesala, T.; Raddatz, T.; Aalto, T.; JäRvinen, H.; Altimir, N.; Pilegaard, K.; Nagy, Z.; Rambal, S.; Liski, J.

    2011-06-01

    The response of soil organic carbon to climate change might lead to significant feedbacks affecting global warming. This response can be studied by coupled climate-carbon cycle models but so far the description of soil organic carbon cycle in these models has been quite simple. In this work we used the coupled climate-carbon cycle model ECHAM5/JSBACH (European Center/Hamburg Model 5/Jena Scheme for Biosphere-Atmosphere Coupling in Hamburg) with two different soil carbon modules, namely (1) the original soil carbon model of JSBACH called CBALANCE and (2) a new soil carbon model Yasso07, to study the interaction between climate variability and soil organic carbon. Equivalent ECHAM5/JSBACH simulations were conducted using both soil carbon models, with freely varying atmospheric CO2 for the last 30 years (1977-2006). In this study, anthropogenic CO2 emissions and ocean carbon cycle were excluded. The new model formulation produced soil carbon stock estimates that were much closer to measured values. It also captured better the seasonal cycle of the direct CO2 exchange measurements at the three grassland sites considered (RMS error reduced by 12%), while for the five forest sites also analyzed, the results were ambiguous and the RMS error was 12% larger for Yasso07 than for CBALANCE. As a response to climatic changes, Yasso07 showed greater release of soil carbon to the atmosphere than the original model formulation during the years 1977-2006. This emphasizes the need for better understanding the processes affecting soil carbon stocks and their turnover rates to predict the climatic feedbacks.

  2. The role of gas phase reactions in the deflagration-to-detonation transition of high energy propellants

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

    The inadequacies of the two commonly used assumptions are shown, along with the need for considering gas phase reactions. Kinetic parameters that describe the gas phase reactions for several ingredients are provided, and the first steps in convective combustion leading to deflagration to detonation transition are described.

  3. The role of gas phase reactions in the deflagration-to-detonation transition of high energy propellants

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

    The inadequacies of the two commonly used assumptions are shown, along with the need for considering gas phase reactions. Kinetic parameters that describe the gas phase reactions for several ingredients are provided, and the first steps in convective combustion leading to deflagration to detonation transition are described.

  4. Comparison of Carbon Dioxide Solubility Models in Brine for Use in Carbon Sequestration Reservoir Estimates

    NASA Astrophysics Data System (ADS)

    Karamalidis, A.; Wang, Z.; Small, M.; Dilmore, R. M.; Goodman, A. L.

    2011-12-01

    Carbon sequestration into deep geological formations, such as saline formations and oil and gas fields, is a promising method to mitigate global warming. Estimating carbon dioxide solubility (TPX) in brine under carbon sequestration conditions with high temperature, pressure and salinity is crucial in choosing suitable carbon sequestration reservoirs and determining the carbon dioxide storage capacity of each. Multiple mathematical models are available for predicting the solubility of CO2 in brine. Although comparisons of each model with a particular experimental data set collected under certain TPX conditions have been published by the model developers, few studies have been done to compare these models using a comprehensive experimental data set and rigorous statistical methods. In this study, available CO2 solubility experimental data and nine mathematical models for the prediction of CO2 solubility in brine were collected. Five of these predictive models are empirical or semi-empirical and the remainders are based on different equations of state. Statistical criteria, such as the AIC and BIC were employed to determine the goodness of fit of each mathematical model with the CO2 solubility experimental data set. Results of this analysis determine the best mathematical predictive model for the calculation of carbon dioxide solubility under carbon sequestration conditions. Preliminary analysis shows that simplified models with fewer variables perform equally well with those having more. The study also presents a quantitative approach to determine the best CO2 solubility predictive model through use of a regression tree.

  5. Regular thermodynamic model for interstitial iron-carbon solutions

    NASA Astrophysics Data System (ADS)

    Zhaoyang, Xie; Mokuang, Kang; Xiaolei, Wu

    1994-06-01

    A thermodynamic model for the interstitial iron-carbon solution is proposed. The equilibrious thermodynamics properties of carbon in austenite which is predicted by the present model is in full agreement with the experimental data within the temperature range of 900-1400 C. The model can also give a description of the kinetic behavior of the variation in diffusion coefficient of carbon in austenite with the carbon content at various temperatures. Combined with the quasi-regular treatment of carbon atoms in ferrite, the model can further be used to depict accurately the gamma / (alpha + gamma) and alpha / (alpha + gamma) phase boundaries in the iron-rich region of the Fe-C phase diagram. What is more, the expressions of thermodynamic functions in the model are simple and explicit, as compared with KRC, LFG and MD models.

  6. Incorporating Terrestrial Processes in Models of PETM Carbon Cycle Evolution

    NASA Astrophysics Data System (ADS)

    Bowen, G. J.

    2016-12-01

    Evidence for the massive, rapid release of carbon to the ocean/atmosphere/biosphere system at the onset of the PETM is unequivocal, but the sequence of feedbacks that governed the evolution and recovery of the carbon cycle over the subsequent 150,000 years of the event remain unclear. Sedimentological evidence suggests that much of the excess carbon was eventually sequestered as carbonate in marine sediments, but there is also significant and growing evidence for changes in continental carbon cycle processes, most of which have not been incorporated in models of the event. I describe several aspects of the observed or implied continental response to the PETM, including changes in ecosystem organic carbon storage, soil carbonate growth, and export of organic carbon to the marine margins. These processes, along with continental silicate weathering, have been incorporated in a terrestrial module for a simple box model of the PETM carbon cycle, which is being used to evaluate their potential impact on global carbon cycle response and recovery. Although changes in terrestrial organic carbon storage can help explain patterns of global carbon isotope change throughout the event, constraints from ocean pH records suggest that other mechanisms must have contributed to pacing the duration and recovery of the PETM. Model results suggest that enhanced soil carbonate formation and the provenance of organic carbon buried in continental margin sediments are two poorly constrained variables that could alter the interpretation and implications of the continental records. Given the strong potential for, and high uncertainty in, future changes in terrestrial carbon cycle processes, resolving the nature and long-term impacts of such changes during the PETM represents a major opportunity to leverage the geologic record of this hyperthermal to increase understanding of human-induced global change.

  7. Carbon Management In the Post-Cap-and-Trade Carbon Economy: An Economic Model for Limiting Climate Change by Managing Anthropogenic Carbon Flux

    NASA Astrophysics Data System (ADS)

    DeGroff, F. A.

    2013-05-01

    In this paper, we discuss an economic model for comprehensive carbon management that focuses on changes in carbon flux in the biosphere due to anthropogenic activity. The two unique features of the model include: 1. A shift in emphasis from primarily carbon emissions, toward changes in carbon flux, mainly carbon extraction, and 2. A carbon price vector (CPV) to express the value of changes in carbon flux, measured in changes in carbon sequestration, or carbon residence time. The key focus with the economic model is the degree to which carbon flux changes due to anthropogenic activity. The economic model has three steps: 1. The CPV metric is used to value all forms of carbon associated with any anthropogenic activity. In this paper, the CPV used is a logarithmic chronological scale to gauge expected carbon residence (or sequestration) time. In future economic models, the CPV may be expanded to include other factors to value carbon. 2. Whenever carbon changes form (and CPV) due to anthropogenic activity, a carbon toll is assessed as determined by the change in the CPV. The standard monetary unit for carbon tolls are carbon toll units, or CTUs. The CTUs multiplied by the quantity of carbon converted (QCC) provides the total carbon toll, or CT. For example, CT = (CTU /mole carbon) x (QCC moles carbon). 3. Whenever embodied carbon (EC) attributable to a good or service moves via trade to a jurisdiction with a different CPV metric, a carbon toll (CT) is assessed representing the CPV difference between the two jurisdictions. This economic model has three clear advantages. First, the carbon pricing and cost scheme use existing and generally accepted accounting methodologies to ensure the veracity and verifiability of carbon management efforts with minimal effort and expense using standard, existing auditing protocols. Implementing this economic model will not require any new, special, unique, or additional training, tools, or systems for any entity to achieve their minimum

  8. Accreting white dwarf models for type 1 supernovae. 1: Presupernova evolution and triggering mechanisms

    NASA Technical Reports Server (NTRS)

    Nomoto, K.

    1981-01-01

    As a plausible explosion model for a Type I supernova, the evolution of carbon-oxygen white dwarfs accreting helium in binary systems was investigated from the onset of accretion up to the point at which a thermonuclear explosion occurs. The relationship between the conditions in the binary system and the triggering mechanism for the supernova explosion is discussed, especially for the cases with relatively slow accretion rate. It is found that the growth of a helium zone on the carbon-oxygen core leads to a supernova explosion which is triggered either by the off-center helium detonation for slow and intermediate accretion rates or by the carbon deflagration for slow and rapid accretion rates. Both helium detonation and carbon deflagration are possible for the case of slow accretion, since in this case the initial mass of the white dwarf is an important parameter for determining the mode of ignition. Finally, various modes of building up the helium zone on the white dwarf, namely, direct transfer of helium from the companion star and the various types and strength of the hydrogen shell flashes are discussed in some detail.

  9. Above-belowground Carbon Allocation in Earth System Models

    NASA Astrophysics Data System (ADS)

    Song, X.; Hoffman, F. M.; Xu, X.; Iversen, C. M.; Kumar, J.

    2014-12-01

    Above-belowground carbon allocation is a critical mechanism for vegetation growth and its adaptation to the changing environment. The model representation of carbon allocation mechanisms significantly influence the simulated carbon stock and land-atmosphere exchange in Earth System Models (ESMs). Few previous studies, however, have investigated and evaluated the above-belowground carbon allocation in ESMs. In this study, we analyzed carbon density in belowground, total vegetation (above + belowground), and belowground:vegetation ratios of eleven ESMs from the Coupled Model Inter-comparison Project Phase 5 (CMIP5), which were used for the latest IPCC Assessment Report (AR5). Overall, results of ESMs are not consistent with observational data; both the belowground and total vegetation carbon density are underestimated in tropical/subtropical and temperate regions, while overestimated in arctic/subarctic regions. Moreover, the ratios of belowground:total vegetation carbon are underestimated in all three climate zones. The model-data discrepancies in carbon density vary substantially among biomes, while the ratios of belowground:total vegetation carbon are consistently underestimated across all major biomes expect tropical moist forests. This study indicates that the carbon allocation algorithms in current ESMs need to be improved to better simulate vegetation growth and its responses to global change.

  10. Carbon Dynamics and Export from Flooded Wetlands: A Modeling Approach

    EPA Science Inventory

    Described in this article is development and validation of a process based model for carbon cycling in flooded wetlands, called WetQual-C. The model considers various biogeochemical interactions affecting C cycling, greenhouse gas emissions, organic carbon export and retention. ...

  11. Simulated Carbon Cycling in a Model Microbial Mat.

    NASA Astrophysics Data System (ADS)

    Decker, K. L.; Potter, C. S.

    2006-12-01

    We present here the novel addition of detailed organic carbon cycling to our model of a hypersaline microbial mat ecosystem. This ecosystem model, MBGC (Microbial BioGeoChemistry), simulates carbon fixation through oxygenic and anoxygenic photosynthesis, and the release of C and electrons for microbial heterotrophs via cyanobacterial exudates and also via a pool of dead cells. Previously in MBGC, the organic portion of the carbon cycle was simplified into a black-box rate of accumulation of simple and complex organic compounds based on photosynthesis and mortality rates. We will discuss the novel inclusion of fermentation as a source of carbon and electrons for use in methanogenesis and sulfate reduction, and the influence of photorespiration on labile carbon exudation rates in cyanobacteria. We will also discuss the modeling of decomposition of dead cells and the ultimate release of inorganic carbon. The detailed modeling of organic carbon cycling is important to the accurate representation of inorganic carbon flux through the mat, as well as to accurate representation of growth models of the heterotrophs under different environmental conditions. Because the model ecosystem is an analog of ancient microbial mats that had huge impacts on the atmosphere of early earth, this MBGC can be useful as a biological component to either early earth models or models of other planets that potentially harbor life.

  12. Carbon Dynamics and Export from Flooded Wetlands: A Modeling Approach

    EPA Science Inventory

    Described in this article is development and validation of a process based model for carbon cycling in flooded wetlands, called WetQual-C. The model considers various biogeochemical interactions affecting C cycling, greenhouse gas emissions, organic carbon export and retention. ...

  13. Model light curves of linear Type II supernovae

    SciTech Connect

    Swartz, D.A.; Wheeler, J.C.; Harkness, R.P. )

    1991-06-01

    Light curves computed from hydrodynamic models of supernova are compared graphically with the average observed B and V-band light curves of linear Type II supernovae. Models are based on the following explosion scenarios: carbon deflagration within a C + O core near the Chandrasekhar mass, electron-capture-induced core collapse of an O-Ne-Mg core of the Chandrasekhar mass, and collapse of an Fe core in a massive star. A range of envelope mass, initial radius, and composition is investigated. Only a narrow range of values of these parameters are consistent with observations. Within this narrow range, most of the observed light curve properties can be obtained in part, but none of the models can reproduce the entire light curve shape and absolute magnitude over the full 200 day comparison period. The observed lack of a plateau phase is explained in terms of a combination of small envelope mass and envelope helium enhancement. The final cobalt tail phase of the light curve can be reproduced only if the mass of explosively synthesized radioactive Ni-56 is small. The results presented here, in conjunction with the observed homogeneity among individual members of the supernova subclass, argue favorably for the O-Ne-Mg core collapse mechanism as an explanation for linear Type II supernovae. The Crab Nebula may arisen from such an explosion. Carbon deflagrations may lead to brighter events like SN 1979C. 62 refs.

  14. Modelling erosion and its interaction with soil organic carbon.

    NASA Astrophysics Data System (ADS)

    Oyesiku-Blakemore, Joseph; Verrot, Lucile; Geris, Josie; Zhang, Ganlin; Peng, Xinhua; Hallett, Paul; Smith, Jo

    2017-04-01

    Water driven soil erosion removes and relocates a significant quantity of soil organic carbon. In China the quantity of carbon removed from the soil through water erosion has been reported to be 180+/-80 Mt y-1 (Yue et al., 2011). Being able to effectively model the movement of such a large quantity of carbon is important for the assessment of soil quality and carbon storage in the region and further afield. A large selection of erosion models are available and much work has been done on evaluating the performance of these in developed countries (Merritt et al., 2006). Fewer studies have evaluated the application of these models on soils in developing countries. Here we evaluate and compare the performance of two of these models, WEPP (Laflen et al., 1997) and RUSLE (Renard et al., 1991), for simulations of soil erosion and deposition at the slope scale on a Chinese Red Soil under cultivation using measurements taken at the site. We also describe work to dynamically couple the movement of carbon presented in WEPP to a model of soil organic matter and nutrient turnover, ECOSSE (Smith et al., 2010). This aims to improve simulations of both erosion and carbon cycling by using the simulated rates of erosion to alter the distribution of soil carbon, the depth of soil and the clay content across the slopes, changing the simulated rate of carbon turnover. This, in turn, affects the soil carbon available to be eroded in the next timestep, so improving estimates of carbon erosion. We compare the simulations of this coupled modelling approach with those of the unaltered ECOSSE and WEPP models to determine the importance of coupling erosion and turnover models on the simulation of carbon losses at catchment scale.

  15. The uncertainty of modeled soil carbon stock change for Finland

    NASA Astrophysics Data System (ADS)

    Lehtonen, Aleksi; Heikkinen, Juha

    2013-04-01

    Countries should report soil carbon stock changes of forests for Kyoto Protocol. Under Kyoto Protocol one can omit reporting of a carbon pool by verifying that the pool is not a source of carbon, which is especially tempting for the soil pool. However, verifying that soils of a nation are not a source of carbon in given year seems to be nearly impossible. The Yasso07 model was parametrized against various decomposition data using MCMC method. Soil carbon change in Finland between 1972 and 2011 were simulated with Yasso07 model using litter input data derived from the National Forest Inventory (NFI) and fellings time series. The uncertainties of biomass models, litter turnoverrates, NFI sampling and Yasso07 model were propagated with Monte Carlo simulations. Due to biomass estimation methods, uncertainties of various litter input sources (e.g. living trees, natural mortality and fellings) correlate strongly between each other. We show how original covariance matrices can be analytically combined and the amount of simulated components reduce greatly. While doing simulations we found that proper handling correlations may be even more essential than accurate estimates of standard errors. As a preliminary results, from the analysis we found that both Southern- and Northern Finland were soil carbon sinks, coefficient of variations (CV) varying 10%-25% when model was driven with long term constant weather data. When we applied annual weather data, soils were both sinks and sources of carbon and CVs varied from 10%-90%. This implies that the success of soil carbon sink verification depends on the weather data applied with models. Due to this fact IPCC should provide clear guidance for the weather data applied with soil carbon models and also for soil carbon sink verification. In the UNFCCC reporting carbon sinks of forest biomass have been typically averaged for five years - similar period for soil model weather data would be logical.

  16. Modelling the effects of grassland management on the carbon cycle

    NASA Astrophysics Data System (ADS)

    Rolinski, Susanne; Heinke, Jens; Weindl, Isabelle

    2014-05-01

    Management of grassland is assumed to have a substantial impact on the global carbon cycle and large potential for carbon sequestration. There are few global assessments of the respective fluxes. Within the well-established dynamic global vegetation model LPJmL, we implemented four major options for the management and harvest regimes of grasslands. This approach enables to study the feedbacks of biomass removal through harvest and grazing on grassland productivity. We demonstrate sensitivity of carbon fluxes and stocks under different grassland management options. This opens the possibility for the integration of observation-based estimates of carbon sequestration in global models.

  17. Modeling Carbon Chain Anions in L1527

    NASA Astrophysics Data System (ADS)

    Harada, Nanase; Herbst, Eric

    2008-09-01

    The low-mass protostellar region L1527 is unusual because it contains observable abundances of unsaturated carbon-chain molecules including CnH radicals, H2Cn carbenes, cyanopolyynes, and the negative ions C4H- and C6H-, all of which are more associated with cold cores than with protostellar regions. Sakai et al. suggested that these molecules are formed in L1527 from the chemical precursor methane, which evaporates from the grains during the heat-up of the region. With the gas-phase osu.03.2008 network extended to include negative ions of the families C-n, and CnH-, as well as the newly detected C3N-, we modeled the chemistry that occurs following methane evaporation at T ≈ 25-30 K. We are able to reproduce most of the observed molecular abundances in L1527 at a time of ≈5 × 103 yr. At later times, the overall abundance of anions become greater than that of electrons, which has an impact on many organic species and ions. The anion-to-neutral ratio in our calculation is in good agreement with observation for C6H-, but exceeds the observed ratio by more than 3 orders of magnitude for C4H-. In order to explain this difference, further investigation is needed on the rate coefficients for electron attachment and other reactions regarding anions.

  18. Methodology for estimating soil carbon for the forest carbon budget model of the United States, 2001

    Treesearch

    L. S. Heath; R. A. Birdsey; D. W. Williams

    2002-01-01

    The largest carbon (C) pool in United States forests is the soil C pool. We present methodology and soil C pool estimates used in the FORCARB model, which estimates and projects forest carbon budgets for the United States. The methodology balances knowledge, uncertainties, and ease of use. The estimates are calculated using the USDA Natural Resources Conservation...

  19. Comparing global soil models to soil carbon profile databases

    NASA Astrophysics Data System (ADS)

    Koven, C. D.; Harden, J. W.; He, Y.; Lawrence, D. M.; Nave, L. E.; O'Donnell, J. A.; Treat, C.; Sulman, B. N.; Kane, E. S.

    2015-12-01

    As global soil models begin to consider the dynamics of carbon below the surface layers, it is crucial to assess the realism of these models. We focus on the vertical profiles of soil C predicted across multiple biomes form the Community Land Model (CLM4.5), using different values for a parameter that controls the rate of decomposition at depth versus at the surface, and compare these to observationally-derived diagnostics derived from the International Soil Carbon Database (ISCN) to assess the realism of model predictions of carbon depthattenuation, and the ability of observations to provide a constraint on rates of decomposition at depth.

  20. Kinetic viscoelasticity modeling applied to degradation during carbon-carbon composite processing

    NASA Astrophysics Data System (ADS)

    Drakonakis, Vassilis M.; Seferis, James C.; Wardle, Brian L.; Nam, Jae-Do; Papanicolaou, George C.; Doumanidis, Charalambos C.

    2010-04-01

    Kinetic viscoelasticity modeling has been successfully utilized to describe phenomena during cure of thermoset based carbon fiber reinforced matrices. The basic difference from classic viscoelasticity is that the fundamental material descriptors change as a result of reaction kinetics. Accordingly, we can apply the same concept for different kinetic phenomena with simultaneous curing and degradation. The application of this concept can easily be utilized in processing and manufacturing of carbon-carbon composites, where phenolic resin matrices are cured degraded and reinfused in a carbon fiber bed. This work provides a major step towards understanding complex viscoelastic phenomena that go beyond simple thermomechanical descriptors.

  1. Novel modeling constraints on the rate of PETM carbon injection

    NASA Astrophysics Data System (ADS)

    Kirtland Turner, S.; Hull, P. M.; Kump, L. R.; Ridgwell, A.

    2016-12-01

    Carbon injection triggering the Paleocene-Eocene Thermal Maximum (PETM, 56 Ma) is variously thought to have occurred over a geologic instant to tens of thousands of years. Typically, these estimates of the onset duration rely on conventional sedimentary age models that are not ideal for resolving rapid change. Yet, knowledge of the PETM onset duration is crucial for making comparisons with future climate change. Different durations of carbon input (or the rate of carbon injection if constraint is placed on the total mass of PETM carbon emissions) should, however, result in distinct records of environmental change. Here we use a combination of modeling methods to place constraints on the rate of carbon injection across the PETM. First, we apply the Earth system model cGENIE to quantify the consequences of differing carbon input durations on the isotopic and temperature record of different carbon reservoirs, tracing how the isotopic signal and temperature rise is differentially imprinted within the atmosphere and ocean, and focusing on patterns and causes of spatial and depth-dependent variation in the carbon isotopic anomaly and warming in the ocean. Next, we apply a sediment mixing model that tracks individual particles to evaluate the extent to which bioturbation and changes in relative abundance of different microfossils groups used for isotopic analysis can bias the sedimentary record of abrupt PETM carbon injection. These methods provide multiple independent constraints on the duration of carbon injection, which together imply that the component of carbon emissions that dominates the PETM carbon isotopic and temperature signal likely occurred over <3 to 5 kyr.

  2. One-step reduced kinetics for lean hydrogen-air deflagration

    SciTech Connect

    Fernandez-Galisteo, D.; Sanchez, A.L.; Linan, A.; Williams, F.A.

    2009-05-15

    A short mechanism consisting of seven elementary reactions, of which only three are reversible, is shown to provide good predictions of hydrogen-air lean-flame burning velocities. This mechanism is further simplified by noting that over a range of conditions of practical interest, near the lean flammability limit all reaction intermediaries have small concentrations in the important thin reaction zone that controls the hydrogen-air laminar burning velocity and therefore follow a steady state approximation, while the main species react according to the global irreversible reaction 2H{sub 2} + O{sub 2} {yields} 2H{sub 2}O. An explicit expression for the non-Arrhenius rate of this one-step overall reaction for hydrogen oxidation is derived from the seven-step detailed mechanism, for application near the flammability limit. The one-step results are used to calculate flammability limits and burning velocities of planar deflagrations. Furthermore, implications concerning radical profiles in the deflagration and reasons for the success of the approximations are clarified. It is also demonstrated that adding only two irreversible direct recombination steps to the seven-step mechanism accurately reproduces burning velocities of the full detailed mechanism for all equivalence ratios at normal atmospheric conditions and that an eight-step detailed mechanism, constructed from the seven-step mechanism by adding to it the fourth reversible shuffle reaction, improves predictions of O and OH profiles. The new reduced-chemistry descriptions can be useful for both analytical and computational studies of lean hydrogen-air flames, decreasing required computation times. (author)

  3. Isotope-based Fluvial Organic Carbon (ISOFLOC) Model: Model formulation, sensitivity, and evaluation

    NASA Astrophysics Data System (ADS)

    Ford, William I.; Fox, James F.

    2015-06-01

    Watershed-scale carbon budgets remain poorly understood, in part due to inadequate simulation tools to assess in-stream carbon fate and transport. A new numerical model termed ISOtope-based FLuvial Organic Carbon (ISOFLOC) is formulated to simulate the fluvial organic carbon budget in watersheds where hydrologic, sediment transport, and biogeochemical processes are coupled to control benthic and transported carbon composition and flux. One ISOFLOC innovation is the formulation of new stable carbon isotope model subroutines that include isotope fractionation processes in order to estimate carbon isotope source, fate, and transport. A second innovation is the coupling of transfers between carbon pools, including algal particulate organic carbon, fine particulate and dissolved organic carbon, and particulate and dissolved inorganic carbon, to simulate the carbon cycle in a comprehensive manner beyond that of existing watershed water quality models. ISOFLOC was tested and verified in a low-gradient, agriculturally impacted stream. Results of a global sensitivity analysis suggested the isotope response variable had unique sensitivity to the coupled interaction between fluvial shear resistance of algal biomass and the concentration of dissolved inorganic carbon. Model calibration and validation suggested good agreement at event, seasonal, and annual timescales. Multiobjective uncertainty analysis suggested inclusion of the carbon stable isotope routine reduced uncertainty by 80% for algal particulate organic carbon flux estimates.

  4. Effects of Corona, Spark and Surface Discharges on Ignition Delay and Deflagration-to-Detonation Times in Pulsed Detonation Engines (Postprint)

    DTIC Science & Technology

    2006-12-01

    AFRL-RZ-WP-TP-2008-2034 EFFECTS OF CORONA, SPARK AND SURFACE DISCHARGES ON IGNITION DELAY AND DEFLAGRATION-TO-DETONATION TIMES IN PULSED ...DETONATION ENGINES (POSTPRINT) Kenneth Busby, Jennifer Corrigan , Sheng-Tao Yu, Skip Williams, Campbell D. Carter, Frederick Schauer, John Hoke...DELAY AND DEFLAGRATION-TO-DETONATION TIMES IN PULSED DETONATION ENGINES (POSTPRINT) 5c. PROGRAM ELEMENT NUMBER 61102F 5d. PROJECT NUMBER 2308 5e

  5. CarbonTracker-Lagrange: A model-data assimilation system for North American carbon flux estimates

    NASA Astrophysics Data System (ADS)

    He, Wei; Chen, Huilin; van der Velde, Ivar; Andrews, Arlyn; Sweeney, Colm; Baker, Ian; Ju, Weimin; van der Laan-Luijkx, Ingrid; Tans, Pieter; Peters, Wouter

    2016-04-01

    Understanding the regional carbon fluxes is of great importance for climate-related studies. To derive these carbon fluxes, atmospheric inverse modeling methods are often used. Different from global inverse modeling, regional studies need to deal with lateral boundary conditions (BCs) at the outer atmospheric domain studied. Also, regional inverse modeling systems typically use a higher spatial resolution and can be more computation-intensive. In this study, we implement a regional inverse modeling system for atmospheric CO₂ based on the CarbonTracker framework. We combine it with a high-resolution Lagrangian transport model, the Stochastic Time-Inverted Lagrangian Transport model driven by the Weather Forecast and Research meteorological fields (WRF-STILT). The new system uses independent information from aircraft CO₂ profiles to optimize lateral BCs, while simultaneously optimizing biosphere fluxes with near-surface CO₂ observations from tall towers. This Lagrangian transport model with precalculated footprints is computational more efficient than using an Eulerian model. We take SiBCASA biosphere model results as prior NEE from the terrestrial biosphere. Three different lateral BCs, derived from CarbonTracker North America mole fraction fields, CarbonTracker Europe mole fraction fields and an empirical BC from NOAA aircraft profiles, are employed to investigate the influence of BCs. To estimate the uncertainties of the optimized fluxes from the system and to determine the impacts of system setup on biosphere flux covariances, BC uncertainties and model-data mismatches, we tested various prior biosphere fluxes and BCs. To estimate the transport uncertainties, we also tested an alternative Lagrangian transport model Hybrid Single Particle Lagrangian Integrated Trajectory Model driven by the North American Mesoscale Forecast System meteorological fields (HYSPLIT-NAM12). Based on the above tests, we achieved an ensemble of inverse estimates from our system

  6. Response Of Ocean Carbon Export To Different Model Algorithms

    NASA Astrophysics Data System (ADS)

    Caglar Yumruktepe, Veli; Salihoglu, Baris; Kideys, Ahmet E.

    2013-04-01

    Effects of climate change on the biological carbon pump (BCP) and vice-versa, and the influence of change in ecosystem structure on the dynamics of BCP are vital topics to understand the role of oceans in the global carbon cycle and sequestration of greenhouse gases. Construction of a complete carbon budget, requires better understanding of air-sea exchanges and the processes controlling the vertical and horizontal transport of carbon in the ocean, particularly the biological carbon pump. Improved parameterization of carbon sequestration within ecosystem models is vital to better understand and predict changes in the global carbon cycle. However, due to the complexity of processes controlling particle aggregation, sinking and decomposition, existing ecosystem models necessarily parameterize carbon sequestration using simple algorithms. For this reason, the primary aim of this study is to provide new parameterizations of the downward flux of organic carbon, suitable for inclusion in numerical models. The study area was chosen to be the North Atlantic Basin (NA) and the surrounding shelf seas. In the scope of this study, first, the skill of existing models in representing particle fluxes were compared theoretically. The unique algorithms used in three state-of-the art ecosystem models ERSEM, PISCES and MEDUSA have been compared and tested against observational data collected at the PAP mooring site. For testing purposes, algorithms were inserted into a common 1D pelagic ecosystem model. Following comparison of existing algorithms, new experimental results obtained from targeted mesocosm experiments and open ocean observations, will be utilized to develop improved formulations. New algorithms will be compared to existing model formulations using a standard validation data set complied within the framework of BASIN. In order to assess algorithm response under differing hydrographic environments, each set of algorithms will be tested within a 1D framework at three sites

  7. Integrating microbial diversity in soil carbon dynamic models parameters

    NASA Astrophysics Data System (ADS)

    Louis, Benjamin; Menasseri-Aubry, Safya; Leterme, Philippe; Maron, Pierre-Alain; Viaud, Valérie

    2015-04-01

    Faced with the numerous concerns about soil carbon dynamic, a large quantity of carbon dynamic models has been developed during the last century. These models are mainly in the form of deterministic compartment models with carbon fluxes between compartments represented by ordinary differential equations. Nowadays, lots of them consider the microbial biomass as a compartment of the soil organic matter (carbon quantity). But the amount of microbial carbon is rarely used in the differential equations of the models as a limiting factor. Additionally, microbial diversity and community composition are mostly missing, although last advances in soil microbial analytical methods during the two past decades have shown that these characteristics play also a significant role in soil carbon dynamic. As soil microorganisms are essential drivers of soil carbon dynamic, the question about explicitly integrating their role have become a key issue in soil carbon dynamic models development. Some interesting attempts can be found and are dominated by the incorporation of several compartments of different groups of microbial biomass in terms of functional traits and/or biogeochemical compositions to integrate microbial diversity. However, these models are basically heuristic models in the sense that they are used to test hypotheses through simulations. They have rarely been confronted to real data and thus cannot be used to predict realistic situations. The objective of this work was to empirically integrate microbial diversity in a simple model of carbon dynamic through statistical modelling of the model parameters. This work is based on available experimental results coming from a French National Research Agency program called DIMIMOS. Briefly, 13C-labelled wheat residue has been incorporated into soils with different pedological characteristics and land use history. Then, the soils have been incubated during 104 days and labelled and non-labelled CO2 fluxes have been measured at ten

  8. A global predictive model of carbon in mangrove soils

    NASA Astrophysics Data System (ADS)

    Jardine, Sunny L.; Siikamäki, Juha V.

    2014-10-01

    Mangroves are among the most threatened and rapidly vanishing natural environments worldwide. They provide a wide range of ecosystem services and have recently become known for their exceptional capacity to store carbon. Research shows that mangrove conservation may be a low-cost means of reducing CO2 emissions. Accordingly, there is growing interest in developing market mechanisms to credit mangrove conservation projects for associated CO2 emissions reductions. These efforts depend on robust and readily applicable, but currently unavailable, localized estimates of soil carbon. Here, we use over 900 soil carbon measurements, collected in 28 countries by 61 independent studies, to develop a global predictive model for mangrove soil carbon. Using climatological and locational data as predictors, we explore several predictive modeling alternatives, including machine-learning methods. With our predictive model, we construct a global dataset of estimated soil carbon concentrations and stocks on a high-resolution grid (5 arc min). We estimate that the global mangrove soil carbon stock is 5.00 ± 0.94 Pg C (assuming a 1 meter soil depth) and find this stock is highly variable over space. The amount of carbon per hectare in the world’s most carbon-rich mangroves (approximately 703 ± 38 Mg C ha-1) is roughly a 2.6 ± 0.14 times the amount of carbon per hectare in the world’s most carbon-poor mangroves (approximately 272 ± 49 Mg C ha-1). Considerable within country variation in mangrove soil carbon also exists. In Indonesia, the country with the largest mangrove soil carbon stock, we estimate that the most carbon-rich mangroves contain 1.5 ± 0.12 times as much carbon per hectare as the most carbon-poor mangroves. Our results can aid in evaluating benefits from mangrove conservation and designing mangrove conservation policy. Additionally, the results can be used to project changes in mangrove soil carbon stocks based on changing climatological predictors, e.g. to

  9. A study on the characteristics of the deflagration of hydrogen-air mixture under the effect of a mesh aluminum alloy.

    PubMed

    Pang, Lei; Wang, Chenxu; Han, Mengxing; Xu, Zilong

    2015-12-15

    Mesh aluminum alloys (MAAs) have been widely used in military and civilian applications to suppress the explosion of flammable gases (fluids) inside containers. However, MAAs have not been tested in or applied to the hydrogen suppression-explosions. Hence, a typical MAA product, i.e., one that has been in wide use, is selected as the experimental material in the present study. The characteristics of the deflagration of hydrogen-air mixture inside an MAA-filled tube are investigated, and the effects of the filling density of the MAA and the concentration of hydrogen in air on the deflagration are examined. The suppressing effect of the MAA on the deflagration of hydrogen-air mixture is compared with its effect on the deflagration of a typical hydrocarbon fuel in air. The results show that not only is the existing MAA product unable to effectively suppress the deflagration of hydrogen-air mixture, but it also increases the maximum explosion pressure, which is opposite to the satisfactory suppressing effect of the MAA product on the deflagration of hydrocarbon fuels such as methane. The results of this study provide a scientific basis for the effective prevention of explosion accidents with hydrogen and for the development of explosion-suppression products. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Modeling carbon emissions from urban traffic system using mobile monitoring.

    PubMed

    Sun, Daniel Jian; Zhang, Ying; Xue, Rui; Zhang, Yi

    2017-12-01

    Comprehensive analyses of urban traffic carbon emissions are critical in achieving low-carbon transportation. This paper started from the architecture design of a carbon emission mobile monitoring system using multiple sets of equipment and collected the corresponding data about traffic flow, meteorological conditions, vehicular carbon emissions and driving characteristics on typical roads in Shanghai and Wuxi, Jiangsu province. Based on these data, the emission model MOVES was calibrated and used with various sensitivity and correlation evaluation indices to analyze the traffic carbon emissions at microscopic, mesoscopic and macroscopic levels, respectively. The major factors that influence urban traffic carbon emissions were investigated, so that emission factors of CO, CO2 and HC were calculated by taking representative passenger cars as a case study. As a result, the urban traffic carbon emissions were assessed quantitatively, and the total amounts of CO, CO2 and HC emission from passenger cars in Shanghai were estimated as 76.95kt, 8271.91kt, and 2.13kt, respectively. Arterial roads were found as the primary line source, accounting for 50.49% carbon emissions. In additional to the overall major factors identified, the mobile monitoring system and carbon emission quantification method proposed in this study are of rather guiding significance for the further urban low-carbon transportation development. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Nucleation and electrolytic deposition of lead on model carbon electrodes

    NASA Astrophysics Data System (ADS)

    Cericola, D.; Spahr, M.

    2016-08-01

    There is a general consensus in the lead acid battery industry for the use of carbon additives as a functional component in the negative paste to boost the battery performance with regards to charge acceptance and cycle life especially for upcoming automotive and energy storage applications. Several mechanisms are discussed in the scientific literature and the affinity of the carbon surfaces to lead species seems to play a key role. With a set of experiments on model carbon electrodes we gave evidence to the fact that some carbon materials promote spontaneous nucleation of lead crystals. We propose a mechanism such that the carbon, as soon as in a lead containing environment, immobilizes some lead on its surface. Such immobilized lead acts as nucleation seed for the deposition of lead when a current is passed through the material. It is therefore possible to differentiate and select the carbon materials based on their ability to form nucleation seeds.

  12. Observatory enabled modeling of the Global Carbon Cycle

    NASA Astrophysics Data System (ADS)

    Schimel, D.; Fox, A. M.; Moore, D. J.; Sacks, W. J.; Berukoff, S. J.

    2011-12-01

    A central challenge to global modeling of the terrestrial carbon cycle is the scaling of organism-scale characteristics to large regions. Emerging ground- and space-based global observatories will allow coupling observations directly to state and parameter values in a state-of-the-art coupled carbon climate model. Model-data fusion will qualitatively improve understanding and forecasting of interannual to centennial scale responses of terrestrial ecosystems and carbon cycle to global environmental change. This modeling study will use the baseline measures of global terrestrial ecosystem biochemical composition to reduce uncertainty in forecasting E&CC responses to climate and land-use change. The NCAR Community Land Model (Community Land Model - Carbon/Nitrogen or CLM-CN) simulates carbon, water and energy exchange at the land surface and includes detailed parameters governing plant-mediated fluxes and storage NEON and NCAR are developing a data assimilation version of the CLM, designed to work with new observatory data. Data requirements of CLM are quite different from earlier generation land surface models because the nitrogen cycle is explicitly simulated. Nitrogen concentrations regulate plant photosynthesis and decomposition of dead organic matter but their within biome and global distributions are poorly constrained by observations. Developing a Observatory-enabled version of the CLM, and the cyberinfrastructure to support it creates a very different set of requirements for modeling and observatory information systems than traditional approaches. In the talk, we will discuss briefly the science of carbon data assimilation and the observing requirements it generates.

  13. Model Analysis of Vertical Carbon Export in a Mesocosm Experiment

    NASA Astrophysics Data System (ADS)

    Mathesius, S.

    2016-02-01

    Marine biogeochemical models can be improved by developing a deeper understanding of the necessary degree of model complexity, which includes for example the investigation of non-unique solutions in parameter optimization problems. The examination of uniqueness and uncertainties of optimal parameter estimates might disclose the relevance of individual processes. With our data based model analysis we will explore the possibility of explaining similar patterns in observations that could possibly be explained equally well by different parameter settings or even different parameterizations. Here, we show the results of an optimality based plankton ecosystem model (Carbon:Nitrogen-Regulated Ecosystem Model with Coccolithophores, CN-REcoM&Co). The model includes carbonate chemistry (with air-sea flux of carbon dioxide) and its setup was designed to simulate plankton dynamics observed during a mesocosm experiment (PeECE III, Bergen, Norway, 2005). A special model feature is the explicit consideration of extracellular gels that form from coagulation of algal exudates. These macrogels interact (aggregate) with detritus and become incorporated into sinking particles. In our analysis we focus on those parameters that affect photosynthesis, exudation of polysaccharides, grazing, particle aggregation and sinking. We will discuss how variations of these parameter values induce variability in chlorophyll a, dissolved inorganic carbon (DIC), and particulate organic carbon (POC) concentrations, as well as carbon export flux. Our primary concern is to disclose the uniqueness of the model solution that explains the observed DIC drawdown as well as the build-up and sinking loss of POC from the upper layers.

  14. Integrate carbon dynamic models in analyzing carbon sequestration impact of forest biomass harvest.

    PubMed

    Yan, Yan

    2017-10-05

    Biomass is an attractive natural energy resource for mitigating climate change. However, the loss of carbon sequestration as an ecosystem service due to biomass harvest has not been considered in previous studies. To assess the impact of biomass harvest on carbon sequestration, carbon dynamics in the forests and the atmosphere were integrated. The impact of forest biomass harvests on carbon sequestration was assessed based on the difference between carbon sequestration after harvest and carbon sequestration without harvest. A Chapman-Richards function and the forest vegetation simulator (FVS) were used to simulate the growth of a forest stand. The carbon dynamics in the atmosphere were simulated by the Bern2.5CC carbon cycle model. Characterization factors of the impact were calculated in three time horizons: 20-, 100- and 500-year. According to the simulations, postponement of harvest and low harvest intensity could prolong the compensation period. The annual impact on carbon sequestration was mostly negative over a short time and became positive in the end of compensation period. The highest characteristic factors of the impact on carbon sequestration were found in rotation length of 100years with the time horizon of 500-year in the Chapman-Richards simulation and in the lowest harvest intensity with the time horizon of 500-year in the FVS simulation. Based on the results, increasing growth rate, postponing harvest, reducing harvest intensity and increasing length of time horizon could reduce the impact of forest harvest on carbon sequestration. The method proposed in this study is more proper to assess the impact on carbon sequestration, and it has much wider applications in forest management practice. Copyright © 2017. Published by Elsevier B.V.

  15. Toward more realistic projections of soil carbon dynamics by Earth system models: SOIL CARBON MODELING

    SciTech Connect

    Luo, Yiqi; Ahlström, Anders; Allison, Steven D.; Batjes, Niels H.; Brovkin, Victor; Carvalhais, Nuno; Chappell, Adrian; Ciais, Philippe; Davidson, Eric A.; Finzi, Adien; Georgiou, Katerina; Guenet, Bertrand; Hararuk, Oleksandra; Harden, Jennifer W.; He, Yujie; Hopkins, Francesca; Jiang, Lifen; Koven, Charlie; Jackson, Robert B.; Jones, Chris D.; Lara, Mark J.; Liang, Junyi; McGuire, A. David; Parton, William; Peng, Changhui; Randerson, James T.; Salazar, Alejandro; Sierra, Carlos A.; Smith, Matthew J.; Tian, Hanqin; Todd-Brown, Katherine E. O.; Torn, Margaret; van Groenigen, Kees Jan; Wang, Ying Ping; West, Tristram O.; Wei, Yaxing; Wieder, William R.; Xia, Jianyang; Xu, Xia; Xu, Xiaofeng; Zhou, Tao

    2016-01-21

    Soil carbon (C) is a critical component of Earth system models (ESMs) and its diverse representations are a major source of the large spread across models in the terrestrial C sink from the 3rd to 5th assessment reports of the Intergovernmental Panel on Climate Change (IPCC). Improving soil C projections is of a high priority for Earth system modeling in the future IPCC and other assessments. To achieve this goal, we suggest that (1) model structures should reflect real-world processes, (2) parameters should be calibrated to match model outputs with observations, and (3) external forcing variables should accurately prescribe the environmental conditions that soils experience. Firstly, most soil C cycle models simulate C input from litter production and C release through decomposition. The latter process has traditionally been represented by 1st-order decay functions, regulated primarily by temperature, moisture, litter quality, and soil texture. While this formulation well captures macroscopic SOC dynamics, better understanding is needed of their underlying mechanisms as related to microbial processes, depth-dependent environmental controls, and other processes that strongly affect soil C dynamics. Secondly, incomplete use of observations in model parameterization is a major cause of bias in soil C projections from ESMs. Optimal parameter calibration with both pool- and flux-based datasets through data assimilation is among the highest priorities for near-term research to reduce biases among ESMs. Thirdly, external variables are represented inconsistently among ESMs, leading to differences in modeled soil C dynamics. We recommend the implementation of traceability analyses to identify how external variables and model parameterizations influence SOC dynamics in different ESMs. Overall, projections of the terrestrial C sink can be substantially improved when reliable datasets are available to select the most representative model structure, constrain parameters, and

  16. Black Carbon Measurement and Modeling in the Arabian Peninsula

    NASA Astrophysics Data System (ADS)

    Zawad, Faisal Al; Khoder, Mamdouh; Almazroui, Mansour; Alghamdi, Mansour; Lihavainen, Heikki; Hyvarinen, Antti; Henriksson, Svante

    2017-04-01

    Black carbon is an important atmospheric aerosol as an effective factor in public health, changing the global and regional climate, and reducing visibility. Black carbon absorbs light, warms the atmosphere, and modifies cloud droplets and the amount of precipitation. In spite of this significance, knowledge of black carbon over the Arabian Peninsula is hard to find in literature until recently. The total mass of black carbon and wind direction and speeds were measured continuously at Hada Al-Sham, Saudi Arabia for the year 2013. In addition, a state of the art global aerosol - climate model (ECHAM5-HAM) was used to determine black carbon climatology over the Arabian Peninsula. Simulation of the model was carried out for the years eight years (2004 - 2011). The daily mean values of the concentrations of black carbon had a minimum of 15.0 ng/m3 and a maximum of 6372 ng/m3 with a mean of at 1899 ng/m3. The diurnal pattern of black carbon showed higher values overnight, and steady low values during daytimes caused by sea and land breezes. Seasons of black carbon vary over the Arabian Peninsula, and the longest is in the Northern Region where it lasts from July to October. High concentrations of black carbon at Hada Al-Sham was observed with a mean of 1.9 µm/m3, and seasons of black carbon vary widely across the Arabian Peninsula. Assessment of the effects of black carbon over the Arabian Peninsula on the global radiation balance. Initiating a black carbon monitoring network is highly recommended to assess its impacts on health, environment, and climate.

  17. Atomistic modeling of carbon Cottrell atmospheres in bcc iron.

    PubMed

    Veiga, R G A; Perez, M; Becquart, C S; Domain, C

    2013-01-16

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  18. Model of carbon cycling in planktonic food webs

    SciTech Connect

    Connolly, J.P.; Coffin, R.B.

    1995-10-01

    A mathematical model of carbon fluxes through the heterotrophic microbial food web is developed from a synthesis of laboratory and field research. The basis of the model is the segregation of organic carbon into lability classes that are defined by bioassay experiments. Bacteria, phytoplankton, three trophic levels of zooplankton, and dissolved organic carbon (DOC) and particulate organic carbon (POC) are modeled. The descriptions of bacterial growth and utilization of the various classes of substrate were treated as universal constants in the application of the model to three distinct ecosystems, ranging from oligotrophic to highly eutrophic. The successful application of the model to these diverse ecosystems supports the basic validity of the description of the microbial food web and the dynamics of carbon flux. The model indicates that the dynamics of bacteria and protozoan zooplankton production govern the rates of oxidation of carbon entering the water column. Explicit consideration of these groups would improve the capability of eutrophication models to predict dissolved oxygen dynamics, particularly when projecting responses to loading changes.

  19. Multiwalled Carbon Nanotube Deposition on Model Environmental Surfaces

    EPA Science Inventory

    Deposition of multiwalled carbon nanotubes (MWNTs) on model environmental surfaces was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Deposition behaviors of MWNTs on positively and negatively charged surfaces were in good agreement with Der...

  20. Multiwalled Carbon Nanotube Deposition on Model Environmental Surfaces

    EPA Science Inventory

    Deposition of multiwalled carbon nanotubes (MWNTs) on model environmental surfaces was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Deposition behaviors of MWNTs on positively and negatively charged surfaces were in good agreement with Der...

  1. PULSATING REVERSE DETONATION MODELS OF TYPE Ia SUPERNOVAE. II. EXPLOSION

    SciTech Connect

    Bravo, Eduardo; Garcia-Senz, Domingo; Cabezon, Ruben M.; DomInguez, Inmaculada E-mail: domingo.garcia@upc.edu E-mail: inma@ugr.es

    2009-04-20

    Observational evidences point to a common explosion mechanism of Type Ia supernovae based on a delayed detonation of a white dwarf (WD). However, all attempts to find a convincing ignition mechanism based on a delayed detonation in a destabilized, expanding, white dwarf have been elusive so far. One of the possibilities that has been invoked is that an inefficient deflagration leads to pulsation of a Chandrasekhar-mass WD, followed by formation of an accretion shock that confines a carbon-oxygen rich core, while transforming the kinetic energy of the collapsing halo into thermal energy of the core, until an inward moving detonation is formed. This chain of events has been termed Pulsating Reverse Detonation (PRD). In this work, we present three-dimensional numerical simulations of PRD models from the time of detonation initiation up to homologous expansion. Different models characterized by the amount of mass burned during the deflagration phase, M {sub defl}, give explosions spanning a range of kinetic energies, K {approx} (1.0-1.2) x 10{sup 51} erg, and {sup 56}Ni masses, M({sup 56}Ni) {approx} 0.6-0.8 M {sub sun}, which are compatible with what is expected for typical Type Ia supernovae. Spectra and light curves of angle-averaged spherically symmetric versions of the PRD models are discussed. Type Ia supernova spectra pose the most stringent requirements on PRD models.

  2. Modelling carbon in permafrost soils from preindustrial to the future

    NASA Astrophysics Data System (ADS)

    Kleinen, T.; Brovkin, V.

    2015-12-01

    The carbon release from thawing permafrost soils constitutes one of the large uncertainties in the carbon cycle under future climate change. Analysing the problem further, this uncertainty results from an uncertainty about the total amount of C that is stored in frozen soils, combined with an uncertainty about the areas where soils might thaw under a particular climate change scenario, as well as an uncertainty about the decomposition product since some of the decomposed C might result the release of CH4 as well as CO2. We use the land surface model JSBACH, part of the Max Planck Institute Earth System Model MPI-ESM, to quantify the release of soil carbon from thawing permafrost soils. We have extended the soil carbon model YASSO by introducing carbon storages in frozen soils, with increasing fractions of C being available to decomposition as permafrost thaws. In order to quantify the amount of carbon released as CH4, as opposed to CO2, we have also implemented a TOPMODEL-based wetland scheme, as well as anaerobic C decomposition and methane transport. We initialise the soil C pools for the preindustrial climate state from the Northern Circumpolar Soil Carbon Database to insure initial C pool sizes close to measurements. We then determine changes in soil C storage in transient model experiments following historical and future climate changes under RCP 8.5. Based on these experiments, we quantify the greenhouse gas release from permafrost C decomposition, determining both CH4 and CO2 emissions.

  3. Review and developments of dissemination models for airborne carbon fibers

    NASA Technical Reports Server (NTRS)

    Elber, W.

    1980-01-01

    Dissemination prediction models were reviewed to determine their applicability to a risk assessment for airborne carbon fibers. The review showed that the Gaussian prediction models using partial reflection at the ground agreed very closely with a more elaborate diffusion analysis developed for the study. For distances beyond 10,000 m the Gaussian models predicted a slower fall-off in exposure levels than the diffusion models. This resulting level of conservatism was preferred for the carbon fiber risk assessment. The results also showed that the perfect vertical-mixing models developed herein agreed very closely with the diffusion analysis for all except the most stable atmospheric conditions.

  4. Empirically Modeling Carbon Fluxes over the Northern Great Plains Grasslands

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Wylie, B. K.; Ji, L.; Gilmanov, T.; Tieszen, L. L.

    2007-12-01

    Grasslands cover nearly one-fifth of the global terrestrial surface and store most of their carbon below ground. The grassland ecosystem in the Great Plains occupies over 1.5 million km2 of land area and is the primary resource for livestock production in North America. However, the contributions of grasslands to local and regional carbon budgets remain uncertain due to the lack of carbon flux data for the expansive grassland ecosystems under various managements, land uses, and climate variability. A quantitative understanding of carbon fluxes across these systems is essential for developing regional, national, and global carbon budgets and providing guidance to policy makers and managers when substantial conversion to biofuels are implemented. Additionally, these estimates will provide insights into how the grassland ecosystem will respond to future climate and what systems are sustainable and offer net carbon sinks. This knowledge base and decisions support tools are needed for developing land management strategies for the region under a variety of environmental conditions and land use options. In the past, we used a remote sensing-based piecewise regression (PWR) model to estimate the grassland carbon fluxes in the northern Great Plains using the 1-km SPOT VEGETATION normalized difference vegetation index (NDVI) data. We estimated the carbon fluxes through integrated spatial databases and remotely sensed extrapolations of flux tower data to regional scales. The PWR model was applied to derive an empirical relationship between environmental variables and tower-based measurements. The PWR equations were then applied through time and space to estimate carbon fluxes across the study area at 1-km resolution. We now improve this modeling approach by 1) using Moderate Resolution Imaging Spectroradiometer (MODIS) data with higher temporal, spatial, and spectral resolutions (8-day, 500-m, and 7-band) as input; 2) incorporating the actual vegetation evapotranspiration

  5. Isotropic simple global carbon model: The use of carbon isotopes for model development. Ph.D. Thesis

    SciTech Connect

    Kwon, O.Y.

    1994-01-01

    Carbon dioxide is a major greenhouse gas in the atmosphere. Anthropogenic CO2 emissions from fossil fuel use and deforestation have perturbed the natural global carbon cycle. As a result, the atmospheric CO2 concentration has rapidly increased, causing the potential for global warming. A twenty four compartment isotopic simple global carbon model (IS-GCM) has been developed for scenario analysis, research needs prioritization, and for recommending strategies to stabilize the atmospheric CO2 level. CO2 fertilization and temperature effects are included in the terrestrial biosphere, and the ocean includes inorganic chemistry which, with ocean water circulation, enables the calculation of time-variable oceanic carbon uptake. The eight compartment simple global carbon model (SGCM) served as the basis of the ISGCM model development. Carbon isotopes, C-13 (stable carbon) and C-14(radiocarbon), were used for model constraints as well as results from SGCM that led to multiple compartments in ISGCM. The ISGCM was calibrated with the observed CO2 concentrations, delta C-13, and Delta C-14 in the atmosphere, Delta C-14 in the soil and Delta C-14 in the ocean. Also, ISGCM was constrained by literature values of oceanic carbon uptake (gas exchange) and CO2 emissions from deforestation. Inputs (forcing functions in the model) were the CO2 emissions from fossil fuel use and deforestation. Scenario analysis, together with emission strategies tests, indicate that urgent action to reduce anthropogenic emissions would need to be taken to stabilize atmospheric CO2. Results showed that quantitatively, forest management is just as effective as the reduction of fossil fuel emissions in controlling atmospheric CO2. Sensitivity analysis of temperature feedback suggests that future global warming would cause an additional perturbation in the global-carbon cycle, resulting in depletion of soil organic carbon, accumulation of plant biomass, and the increase of atmospheric CO2.

  6. Global Carbon Cycle Modeling in GISS ModelE2 GCM

    NASA Astrophysics Data System (ADS)

    Aleinov, I. D.; Kiang, N. Y.; Romanou, A.; Romanski, J.

    2014-12-01

    Consistent and accurate modeling of the Global Carbon Cycle remains one of the main challenges for the Earth System Models. NASA Goddard Institute for Space Studies (GISS) ModelE2 General Circulation Model (GCM) was recently equipped with a complete Global Carbon Cycle algorithm, consisting of three integrated components: Ent Terrestrial Biosphere Model (Ent TBM), Ocean Biogeochemistry Module and atmospheric CO2 tracer. Ent TBM provides CO2 fluxes from the land surface to the atmosphere. Its biophysics utilizes the well-known photosynthesis functions of Farqhuar, von Caemmerer, and Berry and Farqhuar and von Caemmerer, and stomatal conductance of Ball and Berry. Its phenology is based on temperature, drought, and radiation fluxes, and growth is controlled via allocation of carbon from labile carbohydrate reserve storage to different plant components. Soil biogeochemistry is based on the Carnegie-Ames-Stanford (CASA) model of Potter et al. Ocean biogeochemistry module (the NASA Ocean Biogeochemistry Model, NOBM), computes prognostic distributions for biotic and abiotic fields that influence the air-sea flux of CO2 and the deep ocean carbon transport and storage. Atmospheric CO2 is advected with a quadratic upstream algorithm implemented in atmospheric part of ModelE2. Here we present the results for pre-industrial equilibrium and modern transient simulations and provide comparison to available observations. We also discuss the process of validation and tuning of particular algorithms used in the model.

  7. Frequency of deflagration in the in-tank precipitation process tanks due to loss of nitrogen purge system. Revision 2

    SciTech Connect

    Jansen, J.M.; Mason, C.L.; Olsen, L.M.; Shapiro, B.J.; Gupta, M.K.; Britt, T.E.

    1994-01-01

    High-level liquid wastes (HLLW) from the processing of nuclear material at the Savannah River Site (SRS) are stored in large tanks in the F- and H-Area tank farms. The In-Tank Precipitation (ITP) process is one step in the processing and disposal of HLLW. The process hazards review for the ITP identified the need to implement provisions that minimize deflagration/explosion hazards associated with the process. The objective of this analysis is to determine the frequency of a deflagration in Tank 48 and/or 49 due to nitrogen purge system failures (including external events) and coincident ignition source. A fault tree of the nitrogen purge system coupled with ignition source probability is used to identify dominant system failures that contribute to the frequency of deflagration. These system failures are then used in the recovery analysis. Several human actions, recovery actions, and repair activities are identified that reduce total frequency. The actions are analyzed and quantified as part of a Human Reliability Analysis (HRA). The probabilities of failure of these actions are applied to the fault tree cutsets and the event trees.

  8. Traceable components of terrestrial carbon storage capacity in biogeochemical models.

    PubMed

    Xia, Jianyang; Luo, Yiqi; Wang, Ying-Ping; Hararuk, Oleksandra

    2013-07-01

    Biogeochemical models have been developed to account for more and more processes, making their complex structures difficult to be understood and evaluated. Here, we introduce a framework to decompose a complex land model into traceable components based on mutually independent properties of modeled biogeochemical processes. The framework traces modeled ecosystem carbon storage capacity (Xss ) to (i) a product of net primary productivity (NPP) and ecosystem residence time (τE ). The latter τE can be further traced to (ii) baseline carbon residence times (τ'E ), which are usually preset in a model according to vegetation characteristics and soil types, (iii) environmental scalars (ξ), including temperature and water scalars, and (iv) environmental forcings. We applied the framework to the Australian Community Atmosphere Biosphere Land Exchange (CABLE) model to help understand differences in modeled carbon processes among biomes and as influenced by nitrogen processes. With the climate forcings of 1990, modeled evergreen broadleaf forest had the highest NPP among the nine biomes and moderate residence times, leading to a relatively high carbon storage capacity (31.5 kg cm(-2) ). Deciduous needle leaf forest had the longest residence time (163.3 years) and low NPP, leading to moderate carbon storage (18.3 kg cm(-2) ). The longest τE in deciduous needle leaf forest was ascribed to its longest τ'E (43.6 years) and small ξ (0.14 on litter/soil carbon decay rates). Incorporation of nitrogen processes into the CABLE model decreased Xss in all biomes via reduced NPP (e.g., -12.1% in shrub land) or decreased τE or both. The decreases in τE resulted from nitrogen-induced changes in τ'E (e.g., -26.7% in C3 grassland) through carbon allocation among plant pools and transfers from plant to litter and soil pools. Our framework can be used to facilitate data model comparisons and model intercomparisons via tracking a few traceable components for all terrestrial carbon

  9. Finite Element Micromechanics and Minimechanics Modeling of a Three- Dimensional Carbon-Carbon Composite Material

    DTIC Science & Technology

    1985-12-01

    9 2.4.1 Materials Science Corporation - DCAP .... ....... 9 2.4.2 Science Applications Inc. - APIC ... ......... ... 13 2.4.3...input material properties to a second level minimechanics analyses. 2.4 Minimechanics Analyses 2.4.1 Materials Science Corvoration - DCAP During the... DCAP , is probably the most versatile and useful predictive tool for modeling three-dimensional carbon-carbon composite materials developed to date

  10. In Situ Imaging of Particle Formation and Dynamics in Reactive Material Deflagrations

    SciTech Connect

    Sullivan, Kyle T.

    2016-12-12

    Reactive composites utilizing nanoparticles have been the topic of extensive research in the past two decades. The driver for this is that, as the particle size is decreased, the mixing scale between constituents is greatly reduced, which has long thought to increase the rate of chemical reaction. While a general trend of increased reactivity has been seen for metal / metal oxide, or thermite, reactive materials, some results have demonstrated diminishing returns as the particle size is further decreased. Recent results have shown that nanoparticles, which are typically aggregates of several primary particles, can undergo very rapid coalescence to form micron particles once a critical temperature is reached. Experiments on this topic to date have been performed on very small sample masses, and sometimes under vacuum; conditions which are not representative of the environment during a deflagration. In this feasibility study, a custom burn tube was used to ignite and react 100 mg powdered thermite samples in long acrylic tubes. X-ray imaging at APS Sector 32 was performed to image the particle field as a function of distance and time as the rarefied particle cloud expanded and flowed down the tube. Five different thermite formulations were investigated, Al / CuO, Al / Fe2O3, Al / SnO2, Al / WO3, and Al / Fe2O3, along with Al / CuO formulations with different sizes of Al particles ranging from 80 nm to approximate 10 μm. The results clearly show that the sample powder reacts and unloads into a distribution of larger micron-scale particles (~5-500 μm), which continue to react and propagate as the particle-laden stream flows down the tube. This was the first direct imaging of the particle field during a thermite deflagration, and gives significant insight into the evolution of reactants to products. Analysis of phase is currently being pursued to determine whether this method can be used to extract

  11. Simulation and modeling of carbon nanotube devices

    NASA Astrophysics Data System (ADS)

    Peng, Shu

    Carbon nanotubes (CNTs) are molecular wires that exhibit a number of exceptional chemical, electronic, and mechanical properties. Investigating on these properties and exploring conceptual usages of these properties in devices are conducted by using simulation tools ranging from molecular dynamics, tight-binding, to ab-initio simulations. Four major aspects of carbon nanotube devices are studied. First, we investigate the mechanism of using CNTs to detect the presence of chemical gases such as NO2, NH3, and O2. We discover that the process of NO2 gas sensing is not simply the process of adsorption and desorption of NO2 gas on the CNT surface, but rather it involves the complex process of NO2 gas molecule's reaction on the CNTs surface, which produce NO and NO3 molecules. These findings show that NO3 is the real agent behind the slow recovery of SWCNTs as sensing devices. We also conduct analysis on molecular adsorption on charged SWCNT by electric field manipulation. Secondly, to detect the presence of CO and water molecules that have long evaded the detection of intrinsic carbon nanotubes as sensing devices, we propose the design of a new breed of nanotube based sensor devices. These devices are developed by substitutional doping of the so-called impurity atoms (such as Boron, Nitrogen atoms) into intrinsic single wall carbon nanotubes, or by using composite BxCyNz nanotubes. Thirdly, the effects of flattening and bending on the size of the band gap in CNT are examined. Increasing cross-sectional flattening is found to initially close the band gap in semiconducting tubes, while ultimately re-opening the gap at high degrees of flattening. Using the properties of deformed nanotubes, a simple design for a CNT based quantum well device is proposed. Finally, interactions of metal atoms (Al, Ti) with semiconducting single walled carbon nanotube (SWCNT) are investigated. Comparison of the energetics of these metal atoms on (8,0) CNT surface shows significant differences

  12. Practical modeling approaches for geological storage of carbon dioxide.

    PubMed

    Celia, Michael A; Nordbotten, Jan M

    2009-01-01

    The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

  13. Carbon-nitrogen-water interactions: is model parsimony fruitful?

    NASA Astrophysics Data System (ADS)

    Puertes, Cristina; González-Sanchis, María; Lidón, Antonio; Bautista, Inmaculada; Lull, Cristina; Francés, Félix

    2017-04-01

    It is well known that carbon and nitrogen cycles are highly intertwined and both should be explained through the water balance. In fact, in water-controlled ecosystems nutrient deficit is related to this water scarcity. For this reason, the present study compares the capability of three models in reproducing the interaction between the carbon and nitrogen cycles and the water cycle. The models are BIOME-BGCMuSo, LEACHM and a simple carbon-nitrogen model coupled to the hydrological model TETIS. Biome-BGCMuSo and LEACHM are two widely used models that reproduce the carbon and nitrogen cycles adequately. However, their main limitation is that these models are quite complex and can be too detailed for watershed studies. On the contrary, the TETIS nutrient sub-model is a conceptual model with a vertical tank distribution over the active soil depth, dividing it in two layers. Only the input of the added litter and the losses due to soil respiration, denitrification, leaching and plant uptake are considered as external fluxes. Other fluxes have been neglected. The three models have been implemented in an experimental plot of a semi-arid catchment (La Hunde, East of Spain), mostly covered by holm oak (Quercus ilex). Plant transpiration, soil moisture and runoff have been monitored daily during nearly two years (26/10/2012 to 30/09/2014). For the same period, soil samples were collected every two months and taken to the lab in order to obtain the concentrations of dissolved organic carbon, microbial biomass carbon, ammonium and nitrate. In addition, between field trips soil samples were placed in PVC tubes with resin traps and were left incubating (in situ buried cores). Thus, mineralization and nitrification accumulated fluxes for two months, were obtained. The ammonium and nitrate leaching accumulated for two months were measured using ion-exchange resin cores. Soil respiration was also measured every field trip. Finally, water samples deriving from runoff, were collected

  14. Tracking Inter-Regional Carbon Flows: A Hybrid Network Model.

    PubMed

    Chen, Shaoqing; Chen, Bin

    2016-05-03

    The mitigation of anthropogenic carbon emissions has moved beyond the local scale because they diffuse across boundaries, and the consumption that triggers emissions has become regional and global. A precondition of effective mitigation is to explicitly assess inter-regional transfer of emissions. This study presents a hybrid network model to track inter-regional carbon flows by combining network analysis and input-output analysis. The direct, embodied, and controlled emissions associated with regions are quantified for assessing various types of carbon flow. The network-oriented metrics called "controlled emissions" is proposed to cover the amount of carbon emissions that can be mitigated within a region by adjusting its consumption. The case study of the Jing-Jin-Ji Area suggests that CO2 emissions embodied in products are only partially controlled by a region from a network perspective. Controlled carbon accounted for about 70% of the total embodied carbon flows, while household consumption only controlled about 25% of Beijing's emissions, much lower than its proportion of total embodied carbon. In addition to quantifying emissions, the model can pinpoint the dominant processes and sectors of emissions transfer across regions. This technique is promising for searching efficient pathways of coordinated emissions control across various regions connected by trade.

  15. Using Radiocarbon to Test Models of Ecosystem Carbon Cycling

    NASA Astrophysics Data System (ADS)

    Trumbore, S.; Lin, H.; Randerson, J.

    2007-05-01

    The radiocarbon content of carbon stored in and respired by ecosystems provides a direct measure of ecosystem carbon dynamics that can be directly compared to model predictions. Because carbon cycles through ecosystems on a variety of timescales, the mean age of C in standing biomass and soil organic matter pools is older than the mean age of microbially respired carbon. In turn, each pathway for C transit through ecosystems my respond differently to edaphic conditions; for example, soil organic matter mean age is controlled by factors affecting stabilization of C on very long timescales, such as mineralogy, while a factor like litter quality that effects decomposition rates reflects vegetation and climate characteristics. We compare the radiocarbon signature of heterotrophically respired CO2 across a number of ecosystems with models predicted using the CASA ecosystem model. The major controls of microbially respired CO2 from ecosystems include the residence time of C in living plant pools (i.e. the age of C in litter inputs to soil) and factors that control decomposition rates (litter quality and climate). Major differences between model and measured values at low latitudes are related to how woody debris pools are treated differently in models and measurements. The time lag between photosynthesis and respiration is a key ecosystem property that defines its potential to store or release carbon given variations in annual net primary production. Radiocarbon provides a rare case where models can be directly compared with measurements to provide a test of this parameter.

  16. Nano-QSPR Modelling of Carbon-Based Nanomaterials Properties.

    PubMed

    Salahinejad, Maryam

    2015-01-01

    Evaluation of chemical and physical properties of nanomaterials is of critical importance in a broad variety of nanotechnology researches. There is an increasing interest in computational methods capable of predicting properties of new and modified nanomaterials in the absence of time-consuming and costly experimental studies. Quantitative Structure- Property Relationship (QSPR) approaches are progressive tools in modelling and prediction of many physicochemical properties of nanomaterials, which are also known as nano-QSPR. This review provides insight into the concepts, challenges and applications of QSPR modelling of carbon-based nanomaterials. First, we try to provide a general overview of QSPR implications, by focusing on the difficulties and limitations on each step of the QSPR modelling of nanomaterials. Then follows with the most significant achievements of QSPR methods in modelling of carbon-based nanomaterials properties and their recent applications to generate predictive models. This review specifically addresses the QSPR modelling of physicochemical properties of carbon-based nanomaterials including fullerenes, single-walled carbon nanotube (SWNT), multi-walled carbon nanotube (MWNT) and graphene.

  17. A carbon balance model for the great dismal swamp ecosystem

    USGS Publications Warehouse

    Sleeter, Rachel; Sleeter, Benjamin M.; Williams, Brianna; Hogan, Dianna; Hawbaker, Todd J.; Zhu, Zhiliang

    2017-01-01

    BackgroundCarbon storage potential has become an important consideration for land management and planning in the United States. The ability to assess ecosystem carbon balance can help land managers understand the benefits and tradeoffs between different management strategies. This paper demonstrates an application of the Land Use and Carbon Scenario Simulator (LUCAS) model developed for local-scale land management at the Great Dismal Swamp National Wildlife Refuge. We estimate the net ecosystem carbon balance by considering past ecosystem disturbances resulting from storm damage, fire, and land management actions including hydrologic inundation, vegetation clearing, and replanting.ResultsWe modeled the annual ecosystem carbon stock and flow rates for the 30-year historic time period of 1985–2015, using age-structured forest growth curves and known data for disturbance events and management activities. The 30-year total net ecosystem production was estimated to be a net sink of 0.97 Tg C. When a hurricane and six historic fire events were considered in the simulation, the Great Dismal Swamp became a net source of 0.89 Tg C. The cumulative above and below-ground carbon loss estimated from the South One and Lateral West fire events totaled 1.70 Tg C, while management activities removed an additional 0.01 Tg C. The carbon loss in below-ground biomass alone totaled 1.38 Tg C, with the balance (0.31 Tg C) coming from above-ground biomass and detritus.ConclusionsNatural disturbances substantially impact net ecosystem carbon balance in the Great Dismal Swamp. Through alternative management actions such as re-wetting, below-ground biomass loss may have been avoided, resulting in the added carbon storage capacity of 1.38 Tg. Based on two model assumptions used to simulate the peat system, (a burn scar totaling 70 cm in depth, and the soil carbon accumulation rate of 0.36 t C/ha−1/year−1 for Atlantic white cedar), the total soil carbon loss from the

  18. Modeled carbon respiration of microbial communities with explicit enzyme representation

    NASA Astrophysics Data System (ADS)

    Todd-Brown, K. E.; Allison, S. D.

    2009-12-01

    Most carbon cycling models do not represent microbial biomass and extracellular enzymes directly. We previously introduced a partial differential equation and agent-based model to investigate dynamics of microbial decomposers and carbon respiration. In this model we explored the respiration rate of a microbial community comprised of producers (microbes that secrete foraging enzymes) and cheaters (microbes that do not secrete enzymes but benefit from them) The inclusion of cheaters reduced the producer population, which in turn reduced the amount of enzyme in the system and slowed the conversion of substrate into product. This limited the overall biomass and reduced the amount of CO2 released by the system. Here we introduce an analogous ordinary differential equation model for well-mixed systems, such as chemostats and aquatic or marine environments. We tested this model against experimental data from communities of Pseudomonas bacteria that produce protease enzymes. We found that the new model matches the experimental data and hypothesize that diffusion would reduce the expected respiration rate in diffusion-limited systems, such as soils or agar plates,. Our models suggest that enzyme producers grow more slowly due to the added energetic burden of enzyme production. Furthermore, mixed cheater/producer communities are less efficient at mineralizing carbon substrates than pure producer populations. Diffusion of enzymes through the system plays a key role in reducing the overall respiration rate. These results have potential implications for soil and aquatic carbon models, suggesting that both microbial biomass and community composition should be explicitly represented. If community composition is ignored, then there could be a systematic overestimation of the carbon respired from the system. Our results emphasize that mechanistic modeling of microbial communities can improve prediction of carbon cycling under varying environmental conditions.

  19. Inorganic carbon dominates total dissolved carbon concentrations and fluxes in British rivers: Application of the THINCARB model - Thermodynamic modelling of inorganic carbon in freshwaters.

    PubMed

    Jarvie, Helen P; King, Stephen M; Neal, Colin

    2017-01-01

    River water-quality studies rarely measure dissolved inorganic carbon (DIC) routinely, and there is a gap in our knowledge of the contributions of DIC to aquatic carbon fluxes and cycling processes. Here, we present the THINCARB model (THermodynamic modelling of INorganic CARBon), which uses widely-measured determinands (pH, alkalinity and temperature) to calculate DIC concentrations, speciation (bicarbonate, HCO3(-); carbonate, CO3(2-); and dissolved carbon dioxide, H2CO3(⁎)) and excess partial pressures of carbon dioxide (EpCO2) in freshwaters. If calcium concentration measurements are available, THINCARB also calculates calcite saturation. THINCARB was applied to the 39-year Harmonised Monitoring Scheme (HMS) dataset, encompassing all the major British rivers discharging to the coastal zone. Model outputs were combined with the HMS dissolved organic carbon (DOC) datasets, and with spatial land use, geology, digital elevation and hydrological datasets. We provide a first national-scale evaluation of: the spatial and temporal variability in DIC concentrations and fluxes in British rivers; the contributions of DIC and DOC to total dissolved carbon (TDC); and the contributions to DIC from HCO3(-) and CO3(2-) from weathering sources and H2CO3(⁎) from microbial respiration. DIC accounted for >50% of TDC concentrations in 87% of the HMS samples. In the seven largest British rivers, DIC accounted for an average of 80% of the TDC flux (ranging from 57% in the upland River Tay, to 91% in the lowland River Thames). DIC fluxes exceeded DOC fluxes, even under high-flow conditions, including in the Rivers Tay and Tweed, draining upland peaty catchments. Given that particulate organic carbon fluxes from UK rivers are consistently lower than DOC fluxes, DIC fluxes are therefore also the major source of total carbon fluxes to the coastal zone. These results demonstrate the importance of accounting for DIC concentrations and fluxes for quantifying carbon transfers from land

  20. Graphical modelling of carbon nanotube field effect transistor

    NASA Astrophysics Data System (ADS)

    Sahoo, R.; Mishra, R. R.

    2015-02-01

    Carbon nanotube Field Effect Transistors (CNTFET) are found to be one of the most promising successors to conventional Si-MOSFET. This paper presents a novel modelling for planar CNTFET based on curve fitting method. The results obtained from the model are compared with the simulated results obtained by using the nanohub simulator. Finally the accuracy of the model is discussed by calculating the normalized root mean square difference between the nanohub simulation results and those obtained from the proposed model.

  1. Comparison of kinetic theory models of laser ablation of carbon

    SciTech Connect

    Shusser, Michael

    2010-05-15

    The paper compares the predictions of three-dimensional kinetic theory models of laser ablation of carbon. All the models are based on the moment solution of the Boltzmann equation for arbitrary strong evaporation but use different approximations. Comparison of the model predictions demonstrated that the choice of the particular model has very little influence on the results. The influence of the heat conduction from the gas to the solid phase was also found to be negligible in this problem.

  2. Tantalum dust deflagration in a bag filter dust-collecting device.

    PubMed

    Matsuda, T; Yamaguma, M

    2000-10-02

    An accidental tantalum powder deflagration with casualties occurred during the operation of a bag filter dust-collecting device. To understand the mechanism of the incident and its material hazards, experiments for determining the combustibility and ignition characteristics of the tantalum powder were performed. The magnitude of the tantalum dust explosion is classified as severe (K(st)=273), contrary to the classification found in the preceding literature. The minimum ignition energies for both a dust cloud and a dust layer of the tantalum powder were also found to be far lower than previous values. Judging from the observation of the surface with an SEM, the coral-like structure of each particle of the tantalum powder can enhance its fire and explosion hazards and affect its sensitivity to electrostatic sparks by increasing in particle surface area. A thin, non-conductive oxide layer of the tantalum powder surface has a high resistivity and generates electrostatic charge when rubbed with conductive materials like the wall of the collecting device. The authors conclude that the possible cause of the ignition was electrostatic discharge resulting from charging electrostatically.

  3. [Instantaneous emission spectra of epoxypropane in the process of deflagration to detonation transition].

    PubMed

    Li, Ping; Yuan, Chang-ying; Hu, Dong; Liu, Jun-chao; Zhu-mei, Sun; Dong, Shi; Xiao, Hai-bo

    2004-07-01

    Using an intensified CCD spectroscopic detector (Princeton Instruments, ICCD PI-Max 1024 RB) which can be gated in as little as 5 ns, the synchronization of the measuring system was controlled by a digital delay generator (Stanford Research Systems, DG535), the DG535 was triggered externally by a lab-made electrical pulse generator which transformed the optical trigger signal to an electrical signal, and the light signal from the end window of an explosion shock tube was delivered by an 1 mm in diameter plastic optical fiber to the entrance slit of the spectrometer (grating of 150 g x mm(-1) , central wavelength of 550 nm). The spectrum measurement of the epoxypropane in the process of deflagration to detonation transition (DDT) was then made. The instantaneous emission spectra of epoxypropane at different time of the DDT process with an exposure time of several microseconds were acquired. Results show that at the beginning of the DDT process, the emitted light was very weak and the line spectra of atoms were observed mainly; in the middle process of the DDT, the emitted light became strong and the spectra observed consisted of line spectra of atoms, band spectra of molecules plus continuous spectrum of the thermal radiation; when the detonation was formed, the emitted light got very strong, and the spectra acquired consisted of both line spectra of atoms and band spectra of molecules superimposed on the strong continuum of the thermal radiation.

  4. Mechanisms of deflagration-to-detonation transition under initiation by high-voltage nanosecond discharges

    SciTech Connect

    Rakitin, Aleksandr E.; Starikovskii, Andrei Yu.

    2008-10-15

    An experimental study of detonation initiation in a stoichiometric propane-oxygen mixture by a high-voltage nanosecond gas discharge was performed in a detonation tube with a single-cell discharge chamber. The discharge study performed in this geometry showed that three modes of discharge development were realized under the experimental conditions: a spark mode with high-temperature channel formation, a streamer mode with nonuniform gas excitation, and a transient mode. Under spark and transient initiation, simultaneous ignition inside the discharge channel occurred, forming a shock wave and leading to a conventional deflagration-to-detonation transition (DDT) via an adiabatic explosion. The DDT length and time at 1 bar of initial pressure in the square smooth tube with a 20-mm transverse size amounted to 50 mm and 50{mu}s, respectively. The streamer mode of discharge development at an initial pressure of 1 bar resulted in nonuniform mixture excitation and a successful DDT via a gradient mechanism, which was confirmed by high-speed time resolved ICCD imaging. The gradient mechanism implied a longer DDT time of 150{mu}s, a DDT run-up distance of 50 mm, and an initiation energy of 1 J, which is two orders of magnitude less than the direct initiation energy for a planar detonation under these conditions. (author)

  5. Measurement of the flow properties within a copper tube containing a deflagrating explosive

    SciTech Connect

    Hill, Larry G; Morris, John S; Jackson, Scott I

    2009-01-01

    We report on the propagation of deflagration waves in the high explosive (HE) PBX 9501 (95 wt % HMX, 5 wt% binder). Our test configuration, which we call the def1agration cylinder test (DFCT), is fashioned after the detonation cylinder test (DTCT) that is used to calibrate the JWL detonation product equation of state (EOS). In the DFCT, the HE is heated to a uniform slightly subcritical temperature, and is ignited at one end by a hot wire. For some configurations and initial conditions, we observe a quasi-steady wave that flares the tube into a funnel shape, stretching it to the point of rupture. This behavior is qualitatively like the DTCT, such that, by invoking certain additional approximations that we discuss, its behavior can be analyzed by the same methods. We employ an analysis proposed by G.I. Taylor to infer the pressure-volume curve for the burning, expanding flow. By comparing this result to the EOS of HMX product gas alone. we infer that only {approx}20 wt% of the HMX has burned at tube rupture. This result confirms pre-existing observations about the role of convective burning in HMX cookoff explosions.

  6. Fast and slow magnetic deflagration fronts in type I X-ray bursts

    NASA Astrophysics Data System (ADS)

    Cavecchi, Yuri; Levin, Yuri; Watts, Anna L.; Braithwaite, Jonathan

    2016-06-01

    Type I X-ray bursts are produced by thermonuclear runaways that develop on accreting neutron stars. Once one location ignites, the flame propagates across the surface of the star. Flame propagation is fundamental in order to understand burst properties like rise time and burst oscillations. Previous work quantified the effects of rotation on the front, showing that the flame propagates as a deflagration and that the front strongly resembles a hurricane. However, the effect of magnetic fields was not investigated, despite the fact that magnetic fields strong enough to have an effect on the propagating flame are expected to be present on many bursters. In this paper, we show how the coupling between fluid layers introduced by an initially vertical magnetic field plays a decisive role in determining the character of the fronts that are responsible for the type I bursts. In particular, on a star spinning at 450 Hz (typical among the bursters), we test seed magnetic fields of 107-1010 G and find that for the medium fields the magnetic stresses that develop during the burst can speed up the velocity of the burning front, bringing the simulated burst rise time close to the observed values. By contrast, in a magnetic slow rotator like IGR J17480-2446, spinning at 11 Hz, a seed field ≳109 G is required to allow localized ignition and the magnetic field plays an integral role in generating the burst oscillations observed during the bursts.

  7. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    SciTech Connect

    Khokhlov, Alexei; Austin, Joanna; Bacon, C.

    2015-03-02

    Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagration-to-detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H2 + O2). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratory, currently the fourth fastest super-computer in the world.

  8. Influence of Sublimation and Pyrolysis on Quasi-Steady Deflagrations in Confined Porous Energetic Materials

    SciTech Connect

    Stephen B. Margolis; Alexander M. Telengator

    2001-03-01

    Deflagrations in porous energetic materials under confinement are generally characterized by a relatively rapid increase in the burning rate as the pressure difference, or overpressure, in the burned-gas region relative to that deep within the pores of the unburned solid increases. Specifically, there appears to be a range of overpressures in which the sensitivity, or slope, of the propagation speed as a function of overpressure transitions from relatively small to large values. This effect has been qualitatively attributed to the fact that a sufficient overpressure reverses the gas flow and thus allows the burned gas to permeate, and therefore preheat, the porous material. However, quantitative descriptions of both the process itself and the corresponding burning-rate dependencies have only recently been achieved. The present work reflects a further refinement in this analytical description in that the melt layer, which underlies several previous studies and is likely to exist only at modest overpressures, is replaced by sublimation and pyrolysis at the material surface, followed by an attached gas flame that converts the unburned gaseous reactants to final products. As a result, gaseous reactants as well as products now permeate the porous solid, thereby affecting the propagation speed significantly and modifying both the combustion-wave structure and the transition to convection-enhanced burning.

  9. Numerical simulation of deflagration-to-detonation transition by coupled flame tracking - particle method

    NASA Astrophysics Data System (ADS)

    Frolov, S. M.; Ivanov, V. S.

    2011-10-01

    The objective of the study outlined in this paper was to develop the computationally efficient algorithm for multidimensional numerical simulation of deflagration-to-detonation transition (DDT) in gas-fueled airbreathing pulse detonation engine (PDE). It is implied that the availability of such an algorithm will allow for more realistic estimates of PDE performances (specific impulse, thrust, etc.) than those obtained with the presumption of direct detonation initiation. The new algorithm is based on the coupled Flame Tracking - Particle (FTP) method implemented into the standard Computational Fluid Dynamics (CFD) code solving the Reynolds Averaged Navier-Stokes equations by the control-volume technique. The coupled methodology has been applied to the two-dimensional (2D) numerical simulation of repeatable DDT in a propane-fueled PDE at Mach 3.0 flight conditions at altitudes 9.3 and 16 km. The fuel-based specific impulse was estimated as 1700-1800 s. The DDT was shown to be a feasible approach for practical PDEs.

  10. Analytical modeling of glucose biosensors based on carbon nanotubes

    PubMed Central

    2014-01-01

    In recent years, carbon nanotubes have received widespread attention as promising carbon-based nanoelectronic devices. Due to their exceptional physical, chemical, and electrical properties, namely a high surface-to-volume ratio, their enhanced electron transfer properties, and their high thermal conductivity, carbon nanotubes can be used effectively as electrochemical sensors. The integration of carbon nanotubes with a functional group provides a good and solid support for the immobilization of enzymes. The determination of glucose levels using biosensors, particularly in the medical diagnostics and food industries, is gaining mass appeal. Glucose biosensors detect the glucose molecule by catalyzing glucose to gluconic acid and hydrogen peroxide in the presence of oxygen. This action provides high accuracy and a quick detection rate. In this paper, a single-wall carbon nanotube field-effect transistor biosensor for glucose detection is analytically modeled. In the proposed model, the glucose concentration is presented as a function of gate voltage. Subsequently, the proposed model is compared with existing experimental data. A good consensus between the model and the experimental data is reported. The simulated data demonstrate that the analytical model can be employed with an electrochemical glucose sensor to predict the behavior of the sensing mechanism in biosensors. PMID:24428818

  11. An Urban Diffusion Simulation Model for Carbon Monoxide

    ERIC Educational Resources Information Center

    Johnson, W. B.; And Others

    1973-01-01

    A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)

  12. Modeling carbon and nitrogen biogeochemistry in forest ecosystems

    Treesearch

    Changsheng Li; Carl Trettin; Ge Sun; Steve McNulty; Klaus Butterbach-Bahl

    2005-01-01

    A forest biogeochemical model, Forest-DNDC, was developed to quantify carbon sequestration in and trace gas emissions from forest ecosystems. Forest-DNDC was constructed by integrating two existing moels, PnET and DNDC, with several new features including nitrification, forest litter layer, soil freezing and thawing etc, PnET is a forest physiological model predicting...

  13. An Urban Diffusion Simulation Model for Carbon Monoxide

    ERIC Educational Resources Information Center

    Johnson, W. B.; And Others

    1973-01-01

    A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)

  14. Effect of a nitrogen-carbon interaction on terrestrial carbon fluxes estimated by biosphere model

    NASA Astrophysics Data System (ADS)

    Sasai, T.; Yamaguchi, Y.

    2007-12-01

    It is important for the global warming to accurately understand the terrestrial carbon fluxes at global scale. Estimating spatial and temporal patterns in the carbon fluxes, recently, many global biosphere models were proposed and developed. However, since the model analyses have always some uncertainties. One of the major uncertainties is an effect of nitrogen cycle on the carbon cycle, as nitrogen largely controls carbon dynamics as plant and soil microbe nutrients. A goal of this study is to investigate the effect of terrestrial carbon-nitrogen interaction on NPP using new biosphere model. Firstly, a new nitrogen cycle model was constructed including twelve main nitrogen flows (nitrogen fixation, deposition, nitrifications, volatilization, nitrate leaching, plant uptake, allocation, translocation, retranslocation, soil organic and inorganic nitrogen dynamics), and fourteen pools (three biomass, four litter fall, five soil organic, and two inorganic). Secondly, the nitrogen model was integrated to the existing biosphere model, BEAMS (Biosphere model integrating Eco-physiological And Mechanistic approaches using Satellite data) [Sasai et al., 2005, 2007]. The new biosphere model was run for 20 years (1982-2001) at a global scale. The inputs datasets used were NCEP/NCAR re-analysis and fPAR/LAI based on NOAA/AVHRR produced by Boston University. The two-dimensional distributions of monthly GPP and NPP were calculated. And, the GPP estimates by the original and new BEAMS were compared with ground measurements at flux-tower sites. We compared seasonal changes in GPP between the new model and eddy covariance measurements at flux sites. As a result, the GPP estimates had good agreement with the GPP measurements (r2 = 0.91). In view of a comparison in GPP between the measurements and the original BEAMS (r2 = 0.84), the new model is better than the original BEAMS. Especially, we could observe an indisputable improvement of the new model on a seasonal change in the growing

  15. Underestimation of boreal soil carbon stocks by mathematical soil carbon models linked to soil nutrient status

    NASA Astrophysics Data System (ADS)

    Ťupek, Boris; Ortiz, Carina A.; Hashimoto, Shoji; Stendahl, Johan; Dahlgren, Jonas; Karltun, Erik; Lehtonen, Aleksi

    2016-08-01

    Inaccurate estimate of the largest terrestrial carbon pool, soil organic carbon (SOC) stock, is the major source of uncertainty in simulating feedback of climate warming on ecosystem-atmosphere carbon dioxide exchange by process-based ecosystem and soil carbon models. Although the models need to simplify complex environmental processes of soil carbon sequestration, in a large mosaic of environments a missing key driver could lead to a modeling bias in predictions of SOC stock change.We aimed to evaluate SOC stock estimates of process-based models (Yasso07, Q, and CENTURY soil sub-model v4) against a massive Swedish forest soil inventory data set (3230 samples) organized by a recursive partitioning method into distinct soil groups with underlying SOC stock development linked to physicochemical conditions.For two-thirds of measurements all models predicted accurate SOC stock levels regardless of the detail of input data, e.g., whether they ignored or included soil properties. However, in fertile sites with high N deposition, high cation exchange capacity, or moderately increased soil water content, Yasso07 and Q models underestimated SOC stocks. In comparison to Yasso07 and Q, accounting for the site-specific soil characteristics (e. g. clay content and topsoil mineral N) by CENTURY improved SOC stock estimates for sites with high clay content, but not for sites with high N deposition.Our analysis suggested that the soils with poorly predicted SOC stocks, as characterized by the high nutrient status and well-sorted parent material, indeed have had other predominant drivers of SOC stabilization lacking in the models, presumably the mycorrhizal organic uptake and organo-mineral stabilization processes. Our results imply that the role of soil nutrient status as regulator of organic matter mineralization has to be re-evaluated, since correct SOC stocks are decisive for predicting future SOC change and soil CO2 efflux.

  16. Mechanical testing and modelling of carbon-carbon composites for aircraft disc brakes

    NASA Astrophysics Data System (ADS)

    Bradley, Luke R.

    The objective of this study is to improve the understanding of the stress distributions and failure mechanisms experienced by carbon-carbon composite aircraft brake discs using finite element (FE) analyses. The project has been carried out in association with Dunlop Aerospace as an EPSRC CASE studentship. It therefore focuses on the carbon-carbon composite brake disc material produced by Dunlop Aerospace, although it is envisaged that the approach will have broader applications for modelling and mechanical testing of carbon-carbon composites in general. The disc brake material is a laminated carbon-carbon composite comprised of poly(acrylonitrile) (PAN) derived carbon fibres in a chemical vapour infiltration (CVI) deposited matrix, in which the reinforcement is present in both continuous fibre and chopped fibre forms. To pave the way for the finite element analysis, a comprehensive study of the mechanical properties of the carbon-carbon composite material was carried out. This focused largely, but not entirely, on model composite materials formulated using structural elements of the disc brake material. The strengths and moduli of these materials were measured in tension, compression and shear in several orientations. It was found that the stress-strain behaviour of the materials were linear in directions where there was some continuous fibre reinforcement, but non-linear when this was not the case. In all orientations, some degree of non-linearity was observed in the shear stress-strain response of the materials. However, this non-linearity was generally not large enough to pose a problem for the estimation of elastic moduli. Evidence was found for negative Poisson's ratio behaviour in some orientations of the material in tension. Additionally, the through-thickness properties of the composite, including interlaminar shear strength, were shown to be positively related to bulk density. The in-plane properties were mostly unrelated to bulk density over the range of

  17. A carbon footprint simulation model for the cork oak sector.

    PubMed

    Demertzi, Martha; Paulo, Joana Amaral; Arroja, Luís; Dias, Ana Cláudia

    2016-10-01

    In the present study, a simulation model for the calculation of the carbon footprint of the cork oak sector (CCFM) is developed for the first time. A life cycle approach is adopted including the forest management, manufacturing, use and end-of-life stages. CCFM allows the user to insert the cork type used as raw material and its respective quantity and the distances in-between the various stages. The user can choose among different end-of-life destination options for the used cork products. The option of inserting different inputs, allows the use of the present simulation model for different cork oak systems, in different countries and with different conditions. CCFM allows the identification of the stages and products with the greatest carbon footprint and thus, a better management of the sector from an environmental perspective. The Portuguese cork oak sector is used as an application example of the model. The results obtained showed that the agglomeration industry is the hotspot for the carbon footprint of the cork sector mainly due to the production of the resins that are mixed with the cork granules for the production of agglomerated cork products. The consideration of the biogenic carbon emissions and sequestration of carbon at the forest in the carbon footprint, resulted to a great decrease of the sector's carbon footprint. Future actions for improvement are suggested in order to decrease the carbon footprint of the entire cork sector. It was found that by decreasing by 10% the emission factor of the agglomeration and transformation industries, substituting the transport trucks by more recent ones and by decreasing by 10% the cork products reaching the landfilling end-of-life destinations (while increasing the quantities reaching incineration and recycling), a decrease of the total CF (excluding the biogenic emissions and sequestration) of the entire cork industry by 10% can be achieved.

  18. Elevated temperature alters carbon cycling in a model microbial community

    NASA Astrophysics Data System (ADS)

    Mosier, A.; Li, Z.; Thomas, B. C.; Hettich, R. L.; Pan, C.; Banfield, J. F.

    2013-12-01

    Earth's climate is regulated by biogeochemical carbon exchanges between the land, oceans and atmosphere that are chiefly driven by microorganisms. Microbial communities are therefore indispensible to the study of carbon cycling and its impacts on the global climate system. In spite of the critical role of microbial communities in carbon cycling processes, microbial activity is currently minimally represented or altogether absent from most Earth System Models. Method development and hypothesis-driven experimentation on tractable model ecosystems of reduced complexity, as presented here, are essential for building molecularly resolved, benchmarked carbon-climate models. Here, we use chemoautotropic acid mine drainage biofilms as a model community to determine how elevated temperature, a key parameter of global climate change, regulates the flow of carbon through microbial-based ecosystems. This study represents the first community proteomics analysis using tandem mass tags (TMT), which enable accurate, precise, and reproducible quantification of proteins. We compare protein expression levels of biofilms growing over a narrow temperature range expected to occur with predicted climate changes. We show that elevated temperature leads to up-regulation of proteins involved in amino acid metabolism and protein modification, and down-regulation of proteins involved in growth and reproduction. Closely related bacterial genotypes differ in their response to temperature: Elevated temperature represses carbon fixation by two Leptospirillum genotypes, whereas carbon fixation is significantly up-regulated at higher temperature by a third closely related genotypic group. Leptospirillum group III bacteria are more susceptible to viral stress at elevated temperature, which may lead to greater carbon turnover in the microbial food web through the release of viral lysate. Overall, this proteogenomics approach revealed the effects of climate change on carbon cycling pathways and other

  19. Belize model, a carbonate-clastic shelf buildup

    SciTech Connect

    Shepard, W.

    1987-05-01

    Belize, a small Central American country located on the Caribbean Sea south of the Yucatan Peninsula, offers an excellent modern analog of a mixed carbonate/clastic shelf buildup. Its 175-mi long reef tract, second longest in the world, restricts a shallow shelf depobasin into which terrigenous clastics source from the Maya Mountains to the west and carbonates dominate from the east. Mixed lithologies occur along strandlines, in submarine channels, and in lagoons and river-delta fronts, which are scattered throughout the depobasin. Energy sources from both land and sea influence sedimentation. Heavy summer rains flood the basin with arkosic and quartzose clastics, and periodic sea storms and hurricanes drive carbonate particles from the reef tract landward into the basin. Modern environments include the reef tract, carbonate tidal flats, shallow shelf patch reefs, lagoons, cayes, mainland coast deltas, estuaries, lagoons, and beach/bar barriers. Modern sediments include reef metazoans, algae, coralline algae, lime mud, quartz, and feldspathic sand and clay. The setting for the model has been influenced by Tertiary tectonics and Pleistocene sea level changes. Karstification occurred during the past 10,000 years, partly controlling topography and resulting Holocene sediment patterns. Facies patterns of the Belize Holocene are compared to the Jurassic of Montana. The Middle Jurassic Piper Formation exhibits a nearly 100-mi long carbonate barrier/buildup restricting a clastic-dominated shelf. Other ancient mixed carbonate/clastic terranes may fit this model as well.

  20. Improving conceptual models of water and carbon transfer through peat

    USGS Publications Warehouse

    McKenzie, Jeffery M.; Siegel, Donald I.; Rosenberry, Donald O.; Baird, Andrew J.; Belyea, Lisa R.; Comas, Xavier; Reeve, A.S.; Slater, Lee D.

    2009-01-01

    Northern peatlands store 500 × 1015 g of organic carbon and are very sensitive to climate change. There is a strong conceptual model of sources, sinks, and pathways of carbon within peatlands, but challenges remain both in understanding the hydrogeology and the linkages between carbon cycling and peat pore water flow. In this chapter, research findings from the glacial Lake Agassiz peatlands are used to develop a conceptual framework for peatland hydrogeology and identify four challenges related to northern peatlands yet to be addressed: (1) develop a better understanding of the extent and net impact of climate-driven groundwater flushing in peatlands; (2) quantify the complexities of heterogeneity on pore water flow and, in particular, reconcile contradictions between peatland hydrogeologic interpretations and isotopic data; (3) understand the hydrogeologic implications of free-phase methane production, entrapment, and release in peatlands; and (4) quantify the impact of arctic and subarctic warming on peatland hydrogeology and its linkage to carbon cycling.

  1. Turbulent Chemical Diffusion in Convectively Bounded Carbon Flames

    NASA Astrophysics Data System (ADS)

    Lecoanet, Daniel; Schwab, Josiah; Quataert, Eliot; Bildsten, Lars; Timmes, F. X.; Burns, Keaton J.; Vasil, Geoffrey M.; Oishi, Jeffrey S.; Brown, Benjamin P.

    2016-11-01

    It has been proposed that mixing induced by convective overshoot can disrupt the inward propagation of carbon deflagrations in super-asymptotic giant branch stars. To test this theory, we study an idealized model of convectively bounded carbon flames with 3D hydrodynamic simulations of the Boussinesq equations using the pseudo-spectral code Dedalus. Because the flame propagation timescale is much longer than the convection timescale, we approximate the flame as fixed in space, and only consider its effects on the buoyancy of the fluid. By evolving a passive scalar field, we derive a turbulent chemical diffusivity produced by the convection as a function of height, {D}{{t}}(z). Convection can stall a flame if the chemical mixing timescale, set by the turbulent chemical diffusivity, {D}{{t}}, is shorter than the flame propagation timescale, set by the thermal diffusivity, κ, i.e., when {D}{{t}}\\gt κ . However, we find {D}{{t}}\\lt κ for most of the flame because convective plumes are not dense enough to penetrate into the flame. Extrapolating to realistic stellar conditions, this implies that convective mixing cannot stall a carbon flame and that “hybrid carbon-oxygen-neon” white dwarfs are not a typical product of stellar evolution.

  2. Carbon Isotopes in Ocean and Land Carbon Cycle Models: Atmospheric Forcing Data and Applications for CMIP6 and Beyond

    NASA Astrophysics Data System (ADS)

    Graven, H. D.; Allison, C. E.; Etheridge, D. M.; Hammer, S.; Keeling, R. F.; Krummel, P. B.; Langenfelds, R. L.; Levin, I.; Rubino, M.; Trudinger, C. M.; Vaughn, B. H.; White, J. W. C.

    2016-12-01

    The carbon isotopic composition of ocean and land carbon reservoirs is influenced by fossil fuel burning, carbon residence time, and fractionation associated with biological and physical processes. Additionally, 14C produced during nuclear weapons testing in the 1950s and 60s has enriched 14C/C ratios in decadally overturning reservoirs. Comparisons of simulated 14C and 13C dynamics between models and with observations can provide insights to key processes in the global carbon cycle including air-sea gas exchange, ocean mixing, terrestrial drought response, and vegetation and soil carbon turnover rates. However, the inclusion of carbon isotopes in large-scale model intercomparisons has so far been limited. One study, the Ocean Carbon Cycle Model Intercomparison Project 2 (OCMIP2), used simulations of ocean 14C to identify biases in model ocean circulation that affect simulated anthropogenic CO2 uptake and marine biogeochemistry. Within the context of CMIP6, we are working to advance the use of carbon isotopes for carbon cycle science, model evaluation and model intercomparison. The variables requested for DECK, OMIP and C4MIP simulations in CMIP6 include stocks and fluxes of 14C and 13C (for models that simulate 14C and 13C). We will present the historical and future atmospheric forcing datasets for Δ14C and δ13C in CO2 that we are making available to modeling groups as part of CMIP6. The historical data uses atmospheric measurements and ice core and tree ring records. For future atmospheric forcing, we use a simple carbon cycle model with CO2 emissions and atmospheric CO2 concentration for different scenarios from ScenarioMIP. We will also describe potential applications for carbon isotope simulations from CMIP6 or other modeling activities. In particular, we will present an evaluation of terrestrial carbon turnover with simulations of bomb-derived 14C inventories in simplified off-line models based on carbon stocks and fluxes in CMIP5 terrestrial models.

  3. Stochastic Modeling of Carbon Photo-mineralization along Arctic Rivers

    NASA Astrophysics Data System (ADS)

    Li, A.; Aubeneau, A. F.; King, T.; Cory, R. M.; Neilson, B. T.; Kling, G. W.; Bolster, D.; Packman, A. I.

    2014-12-01

    Permafrost soil stores twice the amount of carbon found in current atmosphere, leading to increasing concern about climate feedbacks due to thawing of organic carbon stored in arctic permafrost. Current climate models assume that CO2 outgassing occurs only at the site of thawing, overlooking the flushing of dissolved organic carbon (DOC) from soils into surface waters, downstream transport, and the associated opportunities for photochemical transformations. To better understand the mechanisms producing CO2 and the effect of water flow on riverine photo-mineralization of DOC, we developed a stochastic particle-tracking model that characterizes the migration of DOC in arctic rivers and the concurrent photo-mineralization during downstream transport. We calibrated the model against field tracer measurements, and then applied the model to analyze the effects of river geometry and flow on rates of photo-mineralization of DOC to CO2 in the Kuparuk River, Alaska. We found that rates of photo-mineralization were dependent on vertical mixing in the water column and average residence times. When flow paths are restricted to areas near and beneath the river bed, where both flow velocity and light availability are low, the overall photo-mineralization of DOC is reduced. Using this model will improve our understanding of the interactions between hydrological and photochemical controls on CO2 production in surface waters, and provide tools that can be used more generally to assess redistribution and transformation of carbon in arctic and global climate models.

  4. PULSATING REVERSE DETONATION MODELS OF TYPE Ia SUPERNOVAE. I. DETONATION IGNITION

    SciTech Connect

    Bravo, Eduardo; GarcIa-Senz, Domingo E-mail: domingo.garcia@upc.edu

    2009-04-20

    Observational evidences point to a common explosion mechanism of Type Ia supernovae based on a delayed detonation of a white dwarf (WD). Although several scenarios have been proposed and explored by means of one, two, and three-dimensional simulations, the key point still is the understanding of the conditions under which a stable detonation can form in a destabilized WD. One of the possibilities that have been invoked is that an inefficient deflagration leads to the pulsation of a Chandrasekhar-mass WD, followed by formation of an accretion shock around a carbon-oxygen rich core. The accretion shock confines the core and transforms kinetic energy from the collapsing halo into thermal energy of the core, until an inward moving detonation is formed. This chain of events has been termed Pulsating Reverse Detonation (PRD). In this work we explore the robustness of the detonation ignition for different PRD models characterized by the amount of mass burned during the deflagration phase, M {sub defl}. The evolution of the WD up to the formation of the accretion shock has been followed with a three-dimensional hydrodynamical code with nuclear reactions turned off. We found that detonation conditions are achieved for a wide range of M {sub defl}. However, if the nuclear energy released during the deflagration phase is close to the WD binding energy ({approx}0.46 x 10{sup 51} erg {yields} M {sub defl} {approx} 0.30 M {sub sun}) the accretion shock cannot heat and confine the core efficiently and detonation conditions are not robustly achieved.

  5. Time Dependent Models of Grain Formation Around Carbon Stars

    NASA Technical Reports Server (NTRS)

    Egan, M. P.; Shipman, R. F.

    1996-01-01

    Carbon-rich Asymptotic Giant Branch stars are sites of dust formation and undergo mass loss at rates ranging from 10(exp -7) to 10(exp -4) solar mass/yr. The state-of-the-art in modeling these processes is time-dependent models which simultaneously solve the grain formation and gas dynamics problem. We present results from such a model, which also includes an exact solution of the radiative transfer within the system.

  6. Experimental Modeling of a Formula Student Carbon Composite Nose Cone.

    PubMed

    Fellows, Neil A

    2017-06-06

    A numerical impact study is presented on a Formula Student (FS) racing car carbon composite nose cone. The effect of material model and model parameter selection on the numerical deceleration curves is discussed in light of the experimental deceleration data. The models show reasonable correlation in terms of the shape of the deceleration-displacement curves but do not match the peak deceleration values with errors greater that 30%.

  7. Organic carbon stock modelling for the quantification of the carbon sinks in terrestrial ecosystems

    NASA Astrophysics Data System (ADS)

    Durante, Pilar; Algeet, Nur; Oyonarte, Cecilio

    2017-04-01

    Given the recent environmental policies derived from the serious threats caused by global change, practical measures to decrease net CO2 emissions have to be put in place. Regarding this, carbon sequestration is a major measure to reduce atmospheric CO2 concentrations within a short and medium term, where terrestrial ecosystems play a basic role as carbon sinks. Development of tools for quantification, assessment and management of organic carbon in ecosystems at different scales and management scenarios, it is essential to achieve these commitments. The aim of this study is to establish a methodological framework for the modeling of this tool, applied to a sustainable land use planning and management at spatial and temporal scale. The methodology for carbon stock estimation in ecosystems is based on merger techniques between carbon stored in soils and aerial biomass. For this purpose, both spatial variability map of soil organic carbon (SOC) and algorithms for calculation of forest species biomass will be created. For the modelling of the SOC spatial distribution at different map scales, it is necessary to fit in and screen the available information of soil database legacy. Subsequently, SOC modelling will be based on the SCORPAN model, a quantitative model use to assess the correlation among soil-forming factors measured at the same site location. These factors will be selected from both static (terrain morphometric variables) and dynamic variables (climatic variables and vegetation indexes -NDVI-), providing to the model the spatio-temporal characteristic. After the predictive model, spatial inference techniques will be used to achieve the final map and to extrapolate the data to unavailable information areas (automated random forest regression kriging). The estimated uncertainty will be calculated to assess the model performance at different scale approaches. Organic carbon modelling of aerial biomass will be estimate using LiDAR (Light Detection And Ranging

  8. Multiscale modeling of PVDF matrix carbon fiber composites

    NASA Astrophysics Data System (ADS)

    Greminger, Michael; Haghiashtiani, Ghazaleh

    2017-06-01

    Self-sensing carbon fiber reinforced composites have the potential to enable structural health monitoring that is inherent to the composite material rather than requiring external or embedded sensors. It has been demonstrated that a self-sensing carbon fiber reinforced polymer composite can be created by using the piezoelectric polymer polyvinylidene difluoride (PVDF) as the matrix material and using a Kevlar layer to separate two carbon fiber layers. In this configuration, the electrically conductive carbon fiber layers act as electrodes and the Kevlar layer acts as a dielectric to prevent the electrical shorting of the carbon fiber layers. This composite material has been characterized experimentally for its effective d 33 and d 31 piezoelectric coefficients. However, for design purposes, it is desirable to obtain a predictive model of the effective piezoelectric coefficients for the final smart composite material. Also, the inverse problem can be solved to determine the degree of polarization obtained in the PVDF material during polarization by comparing the effective d 33 and d 31 values obtained in experiment to those predicted by the finite element model. In this study, a multiscale micromechanics and coupled piezoelectric-mechanical finite element modeling approach is introduced to predict the mechanical and piezoelectric performance of a plain weave carbon fiber reinforced PVDF composite. The modeling results show good agreement with the experimental results for the mechanical and electrical properties of the composite. In addition, the degree of polarization of the PVDF component of the composite is predicted using this multiscale modeling approach and shows that there is opportunity to drastically improve the smart composite’s performance by improving the polarization procedure.

  9. Modelling of single bubble growth in carbon nanofibre filled mesophase pitch during carbonization

    NASA Astrophysics Data System (ADS)

    Calebrese, Christopher; Schadler, Linda S.; Lewis, Daniel J.

    2010-06-01

    A single bubble growth model is presented for bubble growth in mesophase pitch during carbonization. This model is distinguished from typical polymer foaming models in its design to be used over a wider temperature range, its accounting for mass transfer from the liquid to the bubble, and the incorporation of reaction sites in the melt which produce volatile gases. The effect of nanofibre loading on growth is investigated in terms of viscosity, density and volatile concentration. It is found that the viscosity change is the controlling factor in altering the bubble growth rate in this system. Comparison with experimental data shows that a single bubble growth model is a reasonable assumption for carbon nanofibre loading of 1 wt% or below.

  10. Modeling the Electrical Contact Resistance at Steel-Carbon Interfaces

    NASA Astrophysics Data System (ADS)

    Brimmo, Ayoola T.; Hassan, Mohamed I.

    2016-01-01

    In the aluminum smelting industry, electrical contact resistance at the stub-carbon (steel-carbon) interface has been recurrently reported to be of magnitudes that legitimately necessitate concern. Mitigating this via finite element modeling has been the focus of a number of investigations, with the pressure- and temperature-dependent contact resistance relation frequently cited as a factor that limits the accuracy of such models. In this study, pressure- and temperature-dependent relations are derived from the most extensively cited works that have experimentally characterized the electrical contact resistance at these contacts. These relations are applied in a validated thermo-electro-mechanical finite element model used to estimate the voltage drop across a steel-carbon laboratory setup. By comparing the models' estimate of the contact electrical resistance with experimental measurements, we deduce the applicability of the different relations over a range of temperatures. The ultimate goal of this study is to apply mathematical modeling in providing pressure- and temperature-dependent relations that best describe the steel-carbon electrical contact resistance and identify the best fit relation at specific thermodynamic conditions.

  11. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Létant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-01

    Energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemical code. Temperatures in the range of 2300-2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. Results showed live spore survival rates in the range of 0.01%-1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide and aluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. These results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  12. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    SciTech Connect

    Tringe, J. W.; Létant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-21

    Energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemical code. Temperatures in the range of 2300–2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. Results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide and aluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. These results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  13. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    DOE PAGES

    Tringe, J. W.; Letant, S. E.; Dugan, L. C.; ...

    2013-12-17

    We found that energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemicalcode. Temperatures in the range of 2300–2800 K were calculated to persist for nearly themore » full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. These results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide andaluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. Our results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.« less

  14. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    SciTech Connect

    Tringe, J. W.; Letant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-17

    We found that energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemicalcode. Temperatures in the range of 2300–2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. These results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide andaluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. Our results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  15. Measuring and Modeling Component and Whole-System Carbon Exchange

    SciTech Connect

    Paul Bolstad

    2006-11-01

    We measured ecosystem/atmospheric carbon exchange through a range of methods covering a range of scales. We measured carbon (C) pool and flux for a number of previously poorly quantified ecosystems, developed measurement and modeling methods, and applied these to substantially increase the accuracy and reduce uncertainty in ecosystem/atmospheric C exchange at a range of scales. It appears most upland forests are weak to strong carbon sinks, and status depends largely on disturbance history and age. Net flux from wetland ecosystems appears to be from weak sinks to moderate sources of C to the atmosphere. We found limited evidence for a positive feedback of warming/drying to increased ecosystem C emissions. We further developed multi-source integration and modeling methods, including multiple towers, to scale estimates to landscapes and larger regions.

  16. Hysteresis modeling in ballistic carbon nanotube field-effect transistors

    PubMed Central

    Liu, Yian; Moura, Mateus S; Costa, Ademir J; de Almeida, Luiz Alberto L; Paranjape, Makarand; Fontana, Marcio

    2014-01-01

    Theoretical models are adapted to describe the hysteresis effects seen in the electrical characteristics of carbon nanotube field-effect transistors. The ballistic transport model describes the contributions of conduction energy sub-bands over carbon nanotube field-effect transistor drain current as a function of drain-source and gate-source voltages as well as other physical parameters of the device. The limiting-loop proximity model, originally developed to understand magnetic hysteresis, is also utilized in this work. The curves obtained from our developed model corroborate well with the experimentally derived hysteretic behavior of the transistors. Modeling the hysteresis behavior will enable designers to reliably use these effects in both analog and memory applications. PMID:25187698

  17. Modeling encapsulation of acetylene molecules into carbon nanotubes.

    PubMed

    Tran-Duc, Thien; Thamwattana, Ngamta

    2011-06-08

    Polyacetylene is a well-known conductive polymer and when doped its conductivity can be altered by up to 12 orders of magnitude. However, due to entropy effects a polyacetylene chain usually suffers from distortions and interchain couplings which lead to unpredictable changes in its conducting property. Encapsulating a polyacetylene chain into a carbon nanotube can resolve these issues. Furthermore, since the carbon nanotube itself possesses excellent electrical conductivity, the combination of the carbon nanotube and polyacetylene may give rise to a new material with superior transport behavior. In this paper, we model mathematically the molecular interaction between an acetylene molecule and a carbon nanotube in order to determine conditions at which configurations of the acetylene molecule are accepted into the carbon nanotube as well as its equilibrium configurations inside various sizes of carbon nanotubes. For special cases of the acetylene molecule lying on the tube axis, standing vertically with its center on the tube axis and staying far inside the tube, explicit analytical expressions for the interaction energy are obtained.

  18. A model of compaction creep in carbonates

    NASA Astrophysics Data System (ADS)

    Keszthelyi, Daniel; Jamtveit, Bjørn; Dysthe, Dag Kristian

    2015-04-01

    Rocks in compressional stress conditions are subject to long-term creep deformations. We created a simple conceptual micomechanical model of creep in rocks combining microscopic fracturing and pressure solution. This was then scaled up to macroscopic scale by a statistical mechanical approach to predict strain rate at core scale. The model uses no fitting parameter and have a few input parameters: effective stress, porosity, pore size distribution, temperature and water saturation. Internal parameters are Young's modulus, interfacial energy of wet calcite and dissolution rates of calcite, all of which are measurable independently. Existing long-term creep experiments were used to verify the model which was able to predict the magnitude of the resulting strain in largely different effective stress, temperature and water saturation conditions. The model was also able to predict the compaction of a producing chalk reservoir with a good agreement. Further generalization of the model might function as a general theory of long-term creep of rocks in compressional settings.

  19. Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils

    NASA Astrophysics Data System (ADS)

    Sedy, Katrin; Freudenschuss, Alexandra; Zethner, Gehard; Spiegel, Heide; Franko, Uwe; Gründling, Ralf; Xaver Hölzl, Franz; Preinstorfer, Claudia; Haslmayr, Hans Peter; Formayer, Herbert

    2014-05-01

    Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils. The project funded by the Klima- und Energiefonds, Austrian Climate Research Programme, 4th call Authors: Katrin Sedy, Alexandra Freudenschuss, Gerhard Zethner (Environment Agency Austria), Heide Spiegel (Austrian Agency for Health and Food Safety), Uwe Franko, Ralf Gründling (Helmholtz Centre for Environmental Research) Climate change will affect plant productivity due to weather extremes. However, adverse effects could be diminished and satisfying production levels may be maintained with proper soil conditions. To sustain and optimize the potential of agricultural land for plant productivity it will be necessary to focus on preserving and increasing soil organic carbon (SOC). Carbon sequestration in agricultural soils is strongly influenced by management practice. The present management is affected by management practices that tend to speed up carbon loss. Crop rotation, soil cultivation and the management of crop residues are very important measures to influence carbon dynamics and soil fertility. For the future it will be crucial to focus on practical measures to optimize SOC and to improve soil structure. To predict SOC turnover the existing humus balance model the application of the "Carbon Candy Balance" was verified by results from Austrian long term field experiments and field data of selected farms. Thus the main aim of the project is to generate a carbon balancing tool box that can be applied in different agricultural production regions to assess humus dynamics due to agricultural management practices. The toolbox will allow the selection of specific regional input parameters for calculating the C-balance at field level. However farmers or other interested user can also apply their own field data to receive the result of C-dynamics under certain management practises within the next 100 years. At regional level the impact of predefined changes in agricultural management

  20. Carbon accumulation of tropical peatlands over millennia: a modeling approach.

    PubMed

    Kurnianto, Sofyan; Warren, Matthew; Talbot, Julie; Kauffman, Boone; Murdiyarso, Daniel; Frolking, Steve

    2015-01-01

    Tropical peatlands cover an estimated 440,000 km2 (~10% of global peatland area) and are significant in the global carbon cycle by storing about 40-90 Gt C in peat. Over the past several decades, tropical peatlands have experienced high rates of deforestation and conversion, which is often associated with lowering the water table and peat burning, releasing large amounts of carbon stored in peat to the atmosphere. We present the first model of long-term carbon accumulation in tropical peatlands by modifying the Holocene Peat Model (HPM), which has been successfully applied to northern temperate peatlands. Tropical HPM (HPMTrop) is a one-dimensional, nonlinear, dynamic model with a monthly time step that simulates peat mass remaining in annual peat cohorts over millennia as a balance between monthly vegetation inputs (litter) and monthly decomposition. Key model parameters were based on published data on vegetation characteristics, including net primary production partitioned into leaves, wood, and roots; and initial litter decomposition rates. HPMTrop outputs are generally consistent with field observations from Indonesia. Simulated long-term carbon accumulation rates for 11,000-year-old inland, and 5000-year-old coastal peatlands were about 0.3 and 0.59 Mg C ha(-1) yr(-1), and the resulting peat carbon stocks at the end of the 11,000-year and 5000-year simulations were 3300 and 2900 Mg C ha(-1), respectively. The simulated carbon loss caused by coastal peat swamp forest conversion into oil palm plantation with periodic burning was 1400 Mg C ha(-1) over 100 years, which is equivalent to ~2900 years of C accumulation in a hectare of coastal peatlands.

  1. Modelling uncertainty of carbon stocks changes in peats.

    NASA Astrophysics Data System (ADS)

    Poggio, Laura; Gimona, Alessandro; Aalders, Inge; Morrice, Jane; Hough, Rupert

    2015-04-01

    Global warming might change the hydrology of upland blanket peats in Scotland with increased risk of release of the stored carbon. It is therefore important to model the loss of carbon in peat areas with estimation of the damage potential. The presented approach has the potential to provide important information for the assessment of carbon stocks over large areas, but also in case of changes of land use, such as construction of wind farms. The provided spatial uncertainty is important for including the results in further environmental and climate-change models and for decision making in order to provide alternatives and prioritisation. In this study, main peat properties (i.e. depth, water content, bulk density and carbon content) were modelled using a hybrid GAM-geostatistical 3D approach that allows full uncertainty propagation. The approach used involves 1) modelling the trend with full 3D spatial correlation, i.e., exploiting the values of the neighbouring pixels in 3D-space, and 2) 3D kriging as spatial component. The uncertainty of the approach is assessed with iterations in both steps of the process. We studied the difference between local estimates obtained with the present method and local estimates obtained assuming the global average value across the test area for Carbon content and bulk density. To this end, virtual pits with a surface area of 30x30 m were excavated for the whole peat depth at randomly selected locations. Calculated uncertainty was used to estimate credible intervals of C loss. In this case the estimates obtained with the proposed approach are higher that what would be obtained by assuming spatial homogeneity and using just average values across the area. This has implications for environmental decision making and planning as, in this case, it is likely that more carbon would be lost than estimated using traditional approaches.

  2. Ocean carbon and heat variability in an Earth System Model

    NASA Astrophysics Data System (ADS)

    Thomas, J. L.; Waugh, D.; Gnanadesikan, A.

    2016-12-01

    Ocean carbon and heat content are very important for regulating global climate. Furthermore, due to lack of observations and dependence on parameterizations, there has been little consensus in the modeling community on the magnitude of realistic ocean carbon and heat content variability, particularly in the Southern Ocean. We assess the differences between global oceanic heat and carbon content variability in GFDL ESM2Mc using a 500-year, pre-industrial control simulation. The global carbon and heat content are directly out of phase with each other; however, in the Southern Ocean the heat and carbon content are in phase. The global heat mutli-decadal variability is primarily explained by variability in the tropics and mid-latitudes, while the variability in global carbon content is primarily explained by Southern Ocean variability. In order to test the robustness of this relationship, we use three additional pre-industrial control simulations using different mesoscale mixing parameterizations. Three pre-industrial control simulations are conducted with the along-isopycnal diffusion coefficient (Aredi) set to constant values of 400, 800 (control) and 2400 m2 s-1. These values for Aredi are within the range of parameter settings commonly used in modeling groups. Finally, one pre-industrial control simulation is conducted where the minimum in the Gent-McWilliams parameterization closure scheme (AGM) increased to 600 m2 s-1. We find that the different simulations have very different multi-decadal variability, especially in the Weddell Sea where the characteristics of deep convection are drastically changed. While the temporal frequency and amplitude global heat and carbon content changes significantly, the overall spatial pattern of variability remains unchanged between the simulations.

  3. Turbulent flame speeds in ducts and the deflagration/detonation transition

    SciTech Connect

    Bradley, D.; Lawes, M.; Liu, Kexin

    2008-07-15

    A methodology is proposed for determining whether a deflagration-to-detonation transition (DDT) might occur for flame propagation along a duct with baffles, closed at the ignition end. A flammable mixture can attain a maximum turbulent burning velocity. If this is sufficiently high, a strong shock is formed ahead of the flame. It is assumed that this maximum burning velocity is soon attained and on the basis of previous studies, this value can be obtained for the given conditions. The increase in temperature and pressure of the reactants, due to the shock, further increases the maximum turbulent burning velocity. The gas velocity ahead of the flame is linked to one-dimensional shock wave equations in a numerical analysis. The predicted duct flame speeds with the appropriate maximum turbulent burning velocities are in good agreement with those measured in the slow and fast flame regimes of a range of CH{sub 4}-air and H{sub 2}-air mixtures. DDTs are possible if autoignition of the reactants occurs in the time available, and if the projected flame speed approaches the Chapman-Jouguet velocity at the same temperature and pressure. Prediction of the first condition requires values of the autoignition delay time of the mixture at the shocked temperatures and pressures. Prediction of the second requires values of the laminar burning velocity and Markstein number. With the appropriate values of these parameters, it is shown numerically that there is no DDT with CH{sub 4}-air. With H{sub 2}-air, the onset of DDT occurs close to the values of equivalence ratio at which it has been observed experimentally. The effects of different duct sizes also are predicted, although details of the DDT cannot be predicted. Extension of the study to a wider range of fuels requires more data on their laminar burning velocities and Markstein numbers at higher temperatures and pressures and on autoignition delay times at lower temperatures and pressures. (author)

  4. Origins of the deflagration-to-detonation transition in gas-phase combustion

    SciTech Connect

    Oran, Elaine S.; Gamezo, Vadim N.

    2007-01-15

    This paper summarizes a 10-year theoretical and numerical effort to understand the deflagration-to-detonation transition (DDT). To simulate DDT from first principles, it is necessary to resolve the relevant scales ranging from the size of the system to the flame thickness, a range that can cover up to 12 orders of magnitude in real systems. This computational challenge resulted in the development of numerical algorithms for solving coupled partial and ordinary differential equations and a new method for adaptive mesh refinement to deal with multiscale phenomena. Insight into how, when, and where DDT occurs was obtained by analyzing a series of multidimensional numerical simulations of laboratory experiments designed to create a turbulent flame through a series of shock-flame interactions. The simulations showed that these interactions are important for creating the conditions in which DDT can occur. Flames enhance the strength of shocks passing through a turbulent flame brush and generate new shocks. In turn, shock interactions with flames create and drive the turbulence in flames. The turbulent flame itself does not undergo a transition, but it creates conditions in nearby unreacted material that lead to ignition centers, or 'hot spots,' which can then produce a detonation through the Zeldovich gradient mechanism involving gradients of reactivity. Obstacles and boundary layers, through their interactions with shocks and flames, help to create environments in which hot spots can develop. Other scenarios producing reactivity gradients that can lead to detonations include flame-flame interactions, turbulent mixing of hot products with reactant gases, and direct shock ignition. Major unresolved questions concern the properties of nonequilibrium, shock-driven turbulence, stochastic properties of ignition events, and the possibility of unconfined DDT. (author)

  5. The influence of initial temperature on flame acceleration and deflagration-to-detonation transition

    SciTech Connect

    Ciccarelli, G.; Boccio, J.L.; Ginsberg, T.

    1996-07-01

    The influence of initial mixture temperature on deflagration-to-detonation transition (DDT) has been investigated experimentally. The experiments were carried out in a 27-cm-inner diameter, 21.3-meter-long heated detonation tube, which was equipped with periodic orifice plates to promote flame acceleration. Hydrogen-air-steam mixtures were tested at a range of temperatures up to 650K and at an initial pressure of 0.1 MPa. In most cases, the limiting hydrogen mole fraction which resulted in transition to detonation corresponded to the mixture whose detonation cell size, {lambda}, was approximately equal to the inner diameter of the orifice plate, d (e.g., d/{lambda}{approximately}1). The only exception was in dry hydrogen-air mixtures at 650K where the DDT limit was observed to be 11 percent hydrogen, corresponding to a value of d/{lambda} equal to 5.5. For a 10.5 percent hydrogen mixture at 650K, the flame accelerated to a maximum velocity of about 120 m/s and then decelerated to below 2 m/s. This observation indicates that the d/{lambda} = 1 DDT limit criterion provides a necessary condition but not a sufficient one for the onset of DDT in obstacle-laden ducts. In this particular case, the mixture initial condition (i.e., temperature) resulted in the inability of the mixture to sustain flame acceleration to the point where DDT could occur. It was also observed that the distance required for the flame to accelerate to the onset of detonation was a function of both the hydrogen mole fraction and the mixture initial temperature. For example, decreasing the hydrogen mole fraction or increasing the initial mixture temperature resulted in longer transition distances.

  6. Modeling adaptation of carbon use efficiency in microbial communities.

    PubMed

    Allison, Steven D

    2014-01-01

    In new microbial-biogeochemical models, microbial carbon use efficiency (CUE) is often assumed to decline with increasing temperature. Under this assumption, soil carbon losses under warming are small because microbial biomass declines. Yet there is also empirical evidence that CUE may adapt (i.e., become less sensitive) to warming, thereby mitigating negative effects on microbial biomass. To analyze potential mechanisms of CUE adaptation, I used two theoretical models to implement a tradeoff between microbial uptake rate and CUE. This rate-yield tradeoff is based on thermodynamic principles and suggests that microbes with greater investment in resource acquisition should have lower CUE. Microbial communities or individuals could adapt to warming by reducing investment in enzymes and uptake machinery. Consistent with this idea, a simple analytical model predicted that adaptation can offset 50% of the warming-induced decline in CUE. To assess the ecosystem implications of the rate-yield tradeoff, I quantified CUE adaptation in a spatially-structured simulation model with 100 microbial taxa and 12 soil carbon substrates. This model predicted much lower CUE adaptation, likely due to additional physiological and ecological constraints on microbes. In particular, specific resource acquisition traits are needed to maintain stoichiometric balance, and taxa with high CUE and low enzyme investment rely on low-yield, high-enzyme neighbors to catalyze substrate degradation. In contrast to published microbial models, simulations with greater CUE adaptation also showed greater carbon storage under warming. This pattern occurred because microbial communities with stronger CUE adaptation produced fewer degradative enzymes, despite increases in biomass. Thus, the rate-yield tradeoff prevents CUE adaptation from driving ecosystem carbon loss under climate warming.

  7. Anode modeling of a molten-carbonate based direct carbon fuel cell

    NASA Astrophysics Data System (ADS)

    Chen, Chia-Chin; Selman, J. Robert

    2017-06-01

    The Direct Carbon Fuel Cell (DCFC) is a type of fuel cell using solid carbon as fuel and molten carbonate as electrolyte. Although the primary anodic reaction is believed to be a 4-electron carbon oxidation reaction, to explain the performance of the DCFC in practice it is necessary to consider the 2-electron CO oxidation reaction as well as the reverse Boudouard reaction. Taking these multiple reactions into account, this work develops a 1-D macrohomogeneous model, and investigates the current and concentration distribution in the DCFC anode. The result shows that the active zone is mostly located on the portion of the anode bed nearest the electrolyte matrix. The dimensionless analysis of the electrode's resistance ratios suggests that the DCFC anode performance is mainly limited by ohmic losses and the relatively slow kinetics of the anodic reactions. To improve the performance of the DCFC, increasing effective electrical conductivity of the carbon particle bed by an order of magnitude, for example by a small fraction of inert metallic additives, can increase the cell efficiency appreciably. Besides causing the anode bed to be fully used, the rise in effective electrical conductivity of the anode bed appreciably improves the power density of DCFC.

  8. Dynamic compaction of granular materials in a tube with wall friction, applied to deflagration-to-detonation transition

    SciTech Connect

    Hill, L.G.; Kapila, A.K.

    1995-09-01

    A theoretical problem is considered in which a granular material is pushed through a tube of arbitrary cross-section by a constant velocity piston against the resistance of compaction work and wall friction. The crushing of the material is dictated by a simple yet physically reasonable compaction law. By considering two special cases - the limit of vanishing friction and the quasistatic limit - we identify the two basic compaction wave structures. We then consider the general case in which the two waves interact. Estimates suggest that for typical deflagration-to-detonation tests explosive at the wall melts on time scales short compared to the experiment.

  9. Computer Modeling of Carbon Metabolism Enables Biofuel Engineering (Fact Sheet)

    SciTech Connect

    Not Available

    2011-09-01

    In an effort to reduce the cost of biofuels, the National Renewable Energy Laboratory (NREL) has merged biochemistry with modern computing and mathematics. The result is a model of carbon metabolism that will help researchers understand and engineer the process of photosynthesis for optimal biofuel production.

  10. Calibration and testing or models of the global carbon cycle

    SciTech Connect

    Emanuel, W.R.; Killough, G.G.; Shugart, H.H. Jr.

    1980-01-01

    A ten-compartment model of the global biogeochemical cycle of carbon is presented. The two less-abundant isotopes of carbon, /sup 13/C and /sup 14/C, as well as total carbon, are considered. The cycling of carbon in the ocean is represented by two well-mixed compartments and in the world's terrestrial ecosystems by seven compartments, five which are dynamic and two with instantaneous transfer. An internally consistent procedure for calibrating this model against an assumed initial steady state is discussed. In particular, the constraint that the average /sup 13/C//sup 12/C ratio in the total flux from the terrestrial component of the model to the atmosphere be equal to that of the steady-state atmosphere is investigated. With this additional constraint, the model provides a more accurate representation of the influence of the terrestrial system on the /sup 13/C//sup 12/C ratio of the atmosphere and provides an improved basis for interpreting records, such as tree rings, reflecting historical changes in this ratio.

  11. Existing Soil Carbon Models Do Not Apply to Forested Wetlands

    Treesearch

    Carl C. Trettin; B. Song; M.F. Jurgensen; C. Li

    2001-01-01

    When assessing the biological,geological,and chemical cycling of nutrients and elements — or when assessing carbon dynamics with respect to global change — modeling and simulation are necessary. Although wetlands occupy a relatively small proportion of Earth’s terrestrial surface (

  12. A big-microsite framework for soil carbon modeling.

    PubMed

    Davidson, Eric A; Savage, Kathleen E; Finzi, Adrien C

    2014-12-01

    Soil carbon cycling processes potentially play a large role in biotic feedbacks to climate change, but little agreement exists at present on what the core of numerical soil C cycling models should look like. In contrast, most canopy models of photosynthesis and leaf gas exchange share a common 'Farquhaur-model' core structure. Here, we explore why a similar core model structure for heterotrophic soil respiration remains elusive and how a pathway to that goal might be envisioned. The spatial and temporal variation in soil microsite conditions greatly complicates modeling efforts, but we believe it is possible to develop a tractable number of parameterizable equations that are organized into a coherent, modular, numerical model structure. First, we show parallels in insights gleaned from linking Arrhenius and Michaelis-Menten kinetics for both photosynthesis and soil respiration. Additional equations and layers of complexity are then added to simulate substrate supply. For soils, model modules that simulate carbon stabilization processes will be key to estimating the fraction of soil C that is accessible to enzymes. Potential modules for dynamic photosynthate input, wetting-event inputs, freeze-thaw impacts on substrate diffusion, aggregate turnover, soluble-C sorption, gas transport, methane respiration, and microbial dynamics are described for conceptually and numerically linking our understanding of fast-response processes of soil gas exchange with longer-term dynamics of soil carbon and nitrogen stocks. © 2014 John Wiley & Sons Ltd.

  13. A three-dimensional picture of the delayed-detonation model of type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Bravo, E.; García-Senz, D.

    2008-02-01

    Aims:Deflagration models poorly explain the observed diversity of SNIa. Current multidimensional simulations of SNIa predict a significant amount of, so far unobserved, carbon and oxygen moving at low velocities. It has been proposed that these drawbacks can be resolved if there is a sudden jump to a detonation (delayed detonation), but these kinds of models have been explored mainly in one dimension. Here we present new three-dimensional delayed detonation models in which the deflagraton-to-detonation transition (DDT) takes place in conditions like those favored by one-dimensional models. Methods: We have used a smoothed-particle-hydrodynamics code adapted to follow all the dynamical phases of the explosion, with algorithms devised to handle subsonic as well as supersonic combustion fronts. The starting point was a centrally ignited C-O white dwarf of 1.38 {M}⊙. When the average density on the flame surface reached 2-3×107 g cm-3 a detonation was launched. Results: The detonation wave processed more than 0.3 M⊙ of carbon and oxygen, emptying the central regions of the ejecta of unburned fuel and raising its kinetic energy close to the fiducial 1051 erg expected from a healthy type Ia supernova. The final amount of 56Ni synthesized also was in the correct range. However, the mass of carbon and oxygen ejected is still too high. Conclusions: The three-dimensional delayed detonation models explored here show an improvement over pure deflagration models, but they still fail to coincide with basic observational constraints. However, there are many aspects of the model that are still poorly known (geometry of flame ignition, mechanism of DDT, properties of detonation waves traversing a mixture of fuel and ashes). Therefore, it will be worth pursuing its exploration to see if a good SNIa model based on the three-dimensional delayed detonation scenario can be obtained.

  14. Soil carbon sensitivity to temperature and carbon use efficiency compared across microbial-ecosystem models of varying complexity

    SciTech Connect

    Li, Jianwei; Wang, Gangsheng; Allison, Steven D.; Mayes, Melanie; Luo, Yiqi

    2014-01-01

    Global ecosystem models may require microbial components to accurately predict feedbacks between climate warming and soil decomposition, but it is unclear what parameters and levels of complexity are ideal for scaling up to the globe. Here we conducted a model comparison using a conventional model with first-order decay and three microbial models of increasing complexity that simulate short- to long-term soil carbon dynamics. We focused on soil carbon responses to microbial carbon use efficiency (CUE) and temperature. Three scenarios were implemented in all models: constant CUE (held at 0.31), varied CUE ( 0.016 C 1), and 50 % acclimated CUE ( 0.008 C 1). Whereas the conventional model always showed soil carbon losses with increasing temperature, the microbial models each predicted a temperature threshold above which warming led to soil carbon gain. The location of this threshold depended on CUE scenario, with higher temperature thresholds under the acclimated and constant scenarios. This result suggests that the temperature sensitivity of CUE and the structure of the soil carbon model together regulate the long-term soil carbon response to warming. Equilibrium soil carbon stocks predicted by the microbial models were much less sensitive to changing inputs compared to the conventional model. Although many soil carbon dynamics were similar across microbial models, the most complex model showed less pronounced oscillations. Thus, adding model complexity (i.e. including enzyme pools) could improve the mechanistic representation of soil carbon dynamics during the transient phase in certain ecosystems. This study suggests that model structure and CUE parameterization should be carefully evaluated when scaling up microbial models to ecosystems and the globe.

  15. Process modeling for carbon-phenolic nozzle materials

    NASA Technical Reports Server (NTRS)

    Letson, Mischell A.; Bunker, Robert C.; Remus, Walter M., III; Clinton, R. G.

    1989-01-01

    A thermochemical model based on the SINDA heat transfer program is developed for carbon-phenolic nozzle material processes. The model can be used to optimize cure cycles and to predict material properties based on the types of materials and the process by which these materials are used to make nozzle components. Chemical kinetic constants for Fiberite MX4926 were determined so that optimization of cure cycles for the current Space Shuttle Solid Rocket Motor nozzle rings can be determined.

  16. Stoichiometric modeling of carbon diagenesis within a coral reef framework

    NASA Astrophysics Data System (ADS)

    Tribble, Gordon W.; Sansone, Francis J.; Smith, Stephen V.

    1990-09-01

    Water sampled from the interior framework of Checker Reef, Oahu, Hawaii, indicates that the aerobic and anaerobic oxidation of organic matter dominates diagenesis within the reef framework. Reef interstitial water chemistry shows clear deviations from surface seawater: oxygen is depleted while dissolved inorganic carbon, H +, inorganic nutrients, sulfide and methane concentrations are elevated. Dissolved calcium is also elevated in most interstitial waters, indicating net dissolution of calcium carbonates. A mass-balance model used to determine the extent to which major biogeochemical reactions occur reveals that sulfate reduction is the predominant anaerobic process.

  17. Experimental Validation of a Hydromagnetic Rankine-Hugoniot Model for Pulsed Plasma Thrusters

    NASA Astrophysics Data System (ADS)

    Poehlmann, Flavio; Gascon, Nicolas; Cappelli, Mark

    2007-11-01

    The most commonly used model for the Pulsed Plasma Thruster (PPT) is based on an electric circuit analysis, which provides only little physical insight to the mechanism by which the discharge accelerates the propellant. We present a model for the acceleration mechanism in gas-fed PPTs that is derived from early work on coaxial plasma deflagration guns^1 and is based on an analogy to chemical combustion waves. More specifically, the Rankine-Hugoniot theory for detonations and deflagrations can be extended to include magnetohydrodynamics in plasmas. Equations have been derived for the exhaust velocity and a mode transition to the so-called plasma deflagration mode that was independently observed by several researchers^1,2 can be explained based on this model. Experimental data was taken at Stanford to verify the validity of the derived equations. ^1Cheng, D.Y., ``Plasma Deflagration and the Properties of a Coaxial Plasma Deflagration Gun'', Nuclear Fusion 10, 1970 ^2Woodall, D.M., Len, L.K. ``Observation of current sheath transition from snowplow to deflagration'' J. Appl. Phys. 57 (3), Feb 1985

  18. Modeling Carbon and Hydrocarbon Molecular Structures in EZTB

    NASA Technical Reports Server (NTRS)

    Lee, Seungwon; vonAllmen, Paul

    2007-01-01

    A software module that models the electronic and mechanical aspects of hydrocarbon molecules and carbon molecular structures on the basis of first principles has been written for incorporation into, and execution within, the Easy (Modular) Tight-Binding (EZTB) software infrastructure, which is summarized briefly in the immediately preceding article. Of particular interest, this module can model carbon crystals and nanotubes characterized by various coordinates and containing defects, without need to adjust parameters of the physical model. The module has been used to study the changes in electronic properties of carbon nanotubes, caused by bending of the nanotubes, for potential utility as the basis of a nonvolatile, electriccharge- free memory devices. For example, in one application of the module, it was found that an initially 50-nmlong carbon, (10,10)-chirality nanotube, which is a metallic conductor when straight, becomes a semiconductor with an energy gap of .3 meV when bent to a lateral displacement of 4 nm at the middle.

  19. Explicit Pore Pressure Material Model in Carbon-Cloth Phenolic

    NASA Technical Reports Server (NTRS)

    Gutierrez-Lemini, Danton; Ehle, Curt

    2003-01-01

    An explicit material model that uses predicted pressure in the pores of a carbon-cloth phenolic (CCP) composite has been developed. This model is intended to be used within a finite-element model to predict phenomena specific to CCP components of solid-fuel-rocket nozzles subjected to high operating temperatures and to mechanical stresses that can be great enough to cause structural failures. Phenomena that can be predicted with the help of this model include failures of specimens in restrained-thermal-growth (RTG) tests, pocketing erosion, and ply lifting

  20. A Computer Model for Direct Carbonate Fuel Cells

    SciTech Connect

    Ding, J.; Patel, P.S.; Farooque, M.; Maru, H.C.

    1997-04-01

    A 3-D computer model, describing fluid flow, heat and mass transfer, and chemical and electrochemical reaction processes, has been developed for guiding the direct carbonate fuel cell (DFC) stack design. This model is able to analyze the direct internal reforming (DIR) as well as the integrated IIR (indirect internal reforming)-DIR designs. Reasonable agreements between computed and fuel cell tested results, such as flow variations, temperature distributions, cell potentials, and exhaust gas compositions as well as methane conversions, were obtained. Details of the model and comparisons of the modeling results with experimental DFC stack data are presented in the paper.

  1. Stability of Li-carbon materials: a molecular modeling study

    NASA Astrophysics Data System (ADS)

    Nicolau, Dan V.

    2004-03-01

    Materials with exceptionally high content of carbon are used in technologies with various degrees of added value, from quasi-amorphous materials for carbon electrodes used in e.g. lithium batteries to highly-organized materials comprising e.g. nanotubes and fullerenes. The present study aims to test the feasibility of predicting the properties of carbon based materials using (i) molecular modeling and simulation techniques for prediction of compositional stability; and (ii) experimental data regarding materials used for lithium batteries as validation data. It has been found that a higher H/C atomic ratio has a complex influence on lithium uptake. The decrease of the number of the aromatic rings will limit the number of lithium ions allowed in the pore and the increase in pore flexibility will induce a more energetically favorable mechanism for lithium ions uptake (folding/house-of-cards formation against pore expansion).

  2. Computer modeling the internal architecture of carbonate platforms

    SciTech Connect

    Bosence, D.; Waltham, D. )

    1990-01-01

    A numerical computer model is described that calculates the internal architecture of carbonate platforms in response to varying values of carbonate production, subaerial and submarine erosion, sediment redeposition, and sea-level changes. The computer-generated sections closely resemble large-scale outcrops and interpreted seismic profiles through carbonate platforms. Stillstand and transgressive sequences have prograding and downlapping platform geometries with lagoons developing in transgressive systems. Regressive sequences have downlapping clinoforms and erosional upper surfaces. Glacioeustatic scale cycles have a major control on platform geometry with erosional sequence boundaries developing during low stands and platform drowning occurring during transgressive periods. Lowstand downlapping wedges are minor features when compared with clastic systems, and major progradation and downlap of slope deposits develop with transgressions and flooding of platform tops.

  3. CARBON-CHAIN SPECIES IN WARM-UP MODELS

    SciTech Connect

    Hassel, George E.; Harada, Nanase; Herbst, Eric

    2011-12-20

    In previous warm-up chemical models of the low-mass star-forming region L1527, we investigated the evolution of carbon-chain unsaturated hydrocarbon species when the envelope temperature is slightly elevated to T Almost-Equal-To 30 K. These models demonstrated that enhanced abundances of such species can be explained by gas-phase ion-molecule chemistry following the partial sublimation of methane from grain surfaces. We also concluded that the abundances of hydrocarbon radicals such as the C{sub n}H family should be further enhanced as the temperatures increase to higher values, but this conclusion stood in contrast with the lack of unambiguous detection of these species toward hot core and corino sources. Meanwhile, observational surveys have identified C{sub 2}H, C{sub 4}H, CH{sub 3}CCH, and CH{sub 3}OH toward hot corinos (especially IRAS 16293-2422) as well as toward L1527, with lower abundances for the carbon-chain radicals and higher abundances for the other two species toward the hot corinos. In addition, the Herschel Space Telescope has detected the bare linear chain C{sub 3} in 50 K material surrounding young high-mass stellar objects. To understand these new results, we revisit previous warm-up models with an augmented gas-grain network that incorporated reactions from a gas-phase network that was constructed for use with increased temperature up to 800 K. Some of the newly adopted reactions between carbon-chain species and abundant H{sub 2} possess chemical activation energy barriers. The revised model results now better reproduce the observed abundances of unsaturated carbon chains under hot corino (100 K) conditions and make predictions for the abundances of bare carbon chains in the 50 K regions observed by the Herschel HIFI detector.

  4. Multi-property modeling of ocean basin carbon fluxes

    NASA Technical Reports Server (NTRS)

    Volk, Tyler

    1988-01-01

    The objectives of this project were to elucidate the causal mechanisms in some of the most important features of the global ocean/atomsphere carbon system. These included the interaction of physical and biological processes in the seasonal cycle of surface water pCo2, and links between productivity, surface chlorophyll, and the carbon cycle that would aid global modeling efforts. In addition, several other areas of critical scientific interest involving links between the marine biosphere and the global carbon cycle were successfully pursued; specifically, a possible relation between phytoplankton emitted DMS and climate, and a relation between the location of calcium carbonate burial in the ocean and metamorphic source fluxes of CO2 to the atmosphere. Six published papers covering the following topics are summarized: (1) Mass extinctions, atmospheric sulphur and climatic warming at the K/T boundary; (2) Sensitivity of climate and atmospheric CO2 to deep-ocean and shallow-ocean carbonate burial; (3) Controls on CO2 sources and sinks in the earthscale surface ocean; (4) pre-anthropogenic, earthscale patterns of delta pCO2 between ocean and atmosphere; (5) Effect on atmospheric CO2 from seasonal variations in the high latitude ocean; and (6) Limitations or relating ocean surface chlorophyll to productivity.

  5. Modeling the uncertainty of estimating forest carbon stocks in China

    NASA Astrophysics Data System (ADS)

    Yue, T. X.; Wang, Y. F.; Du, Z. P.; Zhao, M. W.; Zhang, L. L.; Zhao, N.; Lu, M.; Larocque, G. R.; Wilson, J. P.

    2015-12-01

    Earth surface systems are controlled by a combination of global and local factors, which cannot be understood without accounting for both the local and global components. The system dynamics cannot be recovered from the global or local controls alone. Ground forest inventory is able to accurately estimate forest carbon stocks at sample plots, but these sample plots are too sparse to support the spatial simulation of carbon stocks with required accuracy. Satellite observation is an important source of global information for the simulation of carbon stocks. Satellite remote-sensing can supply spatially continuous information about the surface of forest carbon stocks, which is impossible from ground-based investigations, but their description has considerable uncertainty. In this paper, we validated the Lund-Potsdam-Jena dynamic global vegetation model (LPJ), the Kriging method for spatial interpolation of ground sample plots and a satellite-observation-based approach as well as an approach for fusing the ground sample plots with satellite observations and an assimilation method for incorporating the ground sample plots into LPJ. The validation results indicated that both the data fusion and data assimilation approaches reduced the uncertainty of estimating carbon stocks. The data fusion had the lowest uncertainty by using an existing method for high accuracy surface modeling to fuse the ground sample plots with the satellite observations (HASM-SOA). The estimates produced with HASM-SOA were 26.1 and 28.4 % more accurate than the satellite-based approach and spatial interpolation of the sample plots, respectively. Forest carbon stocks of 7.08 Pg were estimated for China during the period from 2004 to 2008, an increase of 2.24 Pg from 1984 to 2008, using the preferred HASM-SOA method.

  6. Determining organic carbon distributions in soil particle size fractions as a precondition of lateral carbon transport modeling at large scales

    NASA Astrophysics Data System (ADS)

    Schindewolf, Marcus; Seher, Wiebke; Pfeffer, Eduard; Schultze, Nico; Amorim, Ricardo S. S.; Schmidt, Jürgen

    2016-04-01

    The erosional transport of organic carbon has an effect on the global carbon budget, however, it is uncertain, whether erosion is a sink or a source for carbon in the atmosphere. Continuous erosion leads to a massive loss of top soils including the loss of organic carbon historically accumulated in the soil humus fraction. The colluvial organic carbon could be protected from further degradation depending on the depth of the colluvial cover and local decomposing conditions. Another part of eroded soils and organic carbon will enter surface water bodies and might be transported over long distances. The selective nature of soil erosion results in a preferential transport of fine particles while less carbonic larger particles remain on site. Consequently organic carbon is enriched in the eroded sediment compared to the origin soil. As a precondition of process based lateral carbon flux modeling, carbon distribution on soil particle size fractions has to be known. In this regard the present study refers to the determination of organic carbon contents on soil particle size separates by a combined sieve-sedimentation method for different tropical and temperate soils Our results suggest high influences of parent material and climatic conditions on carbon distribution on soil particle separates. By applying these results in erosion modeling a test slope was simulated with the EROSION 2D simulation software covering certain land use and soil management scenarios referring to different rainfall events. These simulations allow first insights on carbon loss and depletion on sediment delivery areas as well as carbon gains and enrichments on deposition areas on the landscape scale and could be used as a step forward in landscape scaled carbon redistribution modeling.

  7. High resolution modeling of direct ocean carbon sequestration

    SciTech Connect

    Michael Follows; John Marshall

    2004-04-22

    This work has followed two themes: (1) Developing and using the adjoint of the MIT ocean biogeochemistry model to examine the efficiency of carbon sequestration in a global configuration. We have demonstrated the power of the adjoint method for systematic ocean model sensitivity studies. We have shown that the relative efficiency of carbon sequestration in the Atlantic and Pacific basins changes with the period of interest. For decadal to centennial scales, the Pacific is more efficient. On longer timescales the Atlantic is more efficient . (2) We have developed and applied a high-resolution, North Atlantic circulation and tracer model to investigate the role of the mesoscale in controlling sequestration efficiency. We show that the mesoscale eddy field, and its explicit representation, significantly affects the estimated sequestration efficiency for local sources on the Eastern US seaboard.

  8. Ocean Carbon Cycle Models from the Carbon Dioxide Information Analysis Center (CDIAC)

    DOE Data Explorer

    The following Ocean Carbon Cycle models and modeling results are available from CDIAC: • CSIRO/Matear Data [Model simulation of climate change from 1880 till 2100 (Matear and Hirst 2003, GBC) • Lequere Data, Model Results • McKinley MITgcm offline biogeochemical model - posted May 2004 • McKinley MITgcm offline biogeochemical model - posted December 2004 • NCOM-Pacific-Biogeochemical Modeling Results from Fei Chai • ROMS-Pacific-Biogeochemical Modeling Results from Fei CHai • WHOI/NCAR/Irvine Eco-BGC (Doney, Moore, Lindsay, and Lima) - Posted May 2005 • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results - Posted March 2005 • Jim Christian model output for (a) Climatologies of T, S, PO4 at 50 m depth intervals; (b) SST, SSS, MLD, pCO2, CO2 flux from 1990-2003, and (c) climatological surface horizontal velocity • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results • Deutsch (UW) model output results for Oxygen variability in the North Pacific • Pacific data-model intercomparison from Patrick Wetzel (Max Planck Institute for Meteorology, Germany)

  9. Applications of dendrochronology for informing terrestrial carbon cycle modeling

    NASA Astrophysics Data System (ADS)

    Poulter, B.; Babst, F.; Ciais, P.; Frank, D. C.; Hessl, A. E.; Liu, H.; Pederson, N.

    2014-12-01

    Dendrochronology provides unique ecological information on forest dynamics that can be used to develop and benchmark terrestrial carbon cycle models. In recent years, integration between dendrochronology and process-based ecosystem models has been yielded insight into climate sensitivity of tree growth, annual carbon uptake, water-use efficiency, and phenology. Here we review some of these advances as well as some of the scaling challenges associated with representing forest stand-level dynamics from individual tree growth measurements. In particular, increment cores from trees provide annual temporal resolution of biomass gain that is recorded from decade to centennial time scales. Efforts to use such measurements to reconstruct stand level biomass gain, or net primary production, have to address issues related to sampling design as well as account for mortality-driven changes in stem density that take place during stand development, what is referred to as the 'fading record' problem. One solution to the fading record problem is to reconstruct stem density over time by applying self-thinning theory within a calibrated forest dynamics model. With this approach, recorded tree growth and modeled stand density dynamics can be used to estimate stand-level net primary production that more accurately relates to productivity estimates from carbon cycle models. An improved understanding of trends in forest productivity over the past century is critical for a range of forest management and forest science issues, where traditional growth and yield tables exclude effects of climate and atmospheric changes in CO2 on forest growth.

  10. Modeling of carbonic acid pretreatment process using ASPEN-Plus.

    PubMed

    Jayawardhana, Kemantha; Van Walsum, G Peter

    2004-01-01

    ASPEN-Plus process modeling software is used to model carbonic acid pretreatment of biomass. ASPEN-Plus was used because of the thorough treatment of thermodynamic interactions and its status as a widely accepted process simulator. Because most of the physical property data for many of the key components used in the simulation of pretreatment processes are not available in the standard ASPEN-Plus property databases, values from an in-house database (INHSPCD) developed by the National Renewable Energy Laboratory were used. The standard non-random-two-liquid (NRTL) or renon route was used as the main property method because of the need to distill ethanol and to handle dissolved gases. The pretreatment reactor was modeled as a "black box" stoichiometric reactor owing to the unavailability of reaction kinetics. The ASPEN-Plus model was used to calculate the process equipment costs, power requirements, and heating and cooling loads. Equipment costs were derived from published modeling studies. Wall thickness calculations were used to predict construction costs for the high-pressure pretreatment reactor. Published laboratory data were used to determine a suitable severity range for the operation of the carbonic acid reactor. The results indicate that combined capital and operating costs of the carbonic acid system are slightly higher than an H2SO4-based system and highly sensitive to reactor pressure and solids concentration.

  11. Modelling carbon dynamics from urban land conversion: fundamental model of city in relation to a local carbon cycle

    PubMed Central

    Svirejeva-Hopkins, Anastasia; Schellnhuber, Hans-Joachim

    2006-01-01

    Background The main task is to estimate the qualitative and quantitative contribution of urban territories and precisely of the process of urbanization to the Global Carbon Cycle (GCC). Note that, on the contrary to many investigations that have considered direct anthropogenic emission of CO2(urbanized territories produce ca. 96–98% of it), we are interested in more subtle, and up until the present time, weaker processes associated with the conversion of the surrounding natural ecosystems and landscapes into urban lands. Such conversion inevitably takes place when cities are sprawling and additional "natural" lands are becoming "urbanized". Results In order to fulfil this task, we first develop a fundamental model of urban space, since the type of land cover within a city makes a difference for a local carbon cycle. Hence, a city is sub-divided by built-up, „green" (parks, etc.) and informal settlements (favelas) fractions. Another aspect is a sub-division of the additional two regions, which makes the total number reaching eight regions, while the UN divides the world by six. Next, the basic model of the local carbon cycle for urbanized territories is built. We consider two processes: carbon emissions as a result of conversion of natural lands caused by urbanization; and the transformation of carbon flows by "urbanized" ecosystems; when carbon, accumulated by urban vegetation, is exported to the neighbouring territories. The total carbon flow in the model depends, in general, on two groups of parameters. The first includes the NPP, and the sum of living biomass and dead organic matter of ecosystems involved in the process of urbanization, and namely them we calculate here, using a new more realistic approach and taking into account the difference in regional cities' evolution. Conclusion There is also another group of parameters, dealing with the areas of urban territories, and their annual increments. A method of dynamic forecasting of these parameters, based

  12. Deflagration to detonation transition in JP-10 mist/air mixtures in a large-scale tube.

    PubMed

    Li, Shuzhuan; Liu, Qingming; Chen, Xu; Huang, Jinxiang; Li, Jing

    2017-10-05

    Deflagration to detonation transitions (DDTs) in JP-10 mist/air mixtures have been studied in a horizontal multiphase combustion and explosion tube with inner diameter of 199mm and length of 32.8m. The mist/air mixtures were generated by injecting liquid samples into the experimental tube. Experiments were performed at 298k and 101kPa with equivalence ratio ranged from 0.51 to 2.09. The coupling process of deflagration wave with leading shock wave and low-velocity self-sustained detonation were observed in JP-10 mist/air mixture with a concentration of 142.86g/m(3), and the average velocity of the self-sustained detonation wave is 510m/s, which is as low as 26% of C-J value. The low-velocity detonation in JP-10 mist/air mixture can be explained by the low-volatile property of JP-10 liquid and boundary condition. The leanest and richest critical detonable concentrations were studied. The detonation structure was studied by using pressure sensors array mounted in the wave structure test section. A single-head spin detonation wave front was observed and the cellular structure resulting from the spinning movement of the triple point was analyzed. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Increase of Carbon Cycle Feedback with Climate Sensitivity: Results from a coupled Climate and Carbon Cycle Model

    SciTech Connect

    Govindasamy, B; Thompson, S; Mirin, A; Wickett, M; Caldeira, K; Delire, C

    2004-04-01

    Coupled climate and carbon cycle modeling studies have shown that the feedback between global warming and the carbon cycle, in particular the terrestrial carbon cycle, could accelerate climate change and result in larger warming. In this paper, we investigate the sensitivity of this feedback for year-2100 global warming in the range of 0 K to 8 K. Differing climate sensitivities to increased CO{sub 2} content are imposed on the carbon cycle models for the same emissions. Emissions from the SRES A2 scenario are used. We use a fully-coupled climate and carbon cycle model, the INtegrated Climate and CArbon model (INCCA) the NCAR/DOE Parallel Coupled Model coupled to the IBIS terrestrial biosphere model and a modified-OCMIP ocean biogeochemistry model. In our model, for scenarios with year-2100 global warming increasing from 0 to 8 K, land uptake decreases from 47% to 29% of total CO{sub 2} emissions. Due to competing effects, ocean uptake (16%) shows almost no change at all. Atmospheric CO{sub 2} concentration increases were 48% higher in the run with 8 K global climate warming than in the case with no warming. Our results indicate that carbon cycle amplification of climate warming will be greater if there is higher climate sensitivity to increased atmospheric CO{sub 2} content; the carbon cycle feedback factor increases from 1.13 to 1.48 when global warming increases from 3.2 to 8 K.

  14. Modeling water adsorption in carbon micropores: study of water in carbon molecular sieves.

    PubMed

    Rutherford, S W

    2006-01-17

    Measurements of water adsorption equilibrium in a carbon molecular sieve are undertaken in order to gain insight into the nature of water adsorption in carbon micropores. The measurements are taken at low concentrations to emphasize the role of oxygen-containing functional groups in the adsorption of water. Comparisons are made with previously published water adsorption data at higher concentrations to provide a data set spanning a wide range of loading. The assembled data set provides an opportunity for comparison of various theories for prediction of water adsorption in carbon micropores. Shortcomings of current theories are outlined, and an analytical theory that is free of these deficiencies is proposed in this investigation. With the consideration of micropore volume and pore size distribution, the experimental data and proposed isotherm model are consistent with previous studies of Takeda carbon molecular sieves. Also investigated is the uptake kinetics of water, which is characterized by a Fickian diffusion mechanism. The Maxwell-Stefan formulation is applied to characterize the dependence of the diffusional mobility upon loading.

  15. Multi-scale Rule-of-Mixtures Model of Carbon Nanotube/Carbon Fiber/Epoxy Lamina

    NASA Technical Reports Server (NTRS)

    Frankland, Sarah-Jane V.; Roddick, Jaret C.; Gates, Thomas S.

    2005-01-01

    A unidirectional carbon fiber/epoxy lamina in which the carbon fibers are coated with single-walled carbon nanotubes is modeled with a multi-scale method, the atomistically informed rule-of-mixtures. This multi-scale model is designed to include the effect of the carbon nanotubes on the constitutive properties of the lamina. It included concepts from the molecular dynamics/equivalent continuum methods, micromechanics, and the strength of materials. Within the model both the nanotube volume fraction and nanotube distribution were varied. It was found that for a lamina with 60% carbon fiber volume fraction, the Young's modulus in the fiber direction varied with changes in the nanotube distribution, from 138.8 to 140 GPa with nanotube volume fractions ranging from 0.0001 to 0.0125. The presence of nanotube near the surface of the carbon fiber is therefore expected to have a small, but positive, effect on the constitutive properties of the lamina.

  16. Modelling the carbon cycle though Neoproterozoic Earth system changes

    NASA Astrophysics Data System (ADS)

    Bjerrum, C. J.; Canfield, D. E.

    2011-12-01

    The Neoproterozoic-Cambrian records major changes in geochemical proxies as a result of a profound reorganization of the Earth system. Extensive glaciations and the first oxygenation of the deep ocean with a shift from sulfidic/ferruginous conditions to more oxic conditions was accompanied by the radiation of the first animals. The reorganization was also recorded in enigmatic large-amplitude fluctuations in the isotopic composition of marine carbonate carbon (δ13CIC ), were only some are associated with major known glaciations. The carbon isotope events seem to grow in amplitude through the Neoproterozoic culminating in the Shuram anomaly - the largest in Earth history. The δ13CIC events are also accompanied by changes in the isotope composition of marine organic carbon (δ13COC), where the co-variation of δ13CIC and δ13COC seems to evolve from markedly positive relationship over a subdued δ13COC variation and an almost inverse pattern. There is limited understanding as to why or how the structure of these isotope events evolved over time and how these events may tie to the reorganization of the Earth system. We use our published quantitative model of the Shuram anomaly to explore carbon cycle dynamics during the Neoproterozoic. By changing in pre-event atmosphere-ocean chemistry we explore which factors contribute to the observed patterns of the large Neoproterozoic carbon isotope events. In particular, decreasing atmospheric CO2 and a slight increase of oxygen together with an increasing CO source from rising DOC concentrations results in progressively larger event amplitudes with changing co-variation between δ13CIC and δ13COC , culminating with the structure observed for the Shurum-Wonaka anomaly in the Ediacaran. In our model, the carbon isotope excursions were driven by methane from sediment-hosted clathrate hydrate deposits. Being a powerful greenhouse gas, methane increased temperature and melted icecaps. These combined to produce a negative 18O

  17. Computational Modeling of Carbon Nanostructures for Energy Storage Applications

    SciTech Connect

    Feng, Guang; Huang, Jingsong; Qiao, Rui; Sumpter, Bobby G; Meunier, Vincent

    2010-01-01

    We present a theoretical model for electrical double layers formed by ion adsorption in nanoscale carbon pores. In this work a combination of computational methods, including first-principles and classical modeling, are used to explain the onset of an anomalous increase in capacitance for small pores. The study highlights the key role played by pore curvature and nanoconfinement on the capacitance performance. We emphasize the role of modeling in providing a precise understanding of the processes responsible for capacitive energy storage, and how simulations can be used to enhance desired properties and suppress unwanted ones.

  18. The effect of initial temperature on flame acceleration and deflagration-to-detonation transition phenomenon

    SciTech Connect

    Ciccarelli, G.; Boccio, J.L.; Ginsberg, T.; Finfrock, C.; Gerlach, L.; Tagawa, H.; Malliakos, A.

    1998-05-01

    The High-Temperature Combustion Facility at BNL was used to conduct deflagration-to-detonation transition (DDT) experiments. Periodic orifice plates were installed inside the entire length of the detonation tube in order to promote flame acceleration. The orifice plates are 27.3-cm-outer diameter, which is equivalent to the inner diameter of the tube, and 20.6-cm-inner diameter. The detonation tube length is 21.3-meters long, and the spacing of the orifice plates is one tube diameter. A standard automobile diesel engine glow plug was used to ignite the test mixture at one end of the tube. Hydrogen-air-steam mixtures were tested at a range of temperatures up to 650K and at an initial pressure of 0.1 MPa. In most cases, the limiting hydrogen mole fraction which resulted in DDT corresponded to the mixture whose detonation cell size, {lambda}, was equal to the inner diameter of the orifice plate, d (e.g., d/{lambda}=1). The only exception was in the dry hydrogen-air mixtures at 650K where the DDT limit was observed to be 11 percent hydrogen, corresponding to a value of d/{lambda} equal to 5.5. For a 10.5 percent hydrogen mixture at 650K, the flame accelerated to a maximum velocity of about 120 mIs and then decelerated to below 2 mIs. By maintaining the first 6.1 meters of the vessel at the ignition end at 400K, and the rest of the vessel at 650K, the DDT limit was reduced to 9.5 percent hydrogen (d/{lambda}=4.2). This observation indicates that the d/{lambda}=1 DDT limit criteria provides a necessary condition but not a sufficient one for the onset of DDT in obstacle laden ducts. In this particular case, the mixture initial condition (i.e., temperature) resulted in the inability of the mixture to sustain flame acceleration to the point where DDT could occur. It was also observed that the distance required for the flame to accelerate to the point of detonation initiation, referred to as the run-up distance, was found to be a function of both the hydrogen mole fraction

  19. Benchmark analysis of parameterization for terrestrial carbon cycle model (Invited)

    NASA Astrophysics Data System (ADS)

    Luo, Y.; Zhou, X.; Verburg, P.; Arnone, J.

    2010-12-01

    Parameterization of terrestrial ecosystem models plays an important role in accurately predicting carbon-climate feedback. More and more studies have shown that a fixed set of parameters cannot adequately represent spatial and temporal variations of ecosystem functions over broad geographical locations and/or over long time. In this study, we conducted benchmark analysis of a terrestrial ecosystem (TECO) model against a highly accurate data set from mesocosm study in Ecologically Controlled Enclosed Lysimeter Laboratories (EcoCELLs) at Desert Research Institute, Reno, Nevada. The mesocosm study involved shoot and whole plant harvests in fall, fallow during winter, and fertilization treatments in year 2. We used a Markov chain Monte Carlo (MCMC) technique to estimate parameters of the TECO model and measure the model performance with estimated parameters. Our analysis showed that the model performance with one set of estimated parameters was poor over a two-year experimental duration. The model performance was slightly improved with root exudation as an additional mechanism of carbon transfer from plants to rhizosphere. The performance was significantly improved when five sets of parameters were estimated for five respective periods, which spanned from seeding to shoot harvest in year 1, from shoot to whole plant harvest in year 1, fallow, from seeding to plant harvest with fertilization in year 2, and from plant harvest to the end of the project in year 2. The five sets of parameter values are significantly different, indicating that experimental treatments caused discontinuous (or discrete) changes in ecosystem processes. The discontinuous changes in ecosystem processes pose significant challenges for carbon cycle model parameterization and generate uncertainties for model prediction.

  20. Transition from Deflagration to Detonation and Effect of Heat and Mass Addition on the Parameters of a Subsonic Flow through a Duct.

    DTIC Science & Technology

    1983-06-01

    different from Report) SII. SUPPLEMENTARY NOTES 19. KEY WORDS (Continue on reverse side if neceee ry and identify by block number) £ Deflagration...determination of the ratic of the global mole ___ number of the inert gas to that of the diatomi ~c hydrogen, . £ £ fX VX VH (3.2-25) This is in turn followed

  1. Consolidating soil carbon turnover models by improved estimates of belowground carbon input

    PubMed Central

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T.; Glendining, Margaret; Olesen, Jørgen E.

    2016-01-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting. PMID:27580672

  2. Consolidating soil carbon turnover models by improved estimates of belowground carbon input

    NASA Astrophysics Data System (ADS)

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T.; Glendining, Margaret; Olesen, Jørgen E.

    2016-09-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting.

  3. Consolidating soil carbon turnover models by improved estimates of belowground carbon input.

    PubMed

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T; Glendining, Margaret; Olesen, Jørgen E

    2016-09-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting.

  4. Sediment carbon fate in phreatic karst (Part 2): Numerical model development and application

    NASA Astrophysics Data System (ADS)

    Husic, A.; Fox, J.; Ford, W.; Agouridis, C.; Currens, J.; Taylor, C.

    2017-06-01

    The authors develop a numerical model to elucidate time-distributed processes controlling sediment carbon fate in phreatic karst. Sediment carbon processes simulated in the new numerical model include in-conduit erosion and deposition, sediment carbon transport, surficial fine grained laminae evolution, carbon pool mixing, microbial oxidation, and the understudied process of sediment carbon exchange during equilibrium transport. The authors perform a model evaluation procedure that includes generalized likelihood uncertainty estimation to quantify uncertainty of the model results. Modeling results suggest that phreatic karst conduits sustain sediment transport activity long after surface storm events cease. The sustained sediment transport has the potential to shift the baseflow sediment yield of the phreatic karst to be on par with stormflow sediment yield. The sustained activity is suggested to promote the exchange of sediment carbon between the water column and subsurface karst deposits during equilibrium sediment transport conditions. In turn, the sediment carbon exchange impacts the mixing of new and old carbon pools and the flux of carbon from phreatic karst. Integrated numerical model results from this study support the concept that phreatic karst act as a biologically active conveyor of sediment carbon that temporarily stores sediment, turns over carbon at higher rates than surface streams, and recharges degraded carbon back to the fluvial system. The numerical modeling method adopted in this paper shows the efficacy of coupling carbon isotope fingerprinting with water quality modeling to study sediment carbon in phreatic karst.

  5. Thermal modeling of carbon-epoxy laminates in fire environments.

    SciTech Connect

    McGurn, Matthew T. , Buffalo, NY); DesJardin, Paul Edward , Buffalo, NY); Dodd, Amanda B.

    2010-10-01

    A thermal model is developed for the response of carbon-epoxy composite laminates in fire environments. The model is based on a porous media description that includes the effects of gas transport within the laminate along with swelling. Model comparisons are conducted against the data from Quintere et al. Simulations are conducted for both coupon level and intermediate scale one-sided heating tests. Comparisons of the heat release rate (HRR) as well as the final products (mass fractions, volume percentages, porosity, etc.) are conducted. Overall, the agreement between available the data and model is excellent considering the simplified approximations to account for flame heat flux. A sensitivity study using a newly developed swelling model shows the importance of accounting for laminate expansion for the prediction of burnout. Excellent agreement is observed between the model and data of the final product composition that includes porosity, mass fractions and volume expansion ratio.

  6. Computer-Aided Process Model For Carbon/Phenolic Materials

    NASA Technical Reports Server (NTRS)

    Letson, Mischell A.; Bunker, Robert C.

    1996-01-01

    Computer program implements thermochemical model of processing of carbon-fiber/phenolic-matrix composite materials into molded parts of various sizes and shapes. Directed toward improving fabrication of rocket-engine-nozzle parts, also used to optimize fabrication of other structural components, and material-property parameters changed to apply to other materials. Reduces costs by reducing amount of laboratory trial and error needed to optimize curing processes and to predict properties of cured parts.

  7. Computer-Aided Process Model For Carbon/Phenolic Materials

    NASA Technical Reports Server (NTRS)

    Letson, Mischell A.; Bunker, Robert C.

    1996-01-01

    Computer program implements thermochemical model of processing of carbon-fiber/phenolic-matrix composite materials into molded parts of various sizes and shapes. Directed toward improving fabrication of rocket-engine-nozzle parts, also used to optimize fabrication of other structural components, and material-property parameters changed to apply to other materials. Reduces costs by reducing amount of laboratory trial and error needed to optimize curing processes and to predict properties of cured parts.

  8. Accounting for agriculture in modelling the global terrestrial carbon cycle

    NASA Astrophysics Data System (ADS)

    Bondeau, A.; Smith, P.; Schaphoff, S.; Zaehle, S.; Smith, B.; Sitch, S.; Gerten, D.; Schröder, B.; Lucht, W.; Cramer, W.

    2003-04-01

    Among the different approaches that investigate the role of the terrestrial biosphere within the global carbon cycle, Dynamic Global Vegetation Models (DGVMs) are an important tool. They represent the major biogeochemical mechanisms (carbon and water fluxes), depending on climate and soil, in order to simulate vegetation type (tree/grass, evergreen/deciduous, etc) as well as ecosystem function. The models should be validated for different features at various scales, in order to be used to assess the future terrestrial productivity in relation to climate change scenarios. The Lund-Potsdam-Jena (LPJ) model (Sitch et al. 2002) is one of the few existing DGVMs, from which some interesting features have been validated like the seasonal atmospheric CO2 concentrations as measured at the global network of monitoring stations, the increase of the growing season length in the northern areas (Lucht et al. 2002), the runoff of large catchment (Gerten et al. Nice 2003, session HS25). In agreement with other models, LPJ estimates that the terrestrial biosphere is currently a carbon sink that will reduce in the middle of the century because of climate change (Cramer et al. 2000). However, regarding the terrestrial productivity, land use and cover change might be even more important than climate change. Until now, none of the global vegetation models were considering agriculture, or in the best case, agricultural areas were represented as a grassland. We describe the first implementation of crop parameterization within LPJ. As compared to natural vegetation, the main features of crops that must be accounted for in a global vegetation model are: i) the specific phenology, related to the sowing date, ii) the farming practices (nutrient inputs, irrigation), iii) the man-made dynamics (harvest, choice of variety, crop rotation). In a first step we consider the 8 crops types for which a global land cover data set is available for the 20th Century (RIVM). A simple phenological model

  9. Carbon isotopes in the ocean model of the Community Earth System Model (CESM1)

    NASA Astrophysics Data System (ADS)

    Jahn, A.; Lindsay, K.; Giraud, X.; Gruber, N.; Otto-Bliesner, B. L.; Liu, Z.; Brady, E. C.

    2015-08-01

    Carbon isotopes in the ocean are frequently used as paleoclimate proxies and as present-day geochemical ocean tracers. In order to allow a more direct comparison of climate model results with this large and currently underutilized data set, we added a carbon isotope module to the ocean model of the Community Earth System Model (CESM), containing the cycling of the stable isotope 13C and the radioactive isotope 14C. We implemented the 14C tracer in two ways: in the "abiotic" case, the 14C tracer is only subject to air-sea gas exchange, physical transport, and radioactive decay, while in the "biotic" version, the 14C additionally follows the 13C tracer through all biogeochemical and ecological processes. Thus, the abiotic 14C tracer can be run without the ecosystem module, requiring significantly fewer computational resources. The carbon isotope module calculates the carbon isotopic fractionation during gas exchange, photosynthesis, and calcium carbonate formation, while any subsequent biological process such as remineralization as well as any external inputs are assumed to occur without fractionation. Given the uncertainty associated with the biological fractionation during photosynthesis, we implemented and tested three parameterizations of different complexity. Compared to present-day observations, the model is able to simulate the oceanic 14C bomb uptake and the 13C Suess effect reasonably well compared to observations and other model studies. At the same time, the carbon isotopes reveal biases in the physical model, for example, too sluggish ventilation of the deep Pacific Ocean.

  10. Analyzing the ecosystem carbon and hydrologic characteristics of forested wetland using a biogeochemical process model

    Treesearch

    Jianbo Cui; Changsheng Li; Carl Trettin

    2005-01-01

    A comprehensive biogeochemical model, Wetland-DNDC, was applied to analyze the carbon and hydrologic characteristics of forested wetland ecosystem at Minnesota (MN) and Florida (FL) sites. The model simulates the flows of carbon, energy, and water in forested wetlands. Modeled carbon dynamics depends on physiological plant factors, the size of plant pools,...

  11. Ab initio thermodynamic model for magnesium carbonates and hydrates.

    PubMed

    Chaka, Anne M; Felmy, Andrew R

    2014-09-04

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first-principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogues of Ca-based hydrated carbonates monohydrocalcite and ikaite, which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  12. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  13. A fungal growth model fitted to carbon-limited dynamics of Rhizoctonia solani.

    PubMed

    Jeger, M J; Lamour, A; Gilligan, C A; Otten, W

    2008-01-01

    Here, a quasi-steady-state approximation was used to simplify a mathematical model for fungal growth in carbon-limiting systems, and this was fitted to growth dynamics of the soil-borne plant pathogen and saprotroph Rhizoctonia solani. The model identified a criterion for invasion into carbon-limited environments with two characteristics driving fungal growth, namely the carbon decomposition rate and a measure of carbon use efficiency. The dynamics of fungal spread through a population of sites with either low (0.0074 mg) or high (0.016 mg) carbon content were well described by the simplified model with faster colonization for the carbon-rich environment. Rhizoctonia solani responded to a lower carbon availability by increasing the carbon use efficiency and the carbon decomposition rate following colonization. The results are discussed in relation to fungal invasion thresholds in terms of carbon nutrition.

  14. [Mathematical model of the global carbon cycle in the biosphere].

    PubMed

    Tarko, A M

    2010-01-01

    Changes in the atmospheric carbon dioxide concentration, temperatures of the atmosphere, and parameters of land biota as a result of anthropogenic carbon dioxide emissions, forest clearance, and soil erosion are calculated in a spatial mathematical model of the global carbon cycle in the biosphere. Restrictions on the CO2 emissions to the atmosphere are deduced from the requirements of Kyoto Protocol to The UN Framework Convention on Climate Change and other scenarios. An ability is revealed for the atmospheric CO2 concentration to grow fast, which arises from a number of emerging and developing countries with large population and high CO2 emission rates and which surpasses greatly the effect of growth retardation due to Kyoto Protocol. Those countries' role will become mostly apparent to the year of 2060 and later. Russia has shown to be in an exclusive position relative to other countries: ecosystems of its territory absorb more of the atmospheric carbon dioxide than does any other country, and the inductrial emissions from its territory are practically equal to the absorption by ecosystems.

  15. Modeling trapping mechanism for PCB adsorption on activated carbon

    NASA Astrophysics Data System (ADS)

    Jensen, Bjørnar; Kvamme, Bjørn; Kuznetsova, Tatyana; Oterhals, A.˚ge

    2012-12-01

    The levels of polychlorinated dibenzo-p-dioxin, polychlorinated dibenzofuran (PCDD/F) and dioxin-like polychlorinated biphenyl (DL-PCB) in fishmeal and fish oil produced for use in feed for salmon is above present European legislation levels in some regions of the world and different decontamination approaches have been proposed [1]. One of these is adsorption on activated carbon. This approach appears to be efficient for adsorption of PCDD/F but less efficient for DL-PCB [2]. Activated carbon consists of slit pores with average sizes of 20 - 50 Ångstroms. One hypothesis [2] for the mechanism of trapping DL-PCB is reduced ability for intramolecular movements of the PCB molecules inside the slit pores. In order to investigate this hypothesis we have used quantum mechanics [3] to characterize two DL-PCB congeners, respectively congener 77 (3,3',4,4'-Tetrachlorobiphenyl) and congener 118 (2,3',4,4',5-Pentachlorobiphenyl) and Triolein (18:1) [4] as a major constituent of the solvent fish oil. A model for activated carbon was constructed using a crystal structure of graphite from the American Mineralogist Crystal Structure Database [5]. The crystal structure used was originally from Wyckoff [6]. A small program had to be written to generate the desired graphite structure as it contains no less than 31232 Carbon atoms. Partial atomic charges were estimated using QM with DFT/B3LYP/6-311+g** and SM6 [7].

  16. Benchmarking carbon fluxes of the ISIMIP2a biome models

    NASA Astrophysics Data System (ADS)

    Chang, Jinfeng; Ciais, Philippe; Wang, Xuhui; Piao, Shilong; Asrar, Ghassem; Betts, Richard; Chevallier, Frédéric; Dury, Marie; François, Louis; Frieler, Katja; García Cantú Ros, Anselmo; Henrot, Alexandra-Jane; Hickler, Thomas; Ito, Akihiko; Morfopoulos, Catherine; Munhoven, Guy; Nishina, Kazuya; Ostberg, Sebastian; Pan, Shufen; Peng, Shushi; Rafique, Rashid; Reyer, Christopher; Rödenbeck, Christian; Schaphoff, Sibyll; Steinkamp, Jörg; Tian, Hanqin; Viovy, Nicolas; Yang, Jia; Zeng, Ning; Zhao, Fang

    2017-04-01

    The purpose of this study is to evaluate the eight ISIMIP2a biome models against independent estimates of long-term net carbon fluxes (i.e. Net Biome Productivity, NBP) over terrestrial ecosystems for the recent four decades (1971-2010). We evaluate modeled global NBP against 1) the updated global residual land sink (RLS) plus land use emissions (E LUC) from the Global Carbon Project (GCP), presented as R + L in this study by Le Quéré et al (2015), and 2) the land CO2 fluxes from two atmospheric inversion systems: Jena CarboScope s81_v3.8 and CAMS v15r2, referred to as F Jena and F CAMS respectively. The model ensemble-mean NBP (that includes seven models with land-use change) is higher than but within the uncertainty of R + L, while the simulated positive NBP trend over the last 30 yr is lower than that from R + L and from the two inversion systems. ISIMIP2a biome models well capture the interannual variation of global net terrestrial ecosystem carbon fluxes. Tropical NBP represents 31 ± 17% of global total NBP during the past decades, and the year-to-year variation of tropical NBP contributes most of the interannual variation of global NBP. According to the models, increasing Net Primary Productivity (NPP) was the main cause for the generally increasing NBP. Significant global NBP anomalies from the long-term mean between the two phases of El Niño Southern Oscillation (ENSO) events are simulated by all models (p < 0.05), which is consistent with the R + L estimate (p = 0.06), also mainly attributed to NPP anomalies, rather than to changes in heterotrophic respiration (Rh). The global NPP and NBP anomalies during ENSO events are dominated by their anomalies in tropical regions impacted by tropical climate variability. Multiple regressions between R + L, F Jena and F CAMS interannual variations and tropical climate variations reveal a significant negative response of global net terrestrial ecosystem carbon fluxes to tropical mean annual temperature variation

  17. Benchmarking carbon fluxes of the ISIMIP2a biome models

    DOE PAGES

    Chang, Jinfeng; Ciais, Philippe; Wang, Xuhui; ...

    2017-03-28

    The purpose of this study is to evaluate the eight ISIMIP2a biome models against independent estimates of long-term net carbon fluxes (i.e. Net Biome Productivity, NBP) over terrestrial ecosystems for the recent four decades (1971–2010). Here, we evaluate modeled global NBP against 1) the updated global residual land sink (RLS) plus land use emissions (ELUC) from the Global Carbon Project (GCP), presented as R + L in this study by Le Quéré et al (2015), and 2) the land CO2 fluxes from two atmospheric inversion systems: Jena CarboScope s81_v3.8 and CAMS v15r2, referred to as FJena and FCAMS respectively. Themore » model ensemble-mean NBP (that includes seven models with land-use change) is higher than but within the uncertainty of R + L, while the simulated positive NBP trend over the last 30 yr is lower than that from R + L and from the two inversion systems. ISIMIP2a biome models well capture the interannual variation of global net terrestrial ecosystem carbon fluxes. Tropical NBP represents 31 ± 17% of global total NBP during the past decades, and the year-to-year variation of tropical NBP contributes most of the interannual variation of global NBP. According to the models, increasing Net Primary Productivity (NPP) was the main cause for the generally increasing NBP. Significant global NBP anomalies from the long-term mean between the two phases of El Niño Southern Oscillation (ENSO) events are simulated by all models (p < 0.05), which is consistent with the R + L estimate (p = 0.06), also mainly attributed to NPP anomalies, rather than to changes in heterotrophic respiration (Rh). The global NPP and NBP anomalies during ENSO events are dominated by their anomalies in tropical regions impacted by tropical climate variability. Multiple regressions between R + L, FJena and FCAMS interannual variations and tropical climate variations reveal a significant negative response of global net terrestrial ecosystem carbon fluxes to tropical mean annual temperature

  18. Carbon Dioxide Sequestration by Using a Model Carbonic Anhydrase Complex in Tertiary Amine Medium.

    PubMed

    Sivanesan, Dharmalingam; Choi, Youngju; Lee, Jiyeon; Youn, Min Hye; Park, Ki Tae; Grace, Andrew Nirmala; Kim, Hak-Joo; Jeong, Soon Kwan

    2015-12-07

    Globally, the elevation of carbon dioxide (CO2 ) levels due to the anthropogenic effect poses a serious threat to the ecosystem. Hence, it is important to control and/or mitigate the level of CO2 in the atmosphere, which necessitates novel tools. Herein, it is proposed to improve CO2 sequestration by using model complexes based on the enzyme carbonic anhydrase (CA) in aqueous tertiary amine medium. The effect of substituents on the model CA model complexes on CO2 absorption and desorption was determined by using a stopped-flow spectrophotometer to follow pH changes through coupling to pH indicator and a continuous stirred-tank reactor (CSTR). The CO2 hydration rate constants were determined under basic conditions and compound 6, which contained a hydrophilic group, showed the highest absorption or hydration levels of CO2 (2.860×10(3)  L mol(-1)  s(-1) ). In addition, CSTR results for the absorption and desorption of CO2 suggest that simple model CA complexes could be used in post-combustion processing. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Controls of soil carbon stock development – comparison of Swedish forest soil carbon inventory measurements and two process based models

    NASA Astrophysics Data System (ADS)

    Ťupek, Boris; Ortiz, Carina; Stendahl, Johan; Hashimoto, Shoji; Dahlgren, Jonas; Lehtonen, Aleksi

    2015-04-01

    The key question in greenhouse gas research, whether the soils continue to sequester carbon under the conditions of climate change, is mainly evaluated by process based modelling. However, the models based on key processes of carbon cycle ignore more complex environmental effects for the sake of simplicity. In our study, based on extensive measurements of Swedish forest soil carbon inventory, we used the recursive partitioning and boosted regression trees methods to identify the governing controls of soil carbon stocks, and for these controls we compared the carbon stocks of measurements with carbon estimates of Yasso07 and CENTURY state of art models. The models were strongly vegetation and weather driven, whereas the soil carbon stocks of measurements were controlled mainly by the soil factors (e.g. cation exchange capacity, C/N ratio). Contrary to our expectation, the more complex CENTURY, which indirectly accounted for the exchangeable cations by incorporating the clay content into the model structure, still heavily depended on the amount of litter input and generally performed worse, than simpler Yasso07, that ignored the soil properties. When estimating the carbon stock for the specific soil type management, the soil properties should be considered while keeping the plant-weather related processes and parameters in their calibrated optimum.

  20. Experimental study and modeling of swelling and bubble growth in carbon nanofiber filled mesophase pitch during carbonization

    NASA Astrophysics Data System (ADS)

    Calebrese, Christopher

    Graphite and all carbon bipolar plates show corrosion resistance in fuel cells and provide good electrical conductivity. These materials typically need to be individually machined, a time consuming and costly process. Mesophase pitch is used to manufacture carbon fibers and carbon-carbon composites. This material provides a good starting point for the production of a moldable, all carbon bipolar plate. However, processing of mesophase pitch to produce all carbon materials requires a time intensive oxidation step to prevent swelling during carbonization. In this work, carbon nanofibers were used to reduce swelling in mesophase pitch. It was found that the increase in viscosity with the addition of carbon nanofibers was responsible for the reduction in swelling. The influence of the filler became apparent above the percolation threshold. At loadings below the percolation threshold, the swelling of the mesophase pitch was not reduced after carbonization. The swelling of the mesophase pitch at a given carbon nanofiber loading was also dependent on the length of the carbon nanofibers. Longer carbon nanofibers led to greater increases in the viscosity of the melt and thus led to greater reduction in swelling. The final carbon product was evaluated for use as a low temperature fuel cell bipolar plate material. Constraining the mesophase pitch during carbonization led to a final product with strength and electrical conductivity comparable to current composite bipolar plate materials. The addition of micron size chopped glass fibers with a softening point near 850°C and carbon nanofibers led to a final product with air permeability less than that of graphite. A spherically symmetric, single bubble growth model was also developed. The model included temperature dependence, liquid to bubble mass transfer and reactions in the system. Results from simulations showed that that the increase in viscosity due to the addition of carbon nanofibers slows the growth of bubbles, but

  1. Tractable Chemical Models for CVD of Silicon and Carbon

    NASA Technical Reports Server (NTRS)

    Blanquet, E.; Gokoglu, S. A.

    1993-01-01

    Tractable chemical models are validated for the CVD of silicon and carbon. Dilute silane (SiH4) and methane (CH4) in hydrogen are chosen as gaseous precursors. The chemical mechanism for each systems Si and C is deliberately reduced to three reactions in the models: one in the gas phase and two at the surface. The axial-flow CVD reactor utilized in this study has well-characterized flow and thermal fields and provides variable deposition rates in the axial direction. Comparisons between the experimental and calculated deposition rates are made at different pressures and temperatures.

  2. The "Carbon Data Explorer": Web-Based Space-Time Visualization of Modeled Carbon Fluxes

    NASA Astrophysics Data System (ADS)

    Billmire, M.; Endsley, K. A.

    2014-12-01

    The visualization of and scientific "sense-making" from large datasets varying in both space and time is a challenge; one that is still being addressed in a number of different fields. The approaches taken thus far are often specific to a given academic field due to the unique questions that arise in different disciplines, however, basic approaches such as geographic maps and time series plots are still widely useful. The proliferation of model estimates of increasing size and resolution further complicates what ought to be a simple workflow: Model some geophysical phenomen(on), obtain results and measure uncertainty, organize and display the data, make comparisons across trials, and share findings. A new tool is in development that is intended to help scientists with the latter parts of that workflow. The tentatively-titled "Carbon Data Explorer" (http://spatial.mtri.org/flux-client/) enables users to access carbon science and related spatio-temporal science datasets over the web. All that is required to access multiple interactive visualizations of carbon science datasets is a compatible web browser and an internet connection. While the application targets atmospheric and climate science datasets, particularly spatio-temporal model estimates of carbon products, the software architecture takes an agnostic approach to the data to be visualized. Any atmospheric, biophysical, or geophysical quanity that varies in space and time, including one or more measures of uncertainty, can be visualized within the application. Within the web application, users have seamless control over a flexible and consistent symbology for map-based visualizations and plots. Where time series data are represented by one or more data "frames" (e.g. a map), users can animate the data. In the "coordinated view," users can make direct comparisons between different frames and different models or model runs, facilitating intermodal comparisons and assessments of spatio-temporal variability. Map

  3. Significant inconsistency of vegetation carbon density in CMIP5 Earth system models against observational data: Vegetation Carbon Density in ESMs

    DOE PAGES

    Song, Xia; Hoffman, Forrest M.; Iversen, Colleen M.; ...

    2017-09-09

    Earth system models (ESMs) have been widely used for projecting global vegetation carbon dynamics, yet how well ESMs performed for simulating vegetation carbon density remains untested. Here we have compiled observational data of vegetation carbon density from literature and existing data sets to evaluate nine ESMs at site, biome, latitude, and global scales. Three variables—root (including fine and coarse roots), total vegetation carbon density, and the root:total vegetation carbon ratios (R/T ratios), were chosen for ESM evaluation. ESM models performed well in simulating the spatial distribution of carbon densities in root (r = 0.71) and total vegetation (r = 0.62).more » However, ESM models had significant biases in simulating absolute carbon densities in root and total vegetation biomass across the majority of land ecosystems, especially in tropical and arctic ecosystems. Particularly, ESMs significantly overestimated carbon density in root (183%) and total vegetation biomass (167%) in climate zones of 10°S–10°N. Substantial discrepancies between modeled and observed R/T ratios were found: the R/T ratios from ESMs were relatively constant, approximately 0.2 across all ecosystems, along latitudinal gradients, and in tropic, temperate, and arctic climatic zones, which was significantly different from the observed large variations in the R/T ratios (0.1–0.8). There were substantial inconsistencies between ESM-derived carbon density in root and total vegetation biomass and the R/T ratio at multiple scales, indicating urgent needs for model improvements on carbon allocation algorithms and more intensive field campaigns targeting carbon density in all key vegetation components.« less

  4. Carbon dioxide, climate and the deep ocean circulation: Carbon chemistry model. Final report

    SciTech Connect

    Menawat, A.S.

    1992-09-21

    The objective of this study was to investigate the role of oceanic carbon chemistry in modulating the atmospheric levels of CO{sub 2}. It is well known that the oceans are the primary sink of the excess carbon pumped into the atmosphere since the beginning of the industrial period. The suspended particulate and the dissolved organic matters in the deep ocean play important roles as carriers of carbon and other elements critical to the fate of CO{sub 2}. In addition, the suspended particulate matter provides sites for oxidation-reduction reactions and microbial activities. The problem is of an intricate system with complex chemical, physical and biological processes. This report describes a methodology to describe the interconversions of different forms of the organic and inorganic nutrients, that may be incorporated in the ocean circulation models. Our approach includes the driving force behind the transfers in addition to balancing the elements. Such thermodynamic considerations of describing the imbalance in the chemical potentials is a new and unique feature of our approach.

  5. Carbon dioxide, climate and the deep ocean circulation: Carbon chemistry model

    SciTech Connect

    Menawat, A.S.

    1992-09-21

    The objective of this study was to investigate the role of oceanic carbon chemistry in modulating the atmospheric levels of CO[sub 2]. It is well known that the oceans are the primary sink of the excess carbon pumped into the atmosphere since the beginning of the industrial period. The suspended particulate and the dissolved organic matters in the deep ocean play important roles as carriers of carbon and other elements critical to the fate of CO[sub 2]. In addition, the suspended particulate matter provides sites for oxidation-reduction reactions and microbial activities. The problem is of an intricate system with complex chemical, physical and biological processes. This report describes a methodology to describe the interconversions of different forms of the organic and inorganic nutrients, that may be incorporated in the ocean circulation models. Our approach includes the driving force behind the transfers in addition to balancing the elements. Such thermodynamic considerations of describing the imbalance in the chemical potentials is a new and unique feature of our approach.

  6. Modeling the kinetics of carbon coagulation in explosives detonation

    NASA Astrophysics Data System (ADS)

    Ree, F. H.; Viecelli, J. A.; Glosli, J. N.

    1998-05-01

    A typical insensitive high explosive such as LX-17 has a large carbon content. The detonation behavior of these explosives is affected by a slow coagulation of carbon atoms by diffusion and their possible transformation from one chemical bonding type to another. We have used the Brenner bond order potential to compute the melting line of diamond at high pressure and high temperature by molecular dynamics and Monte Carlo simulations, with the goal to refine the potential for the study of the kinetics of the graphite diamond transition. The slow diffusion-controlled kinetics of carbon clusters has been examined by including a time-dependent surface correction to the Gibbs free energy of these clusters in the nonequilibrium CHEQ code. We also propose a new explosive burn model which incorporates a partial release of the heat of detonation in a fast reaction zone, followed by a diffusion-limited release of the remaining energy. Hydrodynamic applications of the new burn model to LX-17 show that computed expansion and compression results both agree closely with experimental data.

  7. Electron percolation in realistic models of carbon nanotube networks

    NASA Astrophysics Data System (ADS)

    Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain

    2015-09-01

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  8. Electron percolation in realistic models of carbon nanotube networks

    SciTech Connect

    Simoneau, Louis-Philippe Villeneuve, Jérémie Rochefort, Alain

    2015-09-28

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  9. Modeling of Carbon Migration During JET Injection Experiments

    SciTech Connect

    Strachan, J. D.; Likonen, J.; Coad, P.; Rubel, M.; Widdowson, A.; Airila, M.; Andrew, P.; Brezinsek, S.; Corrigan, G.; Esser, H. G.; Jachmich, S.; Kallenbach, A.; Kirschner, A.; Kreter, A.; Matthews, G. F.; Philipps, V.; Pitts, R. A.; Spence, J.; Stamp, M.; Wiesen, S.

    2008-10-15

    JET has performed two dedicated carbon migration experiments on the final run day of separate campaigns (2001 and 2004) using {sup 13}CH{sub 4} methane injected into repeated discharges. The EDGE2D/NIMBUS code modelled the carbon migration in both experiments. This paper describes this modelling and identifies a number of important migration pathways: (1) deposition and erosion near the injection location, (2) migration through the main chamber SOL, (3) migration through the private flux region aided by E x B drifts, and (4) neutral migration originating near the strike points. In H-Mode, type I ELMs are calculated to influence the migration by enhancing erosion during the ELM peak and increasing the long-range migration immediately following the ELM. The erosion/re-deposition cycle along the outer target leads to a multistep migration of {sup 13}C towards the separatrix which is called 'walking'. This walking created carbon neutrals at the outer strike point and led to {sup 13}C deposition in the private flux region. Although several migration pathways have been identified, quantitative analyses are hindered by experimental uncertainty in divertor leakage, and the lack of measurements at locations such as gaps and shadowed regions.

  10. Modeling Carbon Export Out of Mature Peach Leaves.

    PubMed Central

    Moing, A.; Escobar-Gutierrez, A.; Gaudillere, J. P.

    1994-01-01

    The characteristics of sorbitol and sucrose export out of mature leaves in seedlings of peach (Prunus persica L. Batsch cv GF 305) were investigated by simulating carbon fluxes through the leaf. Three treatments were employed: a control treatment and two treatments modifying leaf export, the latter using either shading or girdling. Photosynthesis and 14C partitioning into sorbitol and sucrose were measured during carbohydrate pool buildup at the beginning of the photoperiod, and the export rate of sorbitol and sucrose was modeled using a PSPICE (Simulation Program with Integrated Circuit Emphasis) simulator. The simulation allowed prediction of the resulting sorbitol and sucrose contents, which were compared to experimental carbohydrate contents. The apparent Km for sorbitol and sucrose phloem loading, estimated by carbon flux modeling, was 6.6 and 4 mol m-3, respectively. The predicted export capacity of the leaf, characterized by the estimated Vmax values for phloem loading of sorbitol and sucrose, was similar to the photosynthetic carbon flux measured under the leaf growth conditions. This export capacity was enhanced in plants in which all leaves except those studied were shaded. The mature leaf had a higher storage capacity for sorbitol than for sucrose in control plants, especially in the girdled treatment. Sucrose content appears to be tightly regulated. PMID:12232352

  11. Organic carbon cycling in landfills: Model for a continuum approach

    SciTech Connect

    Bogner, J.; Lagerkvist, A.

    1997-09-01

    Organic carbon cycling in landfills can be addressed through a continuum model where the end-points are conventional anaerobic digestion of organic waste (short-term analogue) and geologic burial of organic material (long-term analogue). Major variables influencing status include moisture state, temperature, organic carbon loading, nutrient status, and isolation from the surrounding environment. Bioreactor landfills which are engineered for rapid decomposition approach (but cannot fully attain) the anaerobic digester end-point and incur higher unit costs because of their high degree of environmental isolation and control. At the other extreme, uncontrolled land disposal of organic waste materials is similar to geologic burial where organic carbon may be aerobically recycled to atmospheric CO{sub 2}, anaerobically converted to CH{sub 4} and CO{sub 2} during early diagenesis, or maintained as intermediate or recalcitrant forms into geologic time (> 1,000 years) for transformations via kerogen pathways. A family of improved landfill models are needed at several scales (molecular to landscape) which realistically address landfill processes and can be validated with field data.

  12. Uncertain future soil carbon dynamics under global change predicted by models constrained by total carbon measurements.

    PubMed

    Luo, Zhongkui; Wang, Enli; Sun, Osbert J

    2017-01-23

    Pool-based carbon (C) models are widely applied to predict soil C dynamics under global change and infer underlying mechanisms. However, it is unclear about the credibility of model-predicted C pool size, decay rate (k) and/or microbial C use efficiency (e) as only data on bulked total C is usually available for model-constraining. Using observing system simulation experiments (OSSE), we constrained a two-pool model using simulated datasets of total soil C dynamics under topical hypotheses on responses of soil C dynamics to warming and elevated CO2 (i.e., global change scenarios). The results indicated that the model predicted great uncertainties in C pool size, k and e under all global change scenarios, resulting in the difficulty to correctly infer the presupposed "real" values of those parameters that are used to generate the simulated total soil C for constraining the model. Furthermore, the model using the constrained parameters generated divergent future soil C dynamics. Compared with the predictions using the presupposed real parameters (i.e., the real future C dynamics), the percentage uncertainty in 100-year predictions using the constrained parameters was up to 45% depending on global change scenarios and data availability for model-constraining. Such great uncertainty was mainly due to the high collinearity among the model parameters. Using pool-based models, we argue that soil C pool size, k and/or e and their responses to global change have to be estimated explicitly and empirically, rather than through model-fitting, in order to accurately predict C dynamics and infer underlying mechanisms. The OSSE approach provides a powerful way to identify data requirement for the new generation of model development and test model performance. This article is protected by copyright. All rights reserved.

  13. Doped carbon nanotubes as a model system of biased graphene

    NASA Astrophysics Data System (ADS)

    Szirmai, P.; Márkus, B. G.; Dóra, B.; Fábián, G.; Koltai, J.; Zólyomi, V.; Kürti, J.; Náfrádi, B.; Forró, L.; Pichler, T.; Simon, F.

    2017-08-01

    Albeit difficult to access experimentally, the density of states (DOS) is a key parameter in solid-state systems, which governs several important phenomena including transport, magnetism, thermal, and thermoelectric properties. We study DOS in an ensemble of potassium intercalated single-wall carbon nanotubes and show, using electron spin resonance spectroscopy, that a sizable number of electron states are present, which gives rise to a Fermi-liquid behavior in this material. A comparison between theoretical and the experimental DOS indicates that it does not display significant correlation effects, even though the pristine nanotube material shows a Luttinger-liquid behavior. We argue that the carbon nanotube ensemble essentially maps out the whole Brillouin zone of graphene, thus it acts as a model system of biased graphene.

  14. Circulation of carbon dioxide in the mantle: multiscale modeling

    NASA Astrophysics Data System (ADS)

    Morra, G.; Yuen, D. A.; Lee, S.

    2012-12-01

    Much speculation has been put forward on the quantity and nature of carbon reservoirs in the deep Earth, because of its involvement in the evolution of life at the surface and inside planetary interiors. Carbon penetrates into the Earth's mantle mostly during subduction of oceanic crust, which contains carbonate deposits [1], however the form that it assumes at lower mantle depths is scarcely understood [2], hampering our ability to estimate the amount of carbon in the entire mantle by orders of magnitude. We present simulations of spontaneous degassing of supercritical CO2 using in-house developed novel implementations of the Fast-Multipole Boundary Element Method suitable for modeling two-phase flow (here mantle mineral and free CO2 fluid) through disordered materials such as porous rocks. Because the mutual interaction of droplets immersed either in a fluid or a solid matrix and their weakening effect to the host rock alters the strength of the mantle rocks, at the large scale the fluid phases in the mantle may control the creeping of mantle rocks [3]. In particular our study focuses on the percolation of supercritical CO2, estimated through the solution of the Laplace equation in a porous system, stochastically generated through a series of random Karhunen-Loeve decomposition. The model outcome is employed to extract the transmissivity of supercritical fluids in the mantle from the lowest scale up to the mantle scale and in combination with the creeping flow of the convecting mantle. The emerging scenarios on the global carbon cycle are finally discussed. [1] Boulard, E., et al., New host for carbon in the deep Earth. Proceedings of the National Academy of Sciences, 2011. 108(13): p. 5184-5187. [2] Walter, M.J., et al., Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions. Science, 2011. 334(6052): p. 54-57. [3] Morra, G., et al., Ascent of Bubbles in Magma Conduits Using Boundary Elements and Particles. Procedia Computer

  15. DESPOT, a process-based tree growth model that allocates carbon to maximize carbon gain.

    PubMed

    Buckley, Thomas N; Roberts, David W

    2006-02-01

    We present a new model of tree growth, DESPOT (Deducing Emergent Structure and Physiology Of Trees), in which carbon (C) allocation is adjusted in each time step to maximize whole-tree net C gain in the next time step. Carbon gain, respiration and the acquisition and transport of substitutable photosynthetic resources (nitrogen, water and light) are modeled on a process basis. The current form of DESPOT simulates a uniform, monospecific, self-thinning stand. This paper describes DESPOT and its general behavior in comparison to published data, and presents an evaluation of the sensitivity of its qualitative predictions by Monte Carlo parameter sensitivity analysis. DESPOT predicts determinate height growth and steady stand-level net primary productivity (NPP), but slow declines in aboveground NPP and leaf area index. Monte Carlo analysis, wherein the model was run repeatedly with randomly different parameter sets, revealed that many parameter sets do not lead to sustainable NPP. Of those that do lead to sustainable growth, the ratios at maturity of net to gross primary productivity and of leaf area to sapwood area are highly conserved.

  16. Characterization and Modeling Of Microbial Carbon Metabolism In Thawing Permafrost

    NASA Astrophysics Data System (ADS)

    Graham, D. E.; Phelps, T. J.; Xu, X.; Carroll, S.; Jagadamma, S.; Shakya, M.; Thornton, P. E.; Elias, D. A.

    2012-12-01

    Increased annual temperatures in the Arctic are warming the surface and subsurface, resulting in thawing permafrost. Thawing exposes large pools of buried organic carbon to microbial degradation, increasing greenhouse gas generation and emission. Most global-scale land-surface models lack depth-dependent representations of carbon conversion and GHG transport; therefore they do not adequately describe permafrost thawing or microbial mineralization processes. The current work was performed to determine how permafrost thawing at moderately elevated temperatures and anoxic conditions would affect CO2 and CH4 generation, while parameterizing depth-dependent GHG production processes with respect to temperature and pH in biogeochemical models. These enhancements will improve the accuracy of GHG emission predictions and identify key biochemical and geochemical processes for further refinement. Three core samples were obtained from discontinuous permafrost terrain in Fairbanks, AK with a mean annual temperature of -3.3 °C. Each core was sectioned into surface/near surface (0-0.8 m), active layer (0.8-1.6 m), and permafrost (1.6-2.2 m) horizons, which were homogenized for physico-chemical characterization and microcosm construction. Surface samples had low pH values (6.0), low water content (18% by weight), low organic carbon (0.8%), and high C:N ratio (43). Active layer samples had higher pH values (6.4), higher water content (34%), more organic carbon (1.4%) and a lower C:N ratio (24). Permafrost samples had the highest pH (6.5), highest water content (46%), high organic carbon (2.5%) and the lowest C:N ratio (19). Most organic carbon was quantified as labile or intermediate pool versus stable pool in each sample, and all samples had low amounts of carbonate. Surface layer microcosms, containing 20 g sediment in septum-sealed vials, were incubated under oxic conditions, while similar active and permafrost layer samples were anoxic. These microcosms were incubated at -2

  17. A heterogeneous model for gas transport in carbon molecular sieves.

    PubMed

    Ding, L P; Yuan, Y X; Farooq, S; Bhatia, S K

    2005-01-18

    A dual resistance model with distribution of either barrier or pore diffusional activation energy is proposed in this work for gas transport in carbon molecular sieve (CMS) micropores. This is a novel approach in which the equilibrium is homogeneous, but the kinetics is heterogeneous. The model seems to provide a possible explanation for the concentration dependence of the thermodynamically corrected barrier and pore diffusion coefficients observed in previous studies from this laboratory on gas diffusion in CMS. The energy distribution is assumed to follow the gamma distribution function. It is shown that the energy distribution model can fully capture the behavior described by the empirical model established in earlier studies to account for the concentration dependence of thermodynamically corrected barrier and pore diffusion coefficients. A methodology is proposed for extracting energy distribution parameters, and it is further shown that the extracted energy distribution parameters can effectively predict integral uptake and column breakthrough profiles over a wide range of operating pressures.

  18. A Shell Model for Free Vibration Analysis of Carbon Nanoscroll

    PubMed Central

    Taraghi Osguei, Amin; Ahmadian, Mohamad Taghi; Asghari, Mohsen; Pugno, Nicola Maria

    2017-01-01

    Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy including strain energy, kinetic energy, and van der Waals energy are minimized using the Rayleigh-Ritz technique. The first-order shear deformation theory has been utilized to model the shell. Chebyshev polynomials of first kind are used to obtain the eigenvalue matrices. The natural frequencies and corresponding mode shapes of CNS in different boundary conditions are evaluated. The effect of electric field in axial direction on the natural frequencies and mode shapes of CNS is investigated. The results indicate that, as the electric field increases, the natural frequencies decrease. PMID:28772748

  19. A Shell Model for Free Vibration Analysis of Carbon Nanoscroll.

    PubMed

    Taraghi Osguei, Amin; Ahmadian, Mohamad Taghi; Asghari, Mohsen; Pugno, Nicola Maria

    2017-04-06

    Carbon nanoscroll (CNS) is a graphene sheet rolled into a spiral structure with great potential for different applications in nanotechnology. In this paper, an equivalent open shell model is presented to study the vibration behavior of a CNS with arbitrary boundary conditions. The equivalent parameters used for modeling the carbon nanotubes are implemented to simulate the CNS. The interactions between the layers of CNS due to van der Waals forces are included in the model. The uniformly distributed translational and torsional springs along the boundaries are considered to achieve a unified solution for different boundary conditions. To study the vibration characteristics of CNS, total energy including strain energy, kinetic energy, and van der Waals energy are minimized using the Rayleigh-Ritz technique. The first-order shear deformation theory has been utilized to model the shell. Chebyshev polynomials of first kind are used to obtain the eigenvalue matrices. The natural frequencies and corresponding mode shapes of CNS in different boundary conditions are evaluated. The effect of electric field in axial direction on the natural frequencies and mode shapes of CNS is investigated. The results indicate that, as the electric field increases, the natural frequencies decrease.

  20. Flow induced orientation in carbon nanotube suspensions: Modeling and experiments

    NASA Astrophysics Data System (ADS)

    Natale, Giovanniantonio

    shearing direction were studied. To correlate the microstructure with the rheological data, two different routes were undertaken. The first route involved rheo-optical analysis. Dichroism was investigated for suspensions belonging to the dilute and semi-dilute regimes. Direct information on dispersion, orientation evolution during flow and Brownian motion were obtained. The second route consisted in developing new rheological models in order to correlate micro-scale information to the evolution of the related stress tensor or refractive index tensor. In the dilute regime, the nanotubes were modeled as flexible particles. A modified two-rod model was used, allowing non-straight equilibrium conformations. In more concentrated regimes, the dynamic of the system is controlled by rod-rod interactions. The nanotubes were modeled as inertialess rigid rods and the system orientation state is influenced by interactions via non-linear lubrication forces, hydrodynamic forces and Brownian motion. The comparison of the experimental results with the models predictions allowed to quantify the fundamental mechanisms behind the microstructure evolution of CNT suspensions. To further differentiate the rheology of CNT suspensions, the model predictions were also confronted with the experimental data for a microsize particle suspension: glass fiber-filled polybutene [Sepehr et al. (2004b)]. In the case of the micro-size particles, the model predictions confirmed that the rheological response of the system was controlled by orientation effects while interactions were dominant in the case of CNT suspensions. Hence, this work explores the connections between the bulk rheology of carbon nanotube suspensions and their microstructural evolution. This is the first step towards the design of new processing schemes in order to completely exploit carbon nanotube unique properties.

  1. Modeling carbon stocks in a secondary tropical dry forest in the Yucatan Peninsula, Mexico

    Treesearch

    Zhaohua Dai; Richard A. Birdsey; Kristofer D. Johnson; Juan Manuel Dupuy; Jose Luis Hernandez-Stefanoni; Karen. Richardson

    2014-01-01

    The carbon balance of secondary dry tropical forests of Mexico’s Yucatan Peninsula is sensitive to human and natural disturbances and climate change. The spatially explicit process model Forest-DeNitrification-DeComposition (DNDC) was used to estimate forest carbon dynamics in this region, including the effects of disturbance on carbon stocks. Model evaluation using...

  2. Process-oriented modelling to identify main drivers of erosion-induced carbon fluxes

    NASA Astrophysics Data System (ADS)

    Wilken, Florian; Sommer, Michael; Van Oost, Kristof; Bens, Oliver; Fiener, Peter

    2017-05-01

    Coupled modelling of soil erosion, carbon redistribution, and turnover has received great attention over the last decades due to large uncertainties regarding erosion-induced carbon fluxes. For a process-oriented representation of event dynamics, coupled soil-carbon erosion models have been developed. However, there are currently few models that represent tillage erosion, preferential water erosion, and transport of different carbon fractions (e.g. mineral bound carbon, carbon encapsulated by soil aggregates). We couple a process-oriented multi-class sediment transport model with a carbon turnover model (MCST-C) to identify relevant redistribution processes for carbon dynamics. The model is applied for two arable catchments (3.7 and 7.8 ha) located in the Tertiary Hills about 40 km north of Munich, Germany. Our findings indicate the following: (i) redistribution by tillage has a large effect on erosion-induced vertical carbon fluxes and has a large carbon sequestration potential; (ii) water erosion has a minor effect on vertical fluxes, but episodic soil organic carbon (SOC) delivery controls the long-term erosion-induced carbon balance; (iii) delivered sediments are highly enriched in SOC compared to the parent soil, and sediment delivery is driven by event size and catchment connectivity; and (iv) soil aggregation enhances SOC deposition due to the transformation of highly mobile carbon-rich fine primary particles into rather immobile soil aggregates.

  3. Synthesis, characterization, and modeling of hydrogen storage in carbon aerogels

    SciTech Connect

    Pekala, R.W.; Coronado, P.R.; Calef, D.F.

    1995-04-01

    Carbon aerogels are a special class of open-cell foams with an ultrafine cell/pore size (<50 nm), high surface area (600-800 m{sup 2}/g), and a solid matrix composed of interconnected colloidal-like particles or fibers with characteristic diameters of 10 nm. These materials are usually synthesized from the sol-gel polymerization of resorcinol-formaldehyde or phenolic-furfural, followed by supercritical extraction of the solvent and pyrolysis in an inert atmosphere. The resultant aerogel has a nanocrystalline structure with micropores (<2 nm diameter) located within the solid matrix. Carbon aerogel monoliths can be prepared at densities ranging from 0.05-1.0 g/cm{sup 3}, leading to volumetric surface areas (> 500 m{sup 2}/cm{sup 3}) that are much larger than commercially available materials. This research program is directed at optimization of the aerogel structure for maximum hydrogen adsorption over a wide range of temperatures and pressures. Computer modeling of hydrogen adsorption at carbon surfaces was also examined.

  4. Observed and modeled carbon and energy fluxes for agricultural sites under North American Carbon Program site-level interim synthesis

    NASA Astrophysics Data System (ADS)

    Lokupitiya, E. Y.; Denning, A.

    2010-12-01

    Croplands are unique, man-made ecosystems with dynamics mostly dependent on human decisions. Crops uptake a significant amount of Carbon dioxide (CO2) during their short growing seasons. Reliability of the available models to predict the carbon exchanges by croplands is important in estimating the cropland contribution towards overall land-atmosphere carbon exchange and global carbon cycle. The energy exchanges from croplands include both sensible and latent heat fluxes. This study focuses on analyzing the performance of 19 land surface models across five agricultural sites under the site-level interim synthesis of North American Carbon Program (NACP). Model simulations were performed using a common simulation protocol and input data, including gap-filled meteorological data corresponding to each site. The net carbon fluxes (i.e. net ecosystem exchange; NEE) and energy fluxes (sensible and latent heat) predicted by 12 models with sub-hourly/hourly temporal resolution and 7 models with daily temporal resolution were compared against the site-specific gap-filled observed flux tower data. Comparisons were made by site and crop type (i.e. maize, soybean, and wheat), mainly focusing on the coefficient of determination, correlation, root mean square error, and standard deviation. Analyses also compared the diurnal, seasonal, and inter-annual variability of the modeled fluxes against the observed data and the mean modeled data.

  5. Webinar Presentation: Particle-Resolved Simulations for Quantifying Black Carbon Climate Impact and Model Uncertainty

    EPA Pesticide Factsheets

    This presentation, Particle-Resolved Simulations for Quantifying Black Carbon Climate Impact and Model Uncertainty, was given at the STAR Black Carbon 2016 Webinar Series: Changing Chemistry over Time held on Oct. 31, 2016.

  6. Modelling carbon isotope composition of dissolved inorganic carbon and methane in marine porewaters

    NASA Astrophysics Data System (ADS)

    Meister, Patrick; Liu, Bo; Khalili, Arzhang; Barker Jørgensen, Bo

    2014-05-01

    Carbon isotope compositions of dissolved inorganic carbon (DIC) and methane (CH4) in marine sedimentary porewaters at near surface temperatures show extremely large variation in apparent fractionation covering a range from -100 ‰ to +30 ‰. This fractionation is essentially the result of microbial activity, but the mechanisms and factors controlling this fractionation are still incompletely understood. This study provides a reaction transport model approach to evaluate the effects of the most important processes and factors on carbon isotope distribution with the goal to better understand carbon isotope distribution in modern sediment porewaters and in the geological record. Our model results show that kinetic fractionation during methanogenesis, both through the acetoclastic and autotrophic pathways, results in a nearly symmetrical distribution of δ13C values in DIC and CH4 with respect to the isotope value of buried organic matter. An increased fractionation factor during methanogenesis leads to a larger difference between δ13CDIC and δ13CCH4. Near the sulphate methane transition zone, DIC is more depleted in 13C due to diffusive mixing with DIC produced by anaerobic oxidation of methane (AOM) and organoclastic sulphate reduction. The model also shows that an upward decrease in δ13CCH4 near the SMT can only be caused by equilibrium fractionation during AOM including a backward "leakage" of carbon from DIC to CH4 through the enzymatic pathway. However, this effect of reversibility has no influence on the DIC pool as long as methane is completely consumed at the SMT. Only a release of methane at the sediment-water interface, due to a fraction of the methane escaping re-oxidation, results in a small shift towards more positive δ13CDIC values. Methane escape at the SMT is possible if either the methane flux is too high to be entirely oxidized by AOM, or if bubbles of methane gas by-pass the sulphate reduction zone and escape episodically into the water column

  7. Multiphase modeling of geologic carbon sequestration in saline aquifers.

    PubMed

    Bandilla, Karl W; Celia, Michael A; Birkholzer, Jens T; Cihan, Abdullah; Leister, Evan C

    2015-01-01

    Geologic carbon sequestration (GCS) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS. Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local-scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO2 migration at one site to examine details of CO2 migration under the caprock. © 2015, National Ground Water Association.

  8. Age-dependent forest carbon sink: Estimation via inverse modeling

    NASA Astrophysics Data System (ADS)

    Zhou, Tao; Shi, Peijun; Jia, Gensuo; Dai, Yongjiu; Zhao, Xiang; Shangguan, Wei; Du, Ling; Wu, Hao; Luo, Yiqi

    2015-12-01

    Forests have been recognized to sequester a substantial amount of carbon (C) from the atmosphere. However, considerable uncertainty remains regarding the magnitude and time course of the C sink. Revealing the intrinsic relationship between forest age and C sink is crucial for reducing uncertainties in prediction of forest C sink potential. In this study, we developed a stepwise data assimilation approach to combine a process-based Terrestrial ECOsystem Regional model, observations from multiple sources, and stochastic sampling to inversely estimate carbon cycle parameters including carbon sink at different forest ages for evergreen needle-leaved forests in China. The new approach is effective to estimate age-dependent parameter of maximal light-use efficiency (R2 = 0.99) and, accordingly, can quantify a relationship between forest age and the vegetation and soil C sinks. The estimated ecosystem C sink increases rapidly with age, peaks at 0.451 kg C m-2 yr-1 at age 22 years (ranging from 0.421 to 0.465 kg C m-2 yr-1), and gradually decreases thereafter. The dynamic patterns of C sinks in vegetation and soil are significantly different. C sink in vegetation first increases rapidly with age and then decreases. C sink in soil, however, increases continuously with age; it acts as a C source when the age is less than 20 years, after which it acts as a sink. For the evergreen needle-leaved forest, the highest C sink efficiency (i.e., C sink per unit net primary productivity) is approximately 60%, with age between 11 and 43 years. Overall, the inverse estimation of carbon cycle parameters can make reasonable estimates of age-dependent C sequestration in forests.

  9. Integrated Assessment Modeling of Carbon Sequestration and Land Use Emissions Using Detailed Model Results and Observations

    SciTech Connect

    Dr. Atul Jain

    2005-04-17

    This report outlines the progress on the development and application of Integrated Assessment Modeling of Carbon Sequestrations and Land Use Emissions supported by the DOE Office of Biological and Environmental Research (OBER), U.S. Department of Energy, Grant No. DOE-DE-FG02-01ER63069. The overall objective of this collaborative project between the University of Illinois at Urbana-Champaign (UIUC), Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL) was to unite the latest advances in carbon cycle research with scientifically based models and policy-related integrated assessment tools that incorporate computationally efficient representations of the latest knowledge concerning science and emission trajectories, and their policy implications. As part of this research we accomplished the following tasks that we originally proposed: (1) In coordination with LLNL and ORNL, we enhanced the Integrated Science Assessment Model's (ISAM) parametric representation of the ocean and terrestrial carbon cycles that better represent spatial and seasonal variations, which are important to study the mechanisms that influence carbon sequestration in the ocean and terrestrial ecosystems; (2) Using the MiniCAM modeling capability, we revised the SRES (IPCC Special Report on Emission Scenarios; IPCC, 2000) land use emission scenarios; and (3) On the application front, the enhanced version of ISAM modeling capability is applied to understand how short- and long-term natural carbon fluxes, carbon sequestration, and human emissions contribute to the net global emissions (concentrations) trajectories required to reach various concentration (emission) targets. Under this grant, 21 research publications were produced. In addition, this grant supported a number of graduate and undergraduate students whose fundamental research was to learn a disciplinary field in climate change (e.g., ecological dynamics and

  10. Modeling stand level carbon emissions from Canadian forest fires

    NASA Astrophysics Data System (ADS)

    de Groot, W. J.; McRae, D.

    2008-12-01

    wildland fire carbon emissions in Canada for international reporting, fire weather (FWI System) and pre-burn fuel data are used to calculate fire behaviour and determine fuel consumption for individual stand components (forest floor, aboveground live trees, standing dead snags, dead and downed woody debris) using the Boreal Fire Effects Model. A summary of these models, procedures, and levels of uncertainty, are presented.

  11. Modelling the side impact of carbon fibre tubes

    NASA Astrophysics Data System (ADS)

    Sudharsan, Ms R.; Rolfe, B. F., Dr; Hodgson, P. D., Prof

    2010-06-01

    Metallic tubes have been extensively studied for their crashworthiness as they closely resemble automotive crash rails. Recently, the demand to improve fuel economy and reduce vehicle emissions has led automobile manufacturers to explore the crash properties of light weight materials such as fibre reinforced polymer composites, metallic foams and sandwich structures in order to use them as crash barriers. This paper discusses the response of carbon fibre reinforced polymer (CFRP) tubes and their failure mechanisms during side impact. The energy absorption of CFRP tubes is compared to similar Aluminium tubes. The response of the CFRP tubes during impact was modelled using Abaqus finite element software with a composite fabric material model. The material inputs were given based on standard tension and compression test results and the in-plane damage was defined based on cyclic shear tests. The failure modes and energy absorption observed during the tests were well represented by the finite element model.

  12. Carbon Back Sputter Modeling for Hall Thruster Testing

    NASA Technical Reports Server (NTRS)

    Gilland, James H.; Williams, George J.; Burt, Jonathan M.; Yim, John T.

    2016-01-01

    In support of wear testing for the Hall Effect Rocket with Magnetic Shielding (HERMeS) program, the back sputter from a Hall effect thruster plume has been modeled for the NASA Glenn Research Centers Vacuum Facility 5. The predicted wear at a near-worst case condition of 600 V, 12.5 kW was found to be on the order of 3 4 mkhour in a fully carbon-lined chamber. A more detailed numerical monte carlo code was also modified to estimate back sputter for a detailed facility and pumping configuration. This code demonstrated similar back sputter rate distributions, but is not yet accurately modeling the magnitudes. The modeling has been benchmarked to recent HERMeS wear testing, using multiple microbalance measurements. These recent measurements have yielded values, on the order of 1.5- 2 microns/khour.

  13. Modeling the carbon monoxide dissipation in Timisoara, Romania.

    PubMed

    Barbulescu, Alina; Barbes, Lucica

    2017-02-26

    Modeling the evolution of pollutants' concentration is important for predicting their impact on the human health and implementing measures for a sustainable development and environmental protection. Since the carbon dioxide (CO) is one of the main pollutants that affect the urban environment, the present study aimed at building a model for the evolution of the mean daily and monthly concentration in Timisoara, Romania. We found a non-linear direct dependence of CO concentration on the temperature and humidity and an inverse proportional relationship with the wind speed. The models have been linearized and validated by statistical tests. The extreme values distributions have also been detected, and comparisons of the data with the admissible values are provided.

  14. Carbon Residence Time Explains Changes in Predicted 21st Century Vegetation Carbon across CMIP5 Earth System Models

    NASA Astrophysics Data System (ADS)

    Jiang, L.; Liang, J.; Luo, Y.

    2015-12-01

    Global averaged surface temperature has increased by 0.6 °C over the period 1986 to 2005; and will continue rising 1.0-3.7 °C during the last 30 years of this century. Land ecosystems can sequester approximately one third of annual anthropogenic carbon dioxide emission. Therefore, dynamics of land sink is one of the key components to determine the future atmospheric CO2 concentration and accordingly surface temperature. The accuracy of predicted surface temperature will largely depend on the uncertainty of predicted land carbon uptake. Unfortunately, the uncertainties of future land sink predicted by Earth System Models (ESMs) involved in CMIP5 turned out to be very large. The spread of the land carbon uptake within a specific Representative Concentration Pathway (RCP) scenario was larger than those variation between the four scenarios. Moreover, predicted soil carbon stocks by the end of this century extended to a wide range. Quantifying the uncertainties in predicted vegetation carbon and identifying the causes for the uncertainties will help improve ESMs' performance and give the priorities for model development. In this study, we investigated uncertainties in projections of vegetation carbon by twelve CMIP5 ESMs during the twenty-first century and explored the sources of uncertainties across the models. We found that the predicted changes of vegetation carbon by the end of this century varied quite much across the ESMs under the RCP8.5 scenario, from declining of 190 Pg C to increasing of 320 Pg C. These changes of vegetation carbon can be attributed mostly to the changes in carbon residence time, rather than net primary productivity. We further investigated model's differences in their responses of vegetation carbon to temperature, precipitation and CO2 among the ESMs. Our results have the potential to help improve CMIP5 ESMs for more reliable predictions.

  15. Modeling mechanical energy storage in springs based on carbon nanotubes.

    PubMed

    Hill, F A; Havel, T F; Livermore, C

    2009-06-24

    A modeling study of the potential for storing energy in the elastic deformation of springs comprised of carbon nanotubes (CNTs) is presented. Analytic models were generated to estimate the ideal achievable energy density in CNTs subject to axial tension, compression, bending and torsion, taking into account limiting mechanisms such as the strength of individual CNTs, the onset of buckling, and the packing density limitations of CNT groupings. The stored energy density in CNT springs is predicted to be highest under tensile loading, with maximum values more than three orders of magnitude greater than the energy density of steel springs, and approximately eight times greater than the energy density of lithium-ion batteries. Densely packed bundles of precisely aligned, small diameter single-walled carbon nanotubes are identified as the best structure for high performance springs. The conceptual design and modeling of a portable electric power source that stores energy in a CNT spring are presented as tools for studying the potential performance of a system for generating electricity from the CNTs' stored mechanical energy.

  16. Memristive model of hysteretic field emission from carbon nanotube arrays

    NASA Astrophysics Data System (ADS)

    Gorodetskiy, Dmitriy V.; Gusel'nikov, Artem V.; Shevchenko, Sergey N.; Kanygin, Mikhail A.; Okotrub, Alexander V.; Pershin, Yuriy V.

    2016-01-01

    Some instances of electron field emitters are characterized by frequency-dependent hysteresis in their current-voltage characteristics. We argue that such emitters can be classified as memristive systems and introduce a general framework to describe their response. As a specific example of our approach, we consider field emission from a carbon nanotube array. Our experimental results demonstrate a low-field hysteresis, which is likely caused by an electrostatic alignment of some of the nanotubes in the applied field. We formulate a memristive model of such phenomena, whose results are in agreement with the experimental results.

  17. Evaluation of Black Carbon Estimations in Global Aerosol Models

    SciTech Connect

    Koch, D.; Schulz, M.; Kinne, Stefan; McNaughton, C. S.; Spackman, J. R.; Balkanski, Y.; Bauer, S.; Berntsen, T.; Bond, Tami C.; Boucher, Olivier; Chin, M.; Clarke, A. D.; De Luca, N.; Dentener, F.; Diehl, T.; Dubovik, O.; Easter, Richard C.; Fahey, D. W.; Feichter, J.; Fillmore, D.; Freitag, S.; Ghan, Steven J.; Ginoux, P.; Gong, S.; Horowitz, L.; Iversen, T.; Kirkevag, A.; Klimont, Z.; Kondo, Yutaka; Krol, M.; Liu, Xiaohong; Miller, R.; Montanaro, V.; Moteki, N.; Myhre, G.; Penner, J.; Perlwitz, Ja; Pitari, G.; Reddy, S.; Sahu, L.; Sakamoto, H.; Schuster, G.; Schwarz, J. P.; Seland, O.; Stier, P.; Takegawa, Nobuyuki; Takemura, T.; Textor, C.; van Aardenne, John; Zhao, Y.

    2009-11-27

    We evaluate black carbon (BC) model predictions from the AeroCom model intercomparison project by considering the diversity among year 2000 model simulations and comparing model predictions with available measurements. These model-measurement intercomparisons include BC surface and aircraft concentrations, aerosol absorption optical depth (AAOD) from AERONET and OMI retrievals and BC column estimations based on AERONET. In regions other than Asia, most models are biased high compared to surface concentration measurements. However compared with (column) AAOD or BC burden retreivals, the models are generally biased low. The average ratio of model to retrieved AAOD is less than 0.7 in South American and 0.6 in African biomass burning regions; both of these regions lack surface concentration measurements. In Asia the average model to observed ratio is 0.6 for AAOD and 0.5 for BC surface concentrations. Compared with aircraft measurements over the Americas at latitudes between 0 and 50N, the average model is a factor of 10 larger than observed, and most models exceed the measured BC standard deviation in the mid to upper troposphere. At higher latitudes the average model to aircraft BC is 0.6 and underestimate the observed BC loading in the lower and middle troposphere associated with springtime Arctic haze. Low model bias for AAOD but overestimation of surface and upper atmospheric BC concentrations at lower latitudes suggests that most models are underestimating BC absorption and should improve estimates for refractive index, particle size, and optical effects of BC coating. Retrieval uncertainties and/or differences with model diagnostic treatment may also contribute to the model-measurement disparity. Largest AeroCom model diversity occurred in northern Eurasia and the remote Arctic, regions influenced by anthropogenic sources. Changing emissions, aging, removal, or optical properties within a single model generated a smaller change in model predictions than the

  18. Statistical models for carbon-nitrogen film growth

    PubMed

    Aarao Reis FD; Franceschini

    2000-04-01

    We studied models of deposition and erosion, with two species of particles, that represent quantitatively many features of amorphous carbon-nitrogen film grown under plasma enhanced chemical vapor deposition. In the original model, the columns of the deposit are independent, and particles C and N are released with probabilities p and 1-p, respectively. An incident C particle always aggregates upon contact with the surface. An N particle annihilates with a top C particle with probability q and aggregates with probability 1-q. An N particle always annihilates with a top N. A critical line separates the regimes of growth (p>q/2) and erosion (pmodel in which any aggregation process is accepted with probability alpha, otherwise it is rejected. For q=0.25 and alpha=0.3, the rxx(N) curve agrees with data from films grown in methane-nitrogen and methane-ammonia atmospheres. The fitting values of q and alpha were inferred from related experiments. In order to test the influence of lattice structure and spatial correlations, we also studied those models in simple cubic lattices, considering that the aggregation must satisfy the restricted solid-on-solid model conditions for the difference of heights in neighboring columns, while the erosion is random. We obtained similar results for rxx(N) curves, confirming the validity of those models to represent the kinetics of amorphous films growth. It was also observed that the surface roughness increases with x(N), which agrees qualitatively with several experiments on carbon-nitrogen films growth with ion bombardment.

  19. Simulating carbon exchange using a regional atmospheric model coupled to an advanced land-surface model

    NASA Astrophysics Data System (ADS)

    Ter Maat, H. W.; Hutjes, R. W. A.

    2008-10-01

    A large scale mismatch exists between our understanding and quantification of ecosystem atmosphere exchange of carbon dioxide at local scale and continental scales. This paper will focus on the carbon exchange on the regional scale to address the following question: What are the main controlling factors determining atmospheric carbon dioxide content at a regional scale? We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also sub models for urban and marine fluxes, which in principle include the main controlling mechanisms and capture the relevant dynamics of the system. To validate the model, observations are used which were taken during an intensive observational campaign in the central Netherlands in summer 2002. These included flux-site observations, vertical profiles at tall towers and spatial fluxes of various variables taken by aircraft. The coupled regional model (RAMS-SWAPS-C) generally does a good job in simulating results close to reality. The validation of the model demonstrates that surface fluxes of heat, water and CO2 are reasonably well simulated. The comparison against aircraft data shows that the regional meteorology is captured by the model. Comparing spatially explicit simulated and observed fluxes we conclude that in general simulated latent heat fluxes are underestimated by the model to the observations which exhibit large standard deviation for all flights. Sensitivity experiments demonstrated the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same test also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.

  20. Environmental control of carbon allocation matters for modelling forest growth.

    PubMed

    Guillemot, Joannès; Francois, Christophe; Hmimina, Gabriel; Dufrêne, Eric; Martin-StPaul, Nicolas K; Soudani, Kamel; Marie, Guillaume; Ourcival, Jean-Marc; Delpierre, Nicolas

    2017-04-01

    We aimed to evaluate the importance of modulations of within-tree carbon (C) allocation by water and low-temperature stress for the prediction of annual forest growth with a process-based model. A new C allocation scheme was implemented in the CASTANEA model that accounts for lagged and direct environmental controls of C allocation. Different approaches (static vs dynamic) to modelling C allocation were then compared in a model-data fusion procedure, using satellite-derived leaf production estimates and biometric measurements at c. 10(4) sites. The modelling of the environmental control of C allocation significantly improved the ability of CASTANEA to predict the spatial and year-to-year variability of aboveground forest growth along regional gradients. A significant effect of the previous year's water stress on the C allocation to leaves and wood was reported. Our results also are consistent with a prominent role of the environmental modulation of sink demand in the wood growth of the studied species. Data available at large scales can inform forest models about the processes driving annual and seasonal C allocation. Our results call for a greater consideration of C allocation drivers, especially sink-demand fluctuations, for the simulations of current and future forest productivity with process-based models.

  1. Equivalent-Continuum Modeling With Application to Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

    2002-01-01

    A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

  2. Sedimentary model for Eocene exotic blocks of carbonates and turbiditic carbonate deposits in the South Sistan Basin, SE Iran

    NASA Astrophysics Data System (ADS)

    Mohammadi, Ali; Burg, Jean-Pierre; Bernoulli, Daniel

    2016-04-01

    The N-S-trending Sistan Suture Zone in east Iran results from collision of the Lut Block to the west with the Afghan Block to the east. Extensive Eocene turbiditic sequences with numerous exotic carbonate olistholiths and carbonate debris flows in the southern part of the Sistan Basin (so-called Neh Accretionary Wedge) were deposited in a deep-marine environment. Litho-biostratigraphy of the exotic carbonate blocks and carbonate debris flows with surrounding sandstones aims to develop a paleoenvironmental model for the South Sistan sedimentary basin. The olistholiths, of Early to Middle Eocene age, are derived from one or more carbonate platforms including inner shelf (protected platform), shelf margin (coral reefs, skeletal sand bars) and upper slope deposits. In addition, the terrigenous turbidites that form the background sediments of the basinal deposits are interlayered with carbonate mass-flow deposits, lime turbidites and scarcer pelagic limestones with planktonic foraminifera of Eocene age showing that the mass-flow events contemporaneous with platform evolution. The absence of terrigenous detritus and of volcanic material in the platform limestones and related mass-flow deposits suggests that the carbonate platform was presumably located on the Kuh-e-Birk passive margin, to the southwest of the Sistan Basin. Key words: South Sistan Basin, sedimentary model, Eocene, olistostrome, carbonate platform

  3. Modeling the grazing effect on dry grassland carbon cycling with modified Biome-BGC grazing model

    NASA Astrophysics Data System (ADS)

    Luo, Geping; Han, Qifei; Li, Chaofan; Yang, Liao

    2014-05-01

    Identifying the factors that determine the carbon source/sink strength of ecosystems is important for reducing uncertainty in the global carbon cycle. Arid grassland ecosystems are a widely distributed biome type in Xinjiang, Northwest China, covering approximately one-fourth the country's land surface. These grasslands are the habitat for many endemic and rare plant and animal species and are also used as pastoral land for livestock. Using the modified Biome-BGC grazing model, we modeled carbon dynamics in Xinjiang for grasslands that varied in grazing intensity. In general, this regional simulation estimated that the grassland ecosystems in Xinjiang acted as a net carbon source, with a value of 0.38 Pg C over the period 1979-2007. There were significant effects of grazing on carbon dynamics. An over-compensatory effect in net primary productivity (NPP) and vegetation carbon (C) stock was observed when grazing intensity was lower than 0.40 head/ha. Grazing resulted in a net carbon source of 23.45 g C m-2 yr-1, which equaled 0.37 Pg in Xinjiang in the last 29 years. In general, grazing decreased vegetation C stock, while an increasing trend was observed with low grazing intensity. The soil C increased significantly (17%) with long-term grazing, while the soil C stock exhibited a steady trend without grazing. These findings have implications for grassland ecosystem management as it relates to carbon sequestration and climate change mitigation, e.g., removal of grazing should be considered in strategies that aim to increase terrestrial carbon sequestrations at local and regional scales. One of the greatest limitations in quantifying the effects of herbivores on carbon cycling is identifying the grazing systems and intensities within a given region. We hope our study emphasizes the need for large-scale assessments of how grazing impacts carbon cycling. Most terrestrial ecosystems in Xinjiang have been affected by disturbances to a greater or lesser extent in the past

  4. Functionalization of carbon nanotubes: Characterization, modeling and composite applications

    NASA Astrophysics Data System (ADS)

    Wang, Shiren

    Carbon nanotubes have demonstrated exceptional mechanical, thermal and electrical properties, and are regarded as one of the most promising reinforcement materials for the next generation of high performance structural and multifunctional composites. However, to date, most application attempts have been hindered by several technical roadblocks, such as poor dispersion and weak interfacial bonding. In this dissertation, several innovative functionalization methods were proposed, studied to overcome these technical issues in order to realize the full potential of nanotubes as reinforcement. These functionalization methods included precision sectioning of nanotubes using an ultra-microtome, electron-beam irradiation, amino and epoxide group grafting. The characterization results of atomic force microscope, transmission electronic microscope and Raman suggested that aligned carbon nanotubes can be precisely sectioned with controlled length and minimum sidewall damage. This study also designed and demonstrated new covalent functionalization approaches through unique epoxy-grafting and one-step amino-grafting, which have potential of scale-up for composite applications. In addition, the dissertation also successfully tailored the structure and properties of the thin nanotube film through electron beam irradiation. Significant improvement of both mechanical and electrical conducting properties of the irradiated nanotube films or buckypapers was achieved. All these methods demonstrated effectiveness in improving dispersion and interfacial bonding in the epoxy resin, resulting in considerable improvements in composite mechanical properties. Modeling of functionalization methods also provided further understanding and offered the reasonable explanations of SWNTs length distribution as well as carbon nanostructure transformation upon electron-beam irradiation. Both experimental and modeling results provide important foundations for the further comprehensively investigation of

  5. CarboCAT: A cellular automata model of heterogeneous carbonate strata

    NASA Astrophysics Data System (ADS)

    Burgess, Peter M.

    2013-04-01

    CarboCAT is a new numerical model of carbonate deposystems that uses a cellular automata to calculate lithofacies spatial distributions and hence to calculate the accumulation of heterogeneous carbonate strata in three dimensions. CarboCAT includes various geological processes, including tectonic subsidence, eustatic sea-level oscillations, water depth-dependent carbonate production rates in multiple carbonate factories, lateral migration of carbonate lithofacies bodies, and a simple representation of sediment transport. Results from the model show stratigraphically interesting phenomena such as heterogeneous strata with complex stacking patterns, laterally discontinuous subaerial exposure surfaces, nonexponential lithofacies thickness distributions, and sensitive dependence on initial conditions whereby small changes in the model initial conditions have a large effect on the final model outcome. More work is required to fully assess CarboCAT, but these initial results suggest that a cellular automata approach to modeling carbonate strata is likely to be a useful tool for investigating the nature and origins of heterogeneity in carbonate strata.

  6. DOUBLE SHELL TANK (DST) HYDROXIDE DEPLETION MODEL FOR CARBON DIOXIDE ABSORPTION

    SciTech Connect

    OGDEN DM; KIRCH NW

    2007-10-31

    This document generates a supernatant hydroxide ion depletion model based on mechanistic principles. The carbon dioxide absorption mechanistic model is developed in this report. The report also benchmarks the model against historical tank supernatant hydroxide data and vapor space carbon dioxide data. A comparison of the newly generated mechanistic model with previously applied empirical hydroxide depletion equations is also performed.

  7. Investigating global brown carbon from both measurements and models

    NASA Astrophysics Data System (ADS)

    Wang, X.; Heald, C. L.

    2015-12-01

    Brown carbon (BrC) is the component of organic aerosols (OA) which strongly absorbs solar radiation in the near-UV range of the spectrum. BrC properties and the resulting radiative effects are highly uncertain, limiting our ability to estimate near-term and regional climate forcing. Since both the source and optical properties of BrC are not well understood, it is challenging to develop a reliable model frameworks for BrC. On the other hand, field and laboratory measurements of BrC are rare and provide limited constraints. BrC absorption exhibits strong spectral dependence, which differs from black carbon (BC), the other important fine aerosol absorber. Based on this property, we develop an innovative approach to derive BrC absorption from multi-wavelength absorption measurements. By analyzing the Aerosol Absorption Optical Depth (AAOD) data from global AERONET network, we find that the optical properties of BrC are connected to the BC/OA ratio, as suggested by recent work. In view of this finding, we develop and discuss a series of different methods to simulate BrC absorption in the GEOS-Chem global model and estimate an associated range for global BrC burden and direct radiative forcing (DRF).

  8. A general circulation model study of atmospheric carbon monoxide

    NASA Technical Reports Server (NTRS)

    Pinto, J. P.; Rind, D.; Russell, G. L.; Lerner, J. A.; Hansen, J. E.; Yung, Y. L.; Hameed, S.

    1983-01-01

    The carbon monoxide cycle is studied by incorporating the known and hypothetical sources and sinks in a tracer model that uses the winds generated by a general circulation model. Photochemical production and loss terms, which depend on OH radical concentrations, are calculated in an interactive fashion. The computed global distribution and seasonal variations of CO are compared with observations to obtain constraints on the distribution and magnitude of the sources and sinks of CO, and on the tropospheric abundance of OH. The simplest model that accounts for available observations requires a low latitude plant source of about 1.3 x 10 to the 15th g/yr, in addition to sources from incomplete combustion of fossil fuels and oxidation of methane. The globally averaged OH concentration calculated in the model is 750,000/cu cm. Models that calculate globally averaged OH concentrations much lower than this nominal value are not consistent with the observed variability of CO. Such models are also inconsistent with measurements of CO isotopic abundances, which imply the existence of plant sources.

  9. Deployment models for commercialized carbon capture and storage.

    PubMed

    Esposito, Richard A; Monroe, Larry S; Friedman, Julio S

    2011-01-01

    Even before technology matures and the regulatory framework for carbon capture and storage (CCS) has been developed, electrical utilities will need to consider the logistics of how widespread commercial-scale operations will be deployed. The framework of CCS will require utilities to adopt business models that ensure both safe and affordable CCS operations while maintaining reliable power generation. Physical models include an infrastructure with centralized CO(2) pipelines that focus geologic sequestration in pooled regional storage sites or supply CO(2) for beneficial use in enhanced oil recovery (EOR) and a dispersed plant model with sequestration operations which take place in close proximity to CO(2) capture. Several prototypical business models, including hybrids of these two poles, will be in play including a self-build option, a joint venture, and a pay at the gate model. In the self-build model operations are vertically integrated and utility owned and operated by an internal staff of engineers and geologists. A joint venture model stresses a partnership between the host site utility/owner's engineer and external operators and consultants. The pay to take model is turn-key external contracting to a third party owner/operator with cash positive fees paid out for sequestration and cash positive income for CO(2)-EOR. The selection of a business model for CCS will be based in part on the desire of utilities to be vertically integrated, source-sink economics, and demand for CO(2)-EOR. Another element in this decision will be how engaged a utility decides to be and the experience the utility has had with precommercial R&D activities. Through R&D, utilities would likely have already addressed or at least been exposed to the many technical, regulatory, and risk management issues related to successful CCS. This paper provides the framework for identifying the different physical and related prototypical business models that may play a role for electric utilities in

  10. Vertically-integrated Approaches for Carbon Sequestration Modeling

    NASA Astrophysics Data System (ADS)

    Bandilla, K.; Celia, M. A.; Guo, B.

    2015-12-01

    Carbon capture and sequestration (CCS) is being considered as an approach to mitigate anthropogenic CO2 emissions from large stationary sources such as coal fired power plants and natural gas processing plants. Computer modeling is an essential tool for site design and operational planning as it allows prediction of the pressure response as well as the migration of both CO2 and brine in the subsurface. Many processes, such as buoyancy, hysteresis, geomechanics and geochemistry, can have important impacts on the system. While all of the processes can be taken into account simultaneously, the resulting models are computationally very expensive and require large numbers of parameters which are often uncertain or unknown. In many cases of practical interest, the computational and data requirements can be reduced by choosing a smaller domain and/or by neglecting or simplifying certain processes. This leads to a series of models with different complexity, ranging from coupled multi-physics, multi-phase three-dimensional models to semi-analytical single-phase models. Under certain conditions the three-dimensional equations can be integrated in the vertical direction, leading to a suite of two-dimensional multi-phase models, termed vertically-integrated models. These models are either solved numerically or simplified further (e.g., assumption of vertical equilibrium) to allow analytical or semi-analytical solutions. This presentation focuses on how different vertically-integrated models have been applied to the simulation of CO2 and brine migration during CCS projects. Several example sites, such as the Illinois Basin and the Wabamun Lake region of the Alberta Basin, are discussed to show how vertically-integrated models can be used to gain understanding of CCS operations.

  11. The Soil Carbon Paradigm Shift: Triangulating Theories, Measurements, and Models

    NASA Astrophysics Data System (ADS)

    Blankinship, J. C.; Crow, S. E.; Schimel, J.; Sierra, C. A.; Schaedel, C.; Plante, A. F.; Thompson, A.; Berhe, A. A.; Druhan, J. L.; Heckman, K. A.; Keiluweit, M.; Lawrence, C. R.; Marin-Spiotta, E.; Rasmussen, C.; Wagai, R.; Wieder, W. R.

    2016-12-01

    Predicting global responses of soil carbon (C) to environmental change remains confounded by a number of paradigms that have emerged from separate approaches. A prevailing paradigm in biogeochemistry interprets soil C as discrete pools based on estimated or measured turnover times (e.g., CENTURY model). An alternative is emerging that envisions the stabilization of soil C in tension between decomposition by microbial agents and protection by physical and chemical mechanisms. We propose an approach to bridge the gap between different paradigms, and to improve soil C forecasting by conceptualizing each paradigm as a triangle composed of three nodes: theory, analytical measurement, and numerical model. Paradigms tend to emerge from what can either be represented in models or measured using analytical instruments. But they gain power when all three elements are integrated in a balanced trinity. Our goal was to compare how theory, measurement, and model fit together in our understanding of soil C to learn from past successes, evaluate the strengths and weaknesses of current paradigms, and guide development of new understanding. We used a case-study approach to analyze each corner of the paradigm-triangle: i) paradigms that have strong theory but are constrained by weak linkages with measurements or models, ii) paradigms with robust models that have weak linkages with theory or measurements, and iii) paradigms with many measurements but little theoretical support or ability to be parameterized in numerical models. We conclude that established models like CENTURY dominate because theory and measurements that underlie the model form strong linkages that previously created a balanced triangle. Evolving paradigms based on physical protection and microbial agency are still struggling to gain traction because the theory is challenging to represent in models. The explicit examination of the strengths of emerging paradigms can, therefore, help refine and accelerate our ability

  12. Responses of two nonlinear microbial models to warming and increased carbon input

    SciTech Connect

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, Benito; Agusto, Fola B.; Hastings, Alan; Hoffman, Forrest M.; Rasmussen, Martin; Smith, Matthew J.; Todd-Brown, Katherine E.; Wang, Y.; Xu, X.; Luo, Y. Q.

    2016-02-18

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. In this paper, we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis–Menten kinetics (model A) and the other on regular Michaelis–Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in their initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. Lastly, these insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.

  13. Responses of two nonlinear microbial models to warming and increased carbon input

    DOE PAGES

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, Benito; ...

    2016-02-18

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. In this paper, we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis–Menten kinetics (model A) and the other on regular Michaelis–Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in theirmore » initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. Lastly, these insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.« less

  14. Responses of two nonlinear microbial models to warming and increased carbon input

    NASA Astrophysics Data System (ADS)

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, B.; Agusto, F. B.; Hastings, A.; Hoffman, F.; Rasmussen, M.; Smith, M. J.; Todd-Brown, K.; Wang, Y.; Xu, X.; Luo, Y. Q.

    2016-02-01

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. Here we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis-Menten kinetics (model A) and the other on regular Michaelis-Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in their initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. These insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.

  15. Carbon dioxide stripping in aquaculture -- part III: model verification

    USGS Publications Warehouse

    Colt, John; Watten, Barnaby; Pfeiffer, Tim

    2012-01-01

    Based on conventional mass transfer models developed for oxygen, the use of the non-linear ASCE method, 2-point method, and one parameter linear-regression method were evaluated for carbon dioxide stripping data. For values of KLaCO2 < approximately 1.5/h, the 2-point or ASCE method are a good fit to experimental data, but the fit breaks down at higher values of KLaCO2. How to correct KLaCO2 for gas phase enrichment remains to be determined. The one-parameter linear regression model was used to vary the C*CO2 over the test, but it did not result in a better fit to the experimental data when compared to the ASCE or fixed C*CO2 assumptions.

  16. Large uncertainty in soil carbon modelling related to carbon input calculation method

    NASA Astrophysics Data System (ADS)

    Keel, Sonja G.; Leifeld, Jens; Taghizadeh-Toosi, Arezoo; Oleson, Jørgen E.

    2016-04-01

    A model-based inventory for carbon (C) sinks and sources in agricultural soils is being established for Switzerland. As part of this project, five frequently used allometric equations that estimate soil C inputs based on measured yields are compared. To evaluate the different methods, we calculate soil C inputs for a long-term field trial in Switzerland. This DOK experiment (bio-Dynamic, bio-Organic, and conventional (German: Konventionell)) compares five different management systems, that are applied to identical crop rotations. Average calculated soil C inputs vary largely between allometric equations and range from 1.6 t C ha-1 yr-1 to 2.6 t C ha-1 yr-1. Among the most important crops in Switzerland, the uncertainty is largest for barley (difference between highest and lowest estimate: 3.0 t C ha-1 yr-1). For the unfertilized control treatment, the estimated soil C inputs vary less between allometric equations than for the treatment that received mineral fertilizer and farmyard manure. Most likely, this is due to the higher yields in the latter treatment, i.e. the difference between methods might be amplified because yields differ more. To evaluate the influence of these allometric equations on soil C dynamics we simulate the DOK trial for the years 1977-2004 using the model C-TOOL (Taghizadeh-Toosi et al. 2014) and the five different soil C input calculation methods. Across all treatments, C-TOOL simulates a decrease in soil C in line with the experimental data. This decline, however, varies between allometric equations (-2.4 t C ha-1 to -6.3 t C ha-1 for the years 1977-2004) and has the same order of magnitude as the difference between treatments. In summary, the method to estimate soil C inputs is identified as a significant source of uncertainty in soil C modelling. Choosing an appropriate allometric equation to derive the input data is thus a critical step when setting up a model-based national soil C inventory. References Taghizadeh-Toosi A et al. (2014) C

  17. Spin-Up and Tuning of the Global Carbon Cycle Model Inside the GISS ModelE2 GCM

    NASA Technical Reports Server (NTRS)

    Aleinov, Igor; Kiang, Nancy Y.; Romanou, Anastasia

    2015-01-01

    Planetary carbon cycle involves multiple phenomena, acting at variety of temporal and spacial scales. The typical times range from minutes for leaf stomata physiology to centuries for passive soil carbon pools and deep ocean layers. So, finding a satisfactory equilibrium state becomes a challenging and computationally expensive task. Here we present the spin-up processes for different configurations of the GISS Carbon Cycle model from the model forced with MODIS observed Leaf Area Index (LAI) and prescribed ocean to the prognostic LAI and to the model fully coupled to the dynamic ocean and ocean biology. We investigate the time it takes the model to reach the equilibrium and discuss the ways to speed up this process. NASA Goddard Institute for Space Studies General Circulation Model (GISS ModelE2) is currently equipped with all major algorithms necessary for the simulation of the Global Carbon Cycle. The terrestrial part is presented by Ent Terrestrial Biosphere Model (Ent TBM), which includes leaf biophysics, prognostic phenology and soil biogeochemistry module (based on Carnegie-Ames-Stanford model). The ocean part is based on the NASA Ocean Biogeochemistry Model (NOBM). The transport of atmospheric CO2 is performed by the atmospheric part of ModelE2, which employs quadratic upstream algorithm for this purpose.

  18. Integrated Experimental and Modeling Studies of Mineral Carbonation as a Mechanism for Permanent Carbon Sequestration in Mafic/Ultramafic Rocks

    SciTech Connect

    Wang, Zhengrong; Qiu, Lin; Zhang, Shuang; Bolton, Edward; Bercovici, David; Ague, Jay; Karato, Shun-Ichiro; Oristaglio, Michael; Zhu, Wen-Iu; Lisabeth, Harry; Johnson, Kevin

    2014-09-30

    A program of laboratory experiments, modeling and fieldwork was carried out at Yale University, University of Maryland, and University of Hawai‘i, under a DOE Award (DE-FE0004375) to study mineral carbonation as a practical method of geologic carbon sequestration. Mineral carbonation, also called carbon mineralization, is the conversion of (fluid) carbon dioxide into (solid) carbonate minerals in rocks, by way of naturally occurring chemical reactions. Mafic and ultramafic rocks, such as volcanic basalt, are natural candidates for carbonation, because the magnesium and iron silicate minerals in these rocks react with brines of dissolved carbon dioxide to form carbonate minerals. By trapping carbon dioxide (CO2) underground as a constituent of solid rock, carbonation of natural basalt formations would be a secure method of sequestering CO2 captured at power plants in efforts to mitigate climate change. Geochemical laboratory experiments at Yale, carried out in a batch reactor at 200°C and 150 bar (15 MPa), studied carbonation of the olivine mineral forsterite (Mg2SiO4) reacting with CO2 brines in the form of sodium bicarbonate (NaHCO3) solutions. The main carbonation product in these reactions is the carbonate mineral magnesite (MgCO3). A series of 32 runs varied the reaction time, the reactive surface area of olivine grains and powders, the concentration of the reacting fluid, and the starting ratio of fluid to olivine mass. These experiments were the first to study the rate of olivine carbonation under passive conditions approaching equilibrium. The results show that, in a simple batch reaction, olivine carbonation is fastest during the first 24 hours and then slows significantly and even reverses. A natural measure of the extent of carbonation is a quantity called the carbonation fraction, which compares the amount of carbon removed from solution, during a run, to the maximum amount

  19. From monitoring to modeling: using biomass observation for benchmarking terrestrial carbon cycle models

    NASA Astrophysics Data System (ADS)

    Poulter, B.; Ciais, P.; Chevallier, F.; Delbart, N.; Lafont, S.; Maignan, F.; Saatchi, S.; Sitch, S.

    2012-04-01

    Biomass is a key ecosystem property linking biogeochemical fluxes with the accumulation of carbon in terrestrial ecosystems. The spatial and temporal distribution of aboveground biomass has implications for climate stability and other ecosystem services, including timber supplies. Globally, terrestrial forest ecosystems store ~380 Pg C in aboveground biomass, which is about 45% compared to the amount of carbon in the atmosphere as CO2. Model-data comparisons of aboveground biomass have so far been limited because of a lack of wall-to-wall coverage of observations, which has recently been resolved from satellite remote sensing and an intensification of forest inventory networks. Here, we compare aboveground biomass estimates among an ensemble of terrestrial carbon cycle models, and benchmark these estimates with inventory and satellite-based estimates. We then use the distribution of biomass estimates to evaluate bias in net ecosystem exchange caused by uncertainty from carbon turnover rates. By identifying model structure and the parameters linked to carbon turnover, improvements can be made to more realistically simulate aboveground biomass.

  20. Modelling carbon and nitrogen turnover in variably saturated soils

    NASA Astrophysics Data System (ADS)

    Batlle-Aguilar, J.; Brovelli, A.; Porporato, A.; Barry, D. A.

    2009-04-01

    Natural ecosystems provide services such as ameliorating the impacts of deleterious human activities on both surface and groundwater. For example, several studies have shown that a healthy riparian ecosystem can reduce the nutrient loading of agricultural wastewater, thus protecting the receiving surface water body. As a result, in order to develop better protection strategies and/or restore natural conditions, there is a growing interest in understanding ecosystem functioning, including feedbacks and nonlinearities. Biogeochemical transformations in soils are heavily influenced by microbial decomposition of soil organic matter. Carbon and nutrient cycles are in turn strongly sensitive to environmental conditions, and primarily to soil moisture and temperature. These two physical variables affect the reaction rates of almost all soil biogeochemical transformations, including microbial and fungal activity, nutrient uptake and release from plants, etc. Soil water saturation and temperature are not constants, but vary both in space and time, thus further complicating the picture. In order to interpret field experiments and elucidate the different mechanisms taking place, numerical tools are beneficial. In this work we developed a 3D numerical reactive-transport model as an aid in the investigation the complex physical, chemical and biological interactions occurring in soils. The new code couples the USGS models (MODFLOW 2000-VSF, MT3DMS and PHREEQC) using an operator-splitting algorithm, and is a further development an existing reactive/density-dependent flow model PHWAT. The model was tested using simplified test cases. Following verification, a process-based biogeochemical reaction network describing the turnover of carbon and nitrogen in soils was implemented. Using this tool, we investigated the coupled effect of moisture content and temperature fluctuations on nitrogen and organic matter cycling in the riparian zone, in order to help understand the relative

  1. Kinetic modelling of molecular hydrogen transport in microporous carbon materials.

    PubMed

    Hankel, Marlies; Zhang, Hong; Nguyen, Thanh X; Bhatia, Suresh K; Gray, Stephen K; Smith, Sean C

    2011-05-07

    The proposal of kinetic molecular sieving of hydrogen isotopes is explored by employing statistical rate theory methods to describe the kinetics of molecular hydrogen transport in model microporous carbon structures. A Lennard-Jones atom-atom interaction potential is utilized for the description of the interactions between H(2)/D(2) and the carbon framework, while the requisite partition functions describing the thermal flux of molecules through the transition state are calculated quantum mechanically in view of the low temperatures involved in the proposed kinetic molecular sieving application. Predicted kinetic isotope effects for initial passage from the gas phase into the first pore mouth are consistent with expectations from previous modeling studies, namely, that at sufficiently low temperatures and for sufficiently narrow pore mouths D(2) transport is dramatically favored over H(2). However, in contrast to expectations from previous modeling, the absence of any potential barrier along the minimum energy pathway from the gas phase into the first pore mouth yields a negative temperature dependence in the predicted absolute rate coefficients-implying a negative activation energy. In pursuit of the effective activation barrier, we find that the minimum potential in the cavity is significantly higher than in the pore mouth for nanotube-shaped models, throwing into question the common assumption that passage through the pore mouths should be the rate-determining step. Our results suggest a new mechanism that, depending on the size and shape of the cavity, the thermal activation barrier may lie in the cavity rather than at the pore mouth. As a consequence, design strategies for achieving quantum-mediated kinetic molecular sieving of H(2)/D(2) in a microporous membrane will need, at the very least, to take careful account of cavity shape and size in addition to pore-mouth size in order to ensure that the selective step, namely passage through the pore mouth, is also

  2. Kinetic modelling of molecular hydrogen transport in microporous carbon materials.

    SciTech Connect

    Hankel, M.; Zhang, H.; Nguyen, T. X.; Bhatia, S. K.; Gray, S. K.; Smith, S. C.

    2011-01-01

    The proposal of kinetic molecular sieving of hydrogen isotopes is explored by employing statistical rate theory methods to describe the kinetics of molecular hydrogen transport in model microporous carbon structures. A Lennard-Jones atom-atom interaction potential is utilized for the description of the interactions between H{sub 2}/D{sub 2} and the carbon framework, while the requisite partition functions describing the thermal flux of molecules through the transition state are calculated quantum mechanically in view of the low temperatures involved in the proposed kinetic molecular sieving application. Predicted kinetic isotope effects for initial passage from the gas phase into the first pore mouth are consistent with expectations from previous modeling studies, namely, that at sufficiently low temperatures and for sufficiently narrow pore mouths D{sub 2} transport is dramatically favored over H{sub 2}. However, in contrast to expectations from previous modeling, the absence of any potential barrier along the minimum energy pathway from the gas phase into the first pore mouth yields a negative temperature dependence in the predicted absolute rate coefficients - implying a negative activation energy. In pursuit of the effective activation barrier, we find that the minimum potential in the cavity is significantly higher than in the pore mouth for nanotube-shaped models, throwing into question the common assumption that passage through the pore mouths should be the rate-determining step. Our results suggest a new mechanism that, depending on the size and shape of the cavity, the thermal activation barrier may lie in the cavity rather than at the pore mouth. As a consequence, design strategies for achieving quantum-mediated kinetic molecular sieving of H{sub 2}/D{sub 2} in a microporous membrane will need, at the very least, to take careful account of cavity shape and size in addition to pore-mouth size in order to ensure that the selective step, namely passage

  3. SUB-CHANDRASEKHAR MASS MODELS FOR SUPERNOVAE

    SciTech Connect

    Woosley, S. E.; Kasen, Daniel

    2011-06-10

    For carbon-oxygen white dwarfs accreting hydrogen or helium at rates in the range {approx}(1-10) x 10{sup -8} M{sub sun} yr{sup -1}, a variety of explosive outcomes is possible well before the star reaches the Chandrasekhar mass. These outcomes are surveyed for a range of white dwarf masses (0.7-1.1 M{sub sun}), accretion rates ((1-7) x 10{sup -8} M{sub sun} yr{sup -1}), and initial white dwarf temperatures (0.01 and 1 L{sub sun}). The results are particularly sensitive to the convection that goes on during the last few minutes before the explosion. Unless this convection maintains a shallow temperature gradient and unless the density is sufficiently high, the accreted helium does not detonate. Below a critical helium ignition density, which we estimate to be (5-10) x 10{sup 5} g cm{sup -3}, either helium novae or helium deflagrations result. The hydrodynamics, nucleosynthesis, light curves, and spectra of a representative sample of detonating and deflagrating models are explored. Some can be quite faint indeed, powered at peak for a few days by the decay of {sup 48}Cr and {sup 48}V. Only the hottest, most massive white dwarfs considered with the smallest helium layers, show reasonable agreement with the light curves and spectra of common Type Ia supernovae (SNe Ia). For the other models, especially those involving lighter white dwarfs, the helium shell mass exceeds 0.05 M{sub sun} and the mass of the {sup 56}Ni that is synthesized exceeds 0.01 M{sub sun}. These explosions do not look like ordinary SNe Ia or any other frequently observed transient.

  4. Modelling and mapping the topsoil organic carbon content for Tanzania

    NASA Astrophysics Data System (ADS)

    Kempen, Bas; Kaaya, Abel; Ngonyani Mhaiki, Consolatha; Kiluvia, Shani; Ruiperez-Gonzalez, Maria; Batjes, Niels; Dalsgaard, Soren

    2014-05-01

    Soil organic carbon (SOC), held in soil organic matter, is a key indicator of soil health and plays an important role in the global carbon cycle. The soil can act as a net source or sink of carbon depending on land use and management. Deforestation and forest degradation lead to the release of vast amounts of carbon from the soil in the form of greenhouse gasses, especially in tropical countries. Tanzania has a high deforestation rate: it is estimated that the country loses 1.1% of its total forested area annually. During 2010-2013 Tanzania has been a pilot country under the UN-REDD programme. This programme has supported Tanzania in its initial efforts towards reducing greenhouse gas emission from forest degradation and deforestation and towards preserving soil carbon stocks. Formulation and implementation of the national REDD strategy requires detailed information on the five carbon pools among these the SOC pool. The spatial distribution of SOC contents and stocks was not available for Tanzania. The initial aim of this research, was therefore to develop high-resolution maps of the SOC content for the country. The mapping exercise was carried out in a collaborative effort with four Tanzanian institutes and data from the Africa Soil Information Service initiative (AfSIS). The mapping exercise was provided with over 3200 field observations on SOC from four sources; this is the most comprehensive soil dataset collected in Tanzania so far. The main source of soil samples was the National Forest Monitoring and Assessment (NAFORMA). The carbon maps were generated by means of digital soil mapping using regression-kriging. Maps at 250 m spatial resolution were developed for four depth layers: 0-10 cm, 10-20 cm, 20-30 cm, and 0-30 cm. A total of 37 environmental GIS data layers were prepared for use as covariates in the regression model. These included vegetation indices, terrain parameters, surface temperature, spectral reflectances, a land cover map and a small

  5. Prediction Model for the Carbonation of Post-Repair Materials in Carbonated RC Structures.

    PubMed

    Lee, Hyung-Min; Lee, Han-Seung; Singh, Jitendra Kumar

    2017-05-03

    Concrete carbonation damages the passive film that surrounds reinforcement bars, resulting in their exposure to corrosion. Studies on the prediction of concrete carbonation are thus of great significance. The repair of pre-built reinforced concrete (RC) structures by methods such as remodeling was recently introduced. While many studies have been conducted on the progress of carbonation in newly constructed buildings and RC structures fitted with new repair materials, the prediction of post-repair carbonation has not been considered. In the present study, accelerated carbonation was carried out to investigate RC structures following surface layer repair, in order to determine the carbonation depth. To validate the obtained results, a second experiment was performed under the same conditions to determine the carbonation depth by the Finite Difference Method (FDM) and Finite Element Method (FEM). For the accelerated carbonation experiment, FDM and FEM analyses, produced very similar results, thus confirming that the carbonation depth in an RC structure after surface layer repair can be predicted with accuracy. The specimen repaired using inhibiting surface coating (ISC) had the highest carbonation penetration of 19.81, while this value was the lowest for the corrosion inhibiting mortar (IM) with 13.39 mm. In addition, the carbonation depth predicted by using the carbonation prediction formula after repair indicated that that the analytical and experimental values are almost identical if the initial concentration of Ca(OH)₂ is assumed to be 52%.

  6. Prediction Model for the Carbonation of Post-Repair Materials in Carbonated RC Structures

    PubMed Central

    Lee, Hyung-Min; Lee, Han-Seung; Singh, Jitendra Kumar

    2017-01-01

    Concrete carbonation damages the passive film that surrounds reinforcement bars, resulting in their exposure to corrosion. Studies on the prediction of concrete carbonation are thus of great significance. The repair of pre-built reinforced concrete (RC) structures by methods such as remodeling was recently introduced. While many studies have been conducted on the progress of carbonation in newly constructed buildings and RC structures fitted with new repair materials, the prediction of post-repair carbonation has not been considered. In the present study, accelerated carbonation was carried out to investigate RC structures following surface layer repair, in order to determine the carbonation depth. To validate the obtained results, a second experiment was performed under the same conditions to determine the carbonation depth by the Finite Difference Method (FDM) and Finite Element Method (FEM). For the accelerated carbonation experiment, FDM and FEM analyses, produced very similar results, thus confirming that the carbonation depth in an RC structure after surface layer repair can be predicted with accuracy. The specimen repaired using inhibiting surface coating (ISC) had the highest carbonation penetration of 19.81, while this value was the lowest for the corrosion inhibiting mortar (IM) with 13.39 mm. In addition, the carbonation depth predicted by using the carbonation prediction formula after repair indicated that that the analytical and experimental values are almost identical if the initial concentration of Ca(OH)2 is assumed to be 52%. PMID:28772852

  7. Addressing sources of uncertainty in a global terrestrial carbon model

    NASA Astrophysics Data System (ADS)

    Exbrayat, J.; Pitman, A. J.; Zhang, Q.; Abramowitz, G.; Wang, Y.

    2013-12-01

    Several sources of uncertainty exist in the parameterization of the land carbon cycle in current Earth System Models (ESMs). For example, recently implemented interactions between the carbon (C), nitrogen (N) and phosphorus (P) cycles lead to diverse changes in land-atmosphere C fluxes simulated by different models. Further, although soil organic matter decomposition is commonly parameterized as a first-order decay process, the formulation of the microbial response to changes in soil moisture and soil temperature varies tremendously between models. Here, we examine the sensitivity of historical land-atmosphere C fluxes simulated by an ESM to these two major sources of uncertainty. We implement three soil moisture (SMRF) and three soil temperature (STRF) respiration functions in the CABLE-CASA-CNP land biogeochemical component of the coarse resolution CSIRO Mk3L climate model. Simulations are undertaken using three degrees of biogeochemical nutrient limitation: C-only, C and N, and C and N and P. We first bring all 27 possible combinations of a SMRF with a STRF and a biogeochemical mode to a steady-state in their biogeochemical pools. Then, transient historical (1850-2005) simulations are driven by prescribed atmospheric CO2 concentrations used in the fifth phase of the Coupled Model Intercomparison Project (CMIP5). Similarly to some previously published results, representing N and P limitation on primary production reduces the global land carbon sink while some regions become net C sources over the historical period (1850-2005). However, the uncertainty due to the SMRFs and STRFs does not decrease relative to the inter-annual variability in net uptake when N and P limitations are added. Differences in the SMRFs and STRFs and their effect on the soil C balance can also change the sign of some regional sinks. We show that this response is mostly driven by the pool size achieved at the end of the spin-up procedure. Further, there exists a six-fold range in the level

  8. Developing an Enzyme Mediated Soil Organic Carbon Decomposition Model

    NASA Astrophysics Data System (ADS)

    Mayes, M. A.; Post, W. M.; Wang, G.; Jagadamma, S.; Steinweg, J. M.; Schadt, C. W.

    2012-12-01

    We developed the Microbial-ENzyme-mediated Decomposition (MEND) model in order to mechanistically model the decomposition of soil organic carbon (C). This presentation is an overview of the concept and development of the model and of the design of complementary lab-scale experiments. The model divides soil C into five pools of particulate, mineral-associated, dissolved, microbial, and enzyme organic C (Wang et al. 2012). There are three input types - cellulose, lignin, and dissolved C. Decomposition is mediated via microbial extracellular enzymes using the Michaelis-Menten equation, resulting in the production of a common pool of dissolved organic C. Parameters for the Michaelis-Menten equation are obtained through a literature review (Wang and Post, 2012a). The dissolved C is taken up by microbial biomass and proportioned according to microbial maintenance and growth, which were recalculated according to Wang and Post (2012b). The model allows dissolved C to undergo adsorption and desorption reactions with the mineral-associated C, which was also parameterized based upon a literature review and complementary laboratory experiments. In the lab, four 14C-labeled substrates (cellulose, fatty acid, glucose, and lignin-like) were incubated with either the particulate C pool, the mineral-associated C pool, or to bulk soils. The rate of decomposition was measured via the production of 14CO2 over time, along with incorporation into microbial biomass, production of dissolved C, and estimation of sorbed C. We performed steady-state and dynamic simulations and sensitivity analyses under temperature increases of 1-5°C for a period of 100 y. Simulations indicated an initial decrease in soil organic C consisting of both cellulose and lignin pools. Over longer time intervals (> 6 y), however, a shrinking microbial population, a concomitant decrease in enzyme production, and a decrease in microbial carbon use efficiency together decreased CO2 production and resulted in greater

  9. The mathematical model for synthesis process management of the carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Chistyakova, T. B.; Petrov, D. N.

    2017-01-01

    In this article, key difficulties of management process for carbon nanostructure synthesis are described. Tasks of optimum control of the carbon nanostructure synthesis process and management in case of emergency situations are formulated. The mathematical model of carbon nanostructure synthesis is offered. The equations for calculation of quantitative, qualitative indexes, indicators of safety and operability of engineering procedure are provided. The necessity of mathematical model use for carbon nanostructure synthesis is caused by improvement of the quality, the quantity, a decrease in the cost value of carbon nanostructures and an increase in safety of the engineering procedure of their obtaining. Testing and approbation of the mathematical model for carbon nanostructure synthesis are executed on a fullerene industrial production line. Suitability of the mathematical model of carbon nanostructure synthesis for production control in the mode of optimum control and management in case of emergency situations is confirmed. The obtained solution is recommended for implementation on the enterprises of a similar purpose.

  10. Carbon-nitrogen interactions regulate climate-carbon cycle feedbacks: results from an atmosphere-ocean general circulation model

    SciTech Connect

    Thornton, Peter E; Doney, Scott C.; Lindsay, Keith; Moore, Jefferson Keith; Mahowald, Natalie; Randerson, James T; Fung, Inez; Lamarque, Jean-Francois H; Feddema, Johan J.

    2009-01-01

    Inclusion of fundamental ecological interactions between carbon and nitrogen cycles in the land component of an atmosphere-ocean general circulation model (AOGCM) leads to decreased carbon uptake associated with CO{sub 2} fertilization, and increased carbon uptake associated with warming of the climate system. The balance of these two opposing effects is to reduce the fraction of anthropogenic CO{sub 2} predicted to be sequestered in land ecosystems. The primary mechanism responsible for increased land carbon storage under radiatively forced climate change is shown to be fertilization of plant growth by increased mineralization of nitrogen directly associated with increased decomposition of soil organic matter under a warming climate, which in this particular model results in a negative gain for the climate-carbon feedback. Estimates for the land and ocean sink fractions of recent anthropogenic emissions are individually within the range of observational estimates, but the combined land plus ocean sink fractions produce an airborne fraction which is too high compared to observations. This bias is likely due in part to an underestimation of the ocean sink fraction. Our results show a significant growth in the airborne fraction of anthropogenic CO{sub 2} emissions over the coming century, attributable in part to a steady decline in the ocean sink fraction. Comparison to experimental studies on the fate of radio-labeled nitrogen tracers in temperate forests indicates that the model representation of competition between plants and microbes for new mineral nitrogen resources is reasonable. Our results suggest a weaker dependence of net land carbon flux on soil moisture changes in tropical regions, and a stronger positive growth response to warming in those regions, than predicted by a similar AOGCM implemented without land carbon-nitrogen interactions. We expect that the between-model uncertainty in predictions of future atmospheric CO{sub 2} concentration and

  11. Spin-up and Tuning of the Global Carbon Cycle Model Inside the GISS ModelE2 GCM

    NASA Astrophysics Data System (ADS)

    Aleinov, I. D.; Kiang, N. Y.; Romanou, A.

    2015-12-01

    Planetary carbon cycle involves multiple phenomena, acting at varietyof temporal and spacial scales. The typical times range from minutesfor leaf stomata physiology to centuries for passive soil carbon poolsand deep ocean layers. So, finding a satisfactory equilibrium statebecomes a challenging and computationally expensive task. Here wepresent the spin-up processes for different configurations of theGISS Carbon Cycle model from the model forced with MODIS observed LeafArea Index (LAI) and prescribed ocean to the prognostic LAI and to themodel fully coupled to the dynamic ocean and ocean biology. Weinvestigate the time it takes the model to reach the equilibrium anddiscuss the ways to speed up this process. NASA Goddard Institute for Space Studies General Circulation Model(GISS ModelE2) is currently equipped with all major algorithms necessary forthe simulation of the Global Carbon Cycle. The terrestrial part ispresented by Ent Terrestrial Biosphere Model (Ent TBM), which includesleaf biophysics, prognostic phenology and soil biogeochemistry module(based on Carnegie-Ames-Stanford model). The ocean part is based onthe NASA Ocean Biogeochemistry Model (NOBM). The transport ofatmospheric CO2 is performed by the atmospheric part of ModelE2, whichemploys quadratic upstream algorithm for this purpose.

  12. Integrated Assessment Modeling for Carbon Storage Risk and Uncertainty Quantification

    NASA Astrophysics Data System (ADS)

    Bromhal, G. S.; Dilmore, R.; Pawar, R.; Stauffer, P. H.; Gastelum, J.; Oldenburg, C. M.; Zhang, Y.; Chu, S.

    2013-12-01

    The National Risk Assessment Partnership (NRAP) has developed tools to perform quantitative risk assessment at site-specific locations for long-term carbon storage. The approach that is being used is to divide the storage and containment system into components (e.g., reservoirs, seals, wells, groundwater aquifers), to develop detailed models for each component, to generate reduced order models (ROMs) based on the detailed models, and to reconnect the reduced order models within an integrated assessment model (IAM). CO2-PENS, developed at Los Alamos National Lab, is being used as the IAM for the simulations in this study. The benefit of this approach is that simulations of the complete system can be generated on a relatively rapid time scale so that Monte Carlo simulation can be performed. In this study, hundreds of thousands of runs of the IAMs have been generated to estimate likelihoods of the quantity of CO2 released to the atmosphere, size of aquifer impacted by pH, size of aquifer impacted by TDS, and size of aquifer with different metals concentrations. Correlations of the output variables with different reservoir, seal, wellbore, and aquifer parameters have been generated. Importance measures have been identified, and inputs have been ranked in the order of their impact on the output quantities. Presentation will describe the approach used, representative results, and implications for how the Monte Carlo analysis is implemented on uncertainty quantification.

  13. Are soil carbon models transferable across distinct regions or scales in Florida?

    USDA-ARS?s Scientific Manuscript database

    Some Florida soils have great capacity to accumulate carbon due to unique geographical and topographical conditions (high net primary productivity, precipitation, high water table, and flat topography). Soil carbon models have been used to quantify the carbon pools usually at a specific scale or in ...

  14. FORCARB2: An updated version of the U.S. Forest Carbon Budget Model

    Treesearch

    Linda S. Heath; Michael C. Nichols; James E. Smith; John R. Mills

    2010-01-01

    FORCARB2, an updated version of the U.S. FORest CARBon Budget Model (FORCARB), produces estimates of carbon stocks and stock changes for forest ecosystems and forest products at 5-year intervals. FORCARB2 includes a new methodology for carbon in harvested wood products, updated initial inventory data, a revised algorithm for dead wood, and now includes public forest...

  15. Modeling the Impact of Carbon Dioxide Leakage into an Unconfined, Oxidizing Carbonate Aquifer

    SciTech Connect

    Bacon, Diana H.; Qafoku, Nikolla; Dai, Zhenxue; Keating, Elizabeth; Brown, Christopher F.

    2016-01-01

    Multiphase, reactive transport modeling was used to identify the mechanisms controlling trace metal release under elevated CO2 conditions from a well-characterized carbonate aquifer. Modeling was conducted for two experimental scenarios: batch experiments to simulate sudden, fast, and short-lived release of CO2 as would occur in the case of well failure during injection, and column experiments to simulate more gradual leaks such as those occurring along undetected faults, fractures, or well linings. Observed and predicted trace metal concentrations are compared to groundwater concentrations from this aquifer to determine the potential for leaking CO2 to adversely impact drinking water quality. Finally, a three-dimensional multiphase flow and reactive-transport simulation of CO2 leakage from an abandoned wellbore into a generalized model of the shallow, unconfined portion of the aquifer is used to determine potential impacts on groundwater quality. As a measure of adverse impacts on groundwater quality, both the EPA’s MCL limits and the maximum trace metal concentration observed in the aquifer were used as threshold values.

  16. Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

    NASA Astrophysics Data System (ADS)

    Fasanella, Nicholas A.

    Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment

  17. Limits to parameterizing brown carbon absorption in models

    NASA Astrophysics Data System (ADS)

    Forrister, H.; Liu, J.; Zhang, Y.; Wang, Y.; Dibb, J. E.; Scheuer, E. M.; Anderson, B. E.; Thornhill, K. L., II; Schwarz, J. P.; Perring, A. E.; Jimenez, J. L.; Campuzano-Jost, P.; Diskin, G. S.; Nenes, A.; Weber, R. J.

    2016-12-01

    Absorbing aerosols emitted from biomass burning, like black carbon (BC) and brown carbon (BrC), affect radiative forcing and photochemical processing by absorbing light in the ultraviolet and visible wavelengths. The degree to which BC affects radiative forcing, as well as its sources and overall concentrations in the atmosphere, has been reasonably characterized through measurements and models. BrC constitutes a multitude of organic aerosol (OA) molecules that absorb light, is difficult to measure directly, and has sources not well-understood—so its effects on global radiative forcing have not been effectively modeled. Recently, laboratory measurements showed that kOA (the absorption term of the complex refractive index for organic aerosol) can be parameterized for fresh biomass burning emissions using the ratio of BC-to-OA and the wavelength dependence (w) of the aerosol. We use SEAC4RS and DC3 airborne filter measurements of BrC and airborne aerosol measurements of BC, OA, and w over the United States in order to investigate the degree to which this parameterization can be used to predict BrC absorption in the atmosphere at a range of altitudes. The previously suggested parameterization can characterize smoke plumes with fresh emissions, but fails to represent the regional characteristics. We discuss possible reasons behind this disagreement, including different aging mechanisms, semi-volatile properties, and atmospheric processing for BrC that is not consistent with BC or OA. Our findings have important implications for future measurements and models of BrC, as well as calculations of radiative forcing both regionally and globally.

  18. Nuclear magnetic resonance and molecular modeling study of exocyclic carbon-carbon double bond polarization in benzylidene barbiturates

    NASA Astrophysics Data System (ADS)

    Figueroa-Villar, J. Daniel; Vieira, Andreia A.

    2013-02-01

    Benzylidene barbiturates are important materials for the synthesis of heterocyclic compounds with potential for the development of new drugs. The reactivity of benzylidene barbiturates is mainly controlled by their exocyclic carbon-carbon double bond. In this work, the exocyclic double bond polarization was estimated experimentally by NMR and correlated with the Hammett σ values of the aromatic ring substituents and the molecular modeling calculated atomic charge difference. It is demonstrated that carbon chemical shift differences and NBO charge differences can be used to predict their reactivity.

  19. Modelling soil carbon flows and stocks following a carbon balance approach at regional scale for the EU-27

    NASA Astrophysics Data System (ADS)

    Lesschen, Jan Peter; Sikirica, Natasa; Bonten, Luc; Dibari, Camilla; Sanchez, Berta; Kuikman, Peter

    2014-05-01

    Soil Organic Carbon (SOC) is a key parameter to many soil functions and services. SOC is essential to support water retention and nutrient buffering and mineralization in the soil as well as to enhance soil biodiversity. Consequently, loss of SOC or low SOC levels might threaten soil productivity or even lead to a collapse of a farming system. Identification of areas in Europe with critically low SOC levels or with a negative carbon balance is a challenge in order to apply the appropriate strategies to restore these areas or prevent further SOC losses. The objective of this study is to assess current soil carbon flows and stocks at a regional scale; we follow a carbon balance approach which we developed within the MITERRA-Europe model. MITERRA-Europe is an environmental impact assessment model and calculates nitrogen and greenhouse emission on a deterministic and annual basis using emission and leaching factors at regional level (NUTS2, comparable to province level) in the EU27. The model already contained a soil carbon module based on the IPCC stock change approach. Within the EU FP7 SmartSoil project we developed a SOC balance approach, for which we quantified the input of carbon (manure, crop residues, other organic inputs) and the losses of carbon (decomposition, leaching and erosion). The calculations rules from the Roth-C model were used to estimate SOC decomposition. For the actual soil carbon stocks we used the data from the LUCAS soil sample survey. LUCAS collected soil samples in 2009 at about 22000 locations across the EU, which were analysed for a range of soil properties. Land management practices are accounted for, based on data from the EU wide Survey on Agricultural Production Methods in the 2010 Farm Structure Survey. The survey comprises data on the application of soil tillage, soil cover, crop rotation and irrigation. Based on the simulated soil carbon balance and the actual carbon stocks from LUCAS we now can identify regions within the EU that

  20. Molecular DYNAmics of Soil Organic carbon (DYNAMOS *): a project focusing on soils and carbon through data and modeling

    NASA Astrophysics Data System (ADS)

    Hatté, C.; Balesdent, J.; Derenne, S.; Derrien, D.; Dignac, M.; Egasse, C.; Ezat, U.; Gauthier, C.; Mendez-Millan, M.; Nguyen Tu, T.; Rumpel, C.; Sicre, M.; Zeller, B.

    2009-12-01

    Here we present the first results of the DynaMOS project whose main issue is the build-up of a new generation of soil carbon model. The modeling will describe together soil organic geochemistry and soil carbon dynamics in a generalized, quantitative representation. The carbon dynamics time scale envisaged here will cover the 1 to 1000 yr range and described molecules will be carbohydrate, peptide, amino acid, lignin, lipids, their products of biodegradation and uncharacterized carbonaceous species of biological origin. Three main characteristics define DYNAMOS model originalities: it will consider organic matter at the molecular scale, integrate back to global scale and account for component vertical movements. In a first step, specific data acquisition will concern the production, fate and age of carbon of individual organic compounds. Dynamic parameters will be acquired by compound-specific carbon isotope analysis of both 13C and 14C, by GC/C/IR-MS and AMS. Sites for data acquisition, model calibration and model validation will be chosen on the base of their isotopic history and environmental constraints: 13C natural labeling (with and without C3/C4 vegetation changes), 13C/15N-labelled litter application in both forest and cropland. They include some long-term experiments owned by the partners themselves plus a worldwide panel of sites. In a second step the depth distribution of organic species, isotopes and ages in soils (1D representation) will be modeled by coupling carbon dynamics and vertical movement. Besides the main objective of providing a robust soil carbon dynamics model, DYNAMOS will assess and model the alteration of the isotopic signature of molecules throughout decay and create a shared database of both already published and new data of compound specific information. Issues of the project will concern different scientific fields: global geochemical cycles by refining the description of the terrestrial carbon cycle and entering the chemical

  1. Molecular DYNAmics of Soil Organic carbon (DYNAMOS ): a project focusing on soils and carbon through data and modeling

    NASA Astrophysics Data System (ADS)

    Mendez-Millan, Mercedes

    2010-05-01

    Here we present the first results of the DynaMOS project whose main issue is the build-up of a new generation of soil carbon model. The modeling will describe together soil organic geochemistry and soil carbon dynamics in a generalized, quantitative representation. The carbon dynamics time scale envisaged here will cover the 1 to 1000 yr range and describe molecule behaviours (i.e.)carbohydrate, peptide, amino acid, lignin, lipids, their products of biodegradation and uncharacterized carbonaceous species of biological origin. Three main characteristics define DYNAMOS model originalities: it will consider organic matter at the molecular scale, integrate back to global scale and account for component vertical movements. In a first step, specific data acquisition will concern the production, fate and age of carbon of individual organic compounds. Dynamic parameters will be acquired by compound-specific carbon isotope analysis of both 13C and 14C, by GC/C/IR-MS and AMS. Sites for data acquisition, model calibration and model validation will be chosen on the base of their isotopic history and environmental constraints: 13C natural labeling (with and without C3/C4 vegetation changes), 13C/15N-labelled litter application in both forest and cropland. They include some long-term experiments owned by the partners themselves plus a worldwide panel of sites. In a second step the depth distribution of organic species, isotopes and ages in soils (1D representation) will be modeled by coupling carbon dynamics and vertical movement. Besides the main objective of providing a robust soil carbon dynamics model, DYNAMOS will assess and model the alteration of the isotopic signature of molecules throughout decay and create a shared database of both already published and new data of compound specific information. Issues of the project will concern different scientific fields: global geochemical cycles by refining the description of the terrestrial carbon cycle and entering the chemical

  2. AN INTEGRATED MODELING FRAMEWORK FOR CARBON MANAGEMENT TECHNOLOGIES

    SciTech Connect

    Anand B. Rao; Edward S. Rubin; Michael B. Berkenpas

    2004-03-01

    CO{sub 2} capture and storage (CCS) is gaining widespread interest as a potential method to control greenhouse gas emissions from fossil fuel sources, especially electric power plants. Commercial applications of CO{sub 2} separation and capture technologies are found in a number of industrial process operations worldwide. Many of these capture technologies also are applicable to fossil fuel power plants, although applications to large-scale power generation remain to be demonstrated. This report describes the development of a generalized modeling framework to assess alternative CO{sub 2} capture and storage options in the context of multi-pollutant control requirements for fossil fuel power plants. The focus of the report is on post-combustion CO{sub 2} capture using amine-based absorption systems at pulverized coal-fired plants, which are the most prevalent technology used for power generation today. The modeling framework builds on the previously developed Integrated Environmental Control Model (IECM). The expanded version with carbon sequestration is designated as IECM-cs. The expanded modeling capability also includes natural gas combined cycle (NGCC) power plants and integrated coal gasification combined cycle (IGCC) systems as well as pulverized coal (PC) plants. This report presents details of the performance and cost models developed for an amine-based CO{sub 2} capture system, representing the baseline of current commercial technology. The key uncertainties and variability in process design, performance and cost parameters which influence the overall cost of carbon mitigation also are characterized. The new performance and cost models for CO{sub 2} capture systems have been integrated into the IECM-cs, along with models to estimate CO{sub 2} transport and storage costs. The CO{sub 2} control system also interacts with other emission control technologies such as flue gas desulfurization (FGD) systems for SO{sub 2} control. The integrated model is applied to

  3. Modelling Vegetation and the Carbon Cycle as Interactive Elements of the Climate system

    NASA Astrophysics Data System (ADS)

    Cox, P. M.; Betts, R. A.; Jones, C. D.; Spall, S. A.; Totterdell, I. J.

    INTRODUCTION MODEL DESCRIPTION Ocean-Atmosphere GCM (HadCM3L) The Hadley Centre Ocean Carbon Cycle Model (HadOCC) The Dynamic Global Vegetation Model (TRIFFID) PRE-INDUSTRIAL STATE Spin-up Methodology The Mean Pre-industrial State A FIRST TRANSIENT CLIMATE-CARBON CYCLE SIMULATION 1860-2000 2000-2100 DISCUSSION Sink-to-source Transitions in the Terrestrial Carbon Cycle CONCLUSIONS REFERENCES

  4. Phase Separation of Model Segmented Poly(Carbonate Urethanes)

    NASA Astrophysics Data System (ADS)

    Hernandez, Rebeca; Hung, Elena; Runt, James

    2006-03-01

    The present paper focuses on the phase separated morphology and segment demixing of model poly(carbonate urethanes) [PCU] with hard segment contents ranging from 30 -- 65% and soft segments composed of 1,6 poly(hexamethylene carbonate) [MW = 1K]. Hard segments were formed from 4,4'-methylenediphenyl diisocyanate and 1,4 butanediol. This family of materials represents a recent approach in the development of polyurethanes with improved long-term biostability, and is under clinical investigation in a number of biomedical devices. Only a single glass transition temperature was observed for each copolymer, increasing in temperature with increasing hard segment content. However, loss spectra from dynamic mechanical analysis showed clear evidence of two mixed phases. The results of small-angle X-ray scattering and tapping mode AFM experiments were consistent with these observations and will be discussed. Finally, these results will be compared with initial findings on phase separation in another family of polyurethane copolymers of current interest as blood-contact materials in biomedical devices having mixed poly(dimethylsiloxane) -- poly(hexamethyleneoxide) soft segments.

  5. Peculiarities of homooligonucleotides wrapping around carbon nanotubes: molecular dynamics modeling.

    PubMed

    Karachevtsev, Maxim V; Karachevtsev, Victor A

    2011-07-28

    Spontaneous adsorption of homooligonucleotides dC(25), dT(25), dG(25), and dA(25) on the surface of the carbon nanotube (16,0) has been simulated by the molecular dynamics method. It was demonstrated that the rate of pyrimidine oligonucleotide wrapping around the nanotube is higher than that of purine ones which do not form a complete pitch even after the maximum simulation time (50 ns). This behavior can be explained by a stronger self-stacking between the purines than pyrimidines, which prevents the reorientation of the polymer required for the acquisition of a more energetically favored conformation on the nanotube. Estimations obtained from modeling allowed to establish the oligonucleotide row which demonstrates decreasing interaction energies between oligonucleotides and the carbon nanotube: d(T)(25) > d(C)(25) > d(A)(25) ≈ d(G)(25). It was shown that the temperature growth increases the rate of oligonucleotides to reach the maximum binding energy mainly due to the destruction of nitrogen base self-stacking. Ribonucleic oligonucleotides r(C)(25), r(A)(25), and r(G)(25) do not make a pitch around the nanotube for 50 ns. The presence of the additional hydroxyl group in ribose restricts the conformational flexibility of ribonucleic oligonucleotides in comparison with their deoxy analogues and this reduces the possibility of rapid occupation of the stable conformation on the nanotube surface. © 2011 American Chemical Society

  6. Constitutive modeling of calcium carbonate supersaturated seawater mixtures

    NASA Astrophysics Data System (ADS)

    Reis, Martina; Sousa, Maria De Fátima; Bertran, Celso; Bassi, Adalberto

    2014-11-01

    Calcium carbonate supersaturated seawater mixtures have attracted attention of many researchers since the deposition of CaCO3(s) from such solutions can lead to scaling problems in oil fields. However, despite their evident practical importance in petroleum engineering, the hydro and thermodynamic behaviors of these mixtures have not been well-understood yet. In this work, a constitutive model based on the foundations of the constitutive theory of continuum mechanics, and the Müller-Liu entropy principle is proposed. The calcium carbonate supersaturated seawater mixture is regarded as a reactive viscous fluid with heat and electrical conductions. The obtained results indicate that the thermodynamic behavior of CaCO3 supersaturated seawater mixtures is closely related to the individual dynamics of each constituent of the mixture, particularly to the linear momentum, and mass exchanges. Furthermore, the results show that, unlike classical continuum mixtures, the extra entropy flux is not null, and higher-order gradients of deformation contribute to the residual entropy production of the class of mixtures under study. The results of this work may be relevant for the prevention of the mineral scale formation in oil fields. The first author acknowledges the São Paulo Research Foundation (Grant 2013/ 20872-2) for its funding.

  7. The global nonmethane reactive organic carbon budget: A modeling perspective

    NASA Astrophysics Data System (ADS)

    Safieddine, Sarah A.; Heald, Colette L.; Henderson, Barron H.

    2017-04-01

    The cycling of reactive organic carbon (ROC) is central to tropospheric chemistry. We characterize the global tropospheric ROC budget as simulated with the GEOS-Chem model. We expand the standard simulation by including new emissions and gas-phase chemistry, an expansion of dry and wet removal, and a mass tracking of all ROC species to achieve carbon closure. The resulting global annual mean ROC burden is 16 Tg C, with sources from methane oxidation and direct emissions contributing 415 and 935 Tg C yr-1. ROC is lost from the atmosphere via physical deposition (460 Tg C yr-1), and oxidation to CO/CO2 (875 Tg C yr-1). Ketones, alkanes, alkenes, and aromatic hydrocarbons dominate the ROC burden, whereas aldehydes and isoprene dominate the ROC global mean surface OH reactivity. Simulated OH reactivities are between 0.8-1 s-1, 3-14 s-1, and 12-34 s-1 over selected regions in the remote ocean, continental midlatitudes, and the tropics, respectively, and are consistent with observational constraints.

  8. DFT models of molecular species in carbonate molten salts.

    PubMed

    Carper, W Robert; Wahlbeck, Phillip G; Griffiths, Trevor R

    2012-05-10

    Raman spectra of high temperature carbonate melts are correlated with carbonate species modeled at 923 K using B3LYP/(6-311+G(2d,p)) density functional calculations. Species that are theoretically stable at 923 K include O(2-), O(2)(-), O(2)(2-), CO(3)(2-), C(2)O(6)(2-), CO(4)(-), CO(4)(2-), CO(4)(4-), CO(5)(2-), KCO(4)(-), LiCO(4)(-), KO(2)(-), LiO(2)(-), NaO(2)(-), KO(2), LiO(2), NaO(2), KCO(3)(-), LiCO(3)(-), and NaCO(3)(-). Triangular, linear, and bent forms are theoretically possible for KO(2)(-) and NaO(2)(-). Triangular and linear forms may exist for LiO(2)(-). Linear and triangular versions are theoretically possible for LiO(2)(-) and KO(2). A triangular version of NaO(2) may exist. The correlation between measured and theoretical Raman spectra indicate that monovalent cations are to be included in several of the species that produce Raman spectra.

  9. Carbonate apron models: Alternatives to the submarine fan model for paleoenvironmental analysis and hydrocarbon exploration

    USGS Publications Warehouse

    Mullins, H.T.; Cook, H.E.

    1986-01-01

    carbonate apron models presented here offer alternatives to the submarine-fan model for paleoenvironmental analysis and hydrocarbon exploration for mass-transported carbonate facies. ?? 1986.

  10. Observation-based modelling of permafrost carbon fluxes with accounting for deep carbon deposits and thermokarst activity

    NASA Astrophysics Data System (ADS)

    Schneider von Deimling, Thomas; Grosse, Guido; Strauss, Jens; Schirrmeister, Lutz; Morgenstern, Anne; Schaphoff, Sibyll; Meinshausen, Malte; Boike, Julia

    2015-04-01

    With rising global temperatures and consequent permafrost degradation a part of old carbon stored in high latitude soils will become available for microbial decay and eventual release to the atmosphere. To estimate the strength and timing of future carbon dioxide and methane fluxes from newly thawed permafrost carbon, we have developed a simplified, two-dimensional multi-pool model. As large amounts of soil organic matter are stored in depths below three meters, we have also simulated carbon release from deep deposits in Yedoma regions. For this purpose we have modelled abrupt thaw under thermokarst lakes which can unlock large amounts of soil carbon buried deep in the ground. The computational efficiency of our 2-D model allowed us to run large, multi-centennial ensembles of differing scenarios of future warming to express uncertainty inherent to simulations of the permafrost-carbon feedback. Our model simulations, which are constrained by multiple lines of recent observations, suggest cumulated CO2 fluxes from newly thawed permafrost until the year 2100 of 20-58 Pg-C under moderate warming (RCP2.6), and of 42-141Pg-C under strong warming (RCP8.5). Under intense thermokarst activity, our simulated methane fluxes proved substantial and caused up to 40 % of total permafrost-affected radiative forcing in the 21st century. By quantifying CH4 contributions from different pools and depth levels, we discuss the role of thermokarst dynamics in affecting future Arctic carbon release. The additional global warming through the release from newly thawed permafrost carbon proved only slightly dependent on the pathway of anthropogenic emission in our simulations and reached about 0.1°C by end of the century. The long-term, permafrost-affected global warming increased further in the 22nd and 23rd century, reaching a maximum of about 0.4°C in the year 2300.

  11. Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons.

    PubMed

    Jain, Surendra Kumar; Pellenq, Roland J-M; Gubbins, Keith E; Peng, Xuan

    2017-03-07

    Realistic molecular models of silica-templated CMK-1, CMK-3, and CMK-5 carbon materials have been developed by using carbon rods and carbon pipes that were obtained by adsorbing carbon in a model MCM-41 pore. The interactions between the carbon atoms with the silica matrix were described using the PN-Traz potential, and the interaction between the carbon atoms was calculated by the reactive empirical bond order (REBO) potential. Carbon rods and pipes with different thicknesses were obtained by changing the silica-carbon interaction strength, the temperature, and the chemical potential of carbon vapor adsorption. These equilibrium structures were further used to obtain the atomic models of CMK-1, CMK-3, and CMK-5 materials using the same symmetry as found in TEM pictures. These models are further refined and made more realistic by adding interconnections between the carbon rods and carbon pipes. We calculated the geometric pore size distribution of the different models of CMK-5 and found that the presence of interconnections results in some new features in the pore size distribution. Argon adsorption properties were investigated using GCMC simulations to characterize these materials at 77 K. We found that the presence of interconnection results greatly improves the agreement with available experimental data by shifting the capillary condensation to lower pressures. Adding interconnections also induces smoother adsorption/condensation isotherms, and desorption/evaporation curves show a sharp jump. These features reflex the complexity of the nanovoids in CMKs in terms of their pore morphology and topology.

  12. Carbon stock and carbon turnover in boreal and temperate forests - Integration of remote sensing data and global vegetation models

    NASA Astrophysics Data System (ADS)

    Thurner, Martin; Beer, Christian; Carvalhais, Nuno; Forkel, Matthias; Tito Rademacher, Tim; Santoro, Maurizio; Tum, Markus; Schmullius, Christiane

    2016-04-01

    Long-term vegetation dynamics are one of the key uncertainties of the carbon cycle. There are large differences in simulated vegetation carbon stocks and fluxes including productivity, respiration and carbon turnover between global vegetation models. Especially the implementation of climate-related mortality processes, for instance drought, fire, frost or insect effects, is often lacking or insufficient in current models and their importance at global scale is highly uncertain. These shortcomings have been due to the lack of spatially extensive information on vegetation carbon stocks, which cannot be provided by inventory data alone. Instead, we recently have been able to estimate northern boreal and temperate forest carbon stocks based on radar remote sensing data. Our spatially explicit product (0.01° resolution) shows strong agreement to inventory-based estimates at a regional scale and allows for a spatial evaluation of carbon stocks and dynamics simulated by global vegetation models. By combining this state-of-the-art biomass product and NPP datasets originating from remote sensing, we are able to study the relation between carbon turnover rate and a set of climate indices in northern boreal and temperate forests along spatial gradients. We observe an increasing turnover rate with colder winter temperatures and longer winters in boreal forests, suggesting frost damage and the trade-off between frost adaptation and growth being important mortality processes in this ecosystem. In contrast, turnover rate increases with climatic conditions favouring drought and insect outbreaks in temperate forests. Investigated global vegetation models from the Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP), including HYBRID4, JeDi, JULES, LPJml, ORCHIDEE, SDGVM, and VISIT, are able to reproduce observation-based spatial climate - turnover rate relationships only to a limited extent. While most of the models compare relatively well in terms of NPP, simulated

  13. Measuring and Modelling the Carbon Balance of Pinus palustris Savannas

    NASA Astrophysics Data System (ADS)

    Wright, J. K.; Williams, M. D.; Mitchell, R. J.; Starr, G.; McGee, J.; Whelan, A.

    2011-12-01

    Longleaf pine savannas currently occupy 1.4 million hectares in the South Eastern USA - only 2.6% of their original range. These fire-dependent ecosystems are highly biodiverse and of economic and ecological importance to the region. This region of the United States, however, is increasingly prone to severe drought, including a classified "exceptional" drought in 2011. Drought occurrence and severity are likely to increase in future climate scenarios. Moreover, increasing drought and accompanying wildfire will influence the carbon balance of the South East, a region identified as having the highest carbon sequestration potential in the USA. Thus, understanding the effects of drought on the native longleaf pine savanna land cover, therefore, is of both scientific and economic interest. Longleaf pine exists over a wide soil moisture gradient, driven by the texture and drainage capacity of the soils. These ecosystems therefore provide a natural laboratory for exploring the interaction between productivity, fire and water use. Here we present results of a 3 year study comparing the ecophysiology and carbon balance of two adjacent (5 mile separation) longleaf pine savanna flux sites, one xeric, one mesic. A process-based model (Soil-Plant-Atmosphere - SPA) and leaf-level measurements of photosynthesis and water use in drought and non-drought periods have enabled the authors to partition the carbon fluxes observed at each site into three functional groups (C4 understorey, C3 canopy and mid-storey). Results of this study show that the comparative overall productivity of wet and dry longleaf pine savannas varies through the year, with both wet and dry sites achieving similar productivity in the summer months but with the wet site exceeding the dry site during winter. We hypothesise that this difference is due to the activity of the seasonal C4 understorey. Results from SPA, flux data and field measurements suggest the understorey, dominated by the C4 grass Aristida stricta

  14. Modelling carbon dioxide emissions from agricultural soils in Canada.

    PubMed

    Yadav, Dhananjay; Wang, Junye

    2017-11-01

    Agricultural soils are a leading source of atmospheric greenhouse gas (GHG) emissions and are major contributors to global climate change. Carbon dioxide (CO2) makes up 20% of the total GHG emitted from agricultural soil. Therefore, an evaluation of CO2 emissions from agricultural soil is necessary in order to make mitigation strategies for environmental efficiency and economic planning possible. However, quantification of CO2 emissions through experimental methods is constrained due to the large time and labour requirements for analysis. Therefore, a modelling approach is needed to achieve this objective. In this paper, the DeNitrification-DeComposition (DNDC), a process-based model, was modified to predict CO2 emissions for Canada from regional conditions. The modified DNDC model was applied at three experimental sites in the province of Saskatchewan. The results indicate that the simulations of the modified DNDC model are in good agreement with observations. The agricultural management of fertilization and irrigation were evaluated using scenario analysis. The simulated total annual CO2 flux changed on average by ±13% and ±1% following a ±50% variance of the total amount of N applied by fertilising and the total amount of water through irrigation applications, respectively. Therefore, careful management of irrigation and applications of fertiliser can help to reduce CO2 emissions from the agricultural sector. Copyright © 2017 Elsevier Ltd. All rights reserved.