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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. X-ray emission from the remnant of a carbon deflagration supernova - SN 1572 (Tycho)

    SciTech Connect

    Itoh, H.; Masai, K.; Nomoto, K.

    1988-11-01

    A spherically symmetric hydrodynamic code is used to study the evolution of a young supernova remnant on the basis of a carbon deflagration model for type Ia supernovae. The nonequilibrium X-ray emission has been determined for the elemental composition of the model. The discrepancy between the derived intensity of the Fe D-alpha line blend and the observed value is eliminated by assuming that the stratification of the elemental composition in the supernova ejecta is partially removed by mixing. 59 references.

  4. Properties of Deflagration Fronts and Models for Type IA Supernovae

    NASA Astrophysics Data System (ADS)

    Domínguez, I.; Höflich, P.

    2000-01-01

    Detailed models of the explosion of a white dwarf that include self-consistent calculations of the light curve and spectra provide a link between observational quantities and the underlying explosion model. These calculations assume spherical geometry and are based on parameterized descriptions of the burning front. Recently, the first multidimensional calculations for nuclear burning fronts have been performed. Although a fully consistent treatment of the burning fronts is beyond the current state of the art, these calculations provide a new and better understanding of the physics. Several new descriptions for flame propagation have been proposed by Khokhlov et al. and Niemeyer et al. Using various descriptions for the propagation of a nuclear deflagration front, we have studied the influence on the results of previous analyses of Type Ia supernovae, namely, the nucleosynthesis and structure of the expanding envelope. Our calculations are based on a set of delayed detonation models with parameters that give a good account of the optical and infrared light curves and of the spectral evolution. In this scenario, the burning front first propagates in a deflagration mode and subsequently turns into a detonation. The explosions and light curves are calculated using a one-dimensional Lagrangian radiation-hydro code including a detailed nuclear network. We find that the results of the explosion are rather insensitive to details of the description of the deflagration front, even if its speed and the time from the transition to detonation differ almost by a factor of 2. For a given white dwarf (WD) and a fixed transition density, the total production of elements changes by less than 10%, and the distribution in the velocity space changes by less than 7%. Qualitatively, this insensitivity of the final outcome of the explosion to the details of the flame propagation during the (slow) deflagration phase can be understood as follows: for plausible variations in the speed of

  5. 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.

  6. Observations and Modeling of the Component Mechanisms in Deflagration

    NASA Astrophysics Data System (ADS)

    Smilowitz, Laura; Henson, Bryan; Oschwald, David; Novak, Alan; Holmes, Matthew

    2013-06-01

    We have used dynamic x-ray and proton radiography to observe the behavior of a series of HMX based energetic materials formulations undergoing thermal explosions. The result of these observations is a mechanism for deflagration based on both gas phase convective burning and solid phase conductive burning. The velocities for both the convective and conductive burns are tied together by the single combustion pressure driving both in a single experiment. The convective rate is directly measured as the burn front in the radiographs. The pressure associated with that rate is inferred from independently measured burn rate verses pressure data. This same pressure is then assumed to drive the conductive burning which begins as the convective burn front lights the material surface. Using a single, independently validated particle size distribution for damaged HMX, the combination of pressure driven convective lighting and conductive consumption is then calculated and compared to the measured transmission data sets. This same model with different initial pressurizations is used to successfully model deflagration in PBX9501, PBXN-9, and LX-07. In addition, a correlation between initial pressurization, convective/conductive velocity, and final ``reaction violence'' is observed. This leads us to the use of convective velocity as a metric for final energy release rate and therefore overall reaction violence.

  7. 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.

  8. Diffusively anisotropic model for the deflagration-to-detonation transition

    NASA Astrophysics Data System (ADS)

    Kagan, Leonid; Sivashinsky, Gregory

    2014-03-01

    To elucidate the key mechanisms responsible for the transition from deflagrative to detonative combustion in smooth-walled channels, a reactive flow with anisotropic thermal and molecular diffusivities is considered. Setting the transverse diffusivities large compared to longitudinal diffusivities, the initially formed deflagration (despite no-slip boundary conditions) appears to be nearly planar and not accelerating. This, however, does not prevent its eventual abrupt transition to Chapman-Jouguet detonation.

  9. Theoretical light curves for deflagration models of type Ia supernova

    NASA Astrophysics Data System (ADS)

    Blinnikov, S. I.; Röpke, F. K.; Sorokina, E. I.; Gieseler, M.; Reinecke, M.; Travaglio, C.; Hillebrandt, W.; Stritzinger, M.

    2006-07-01

    Aims.We present synthetic bolometric and broad-band UBVRI light curves of SNe Ia for four selected 3D deflagration models of thermonuclear supernovae. Methods: .The light curves are computed with the 1D hydro code stella, which models (multi-group time-dependent) non-equilibrium radiative transfer inside SN ejecta. Angle-averaged results from 3D hydrodynamical explosion simulations with the composition determined in a nucleosynthetic postprocessing step served as the input to the radiative transfer model. Results: .The predicted model {UBV} light curves do agree reasonably well with the observed ones for SNe Ia in the range of low to normal luminosities, although the underlying hydrodynamical explosion models produced only a modest amount of radioactive {}56Ni(i.e. 0.24-0.42 M⊙) and relatively low kinetic energy in the explosion (less than 0.7 × 1051 erg). The evolution of predicted B and V fluxes in the model with a {}56Nimass of 0.42 M⊙ follows the observed decline rate after the maximum very well, although the behavior of fluxes in other filters deviates somewhat from observations, and the bolometric decline rate is a bit slow. The material velocity at the photospheric level is on the order of 104 km s-1 for all models. Using our models, we check the validity of Arnett's rule, relating the peak luminosity to the power of the deposited radioactive heating, and we also check the accuracy of the procedure for extracting the {}56Nimass from the observed light curves. Conclusions: .We find that the comparison between theoretical light curves and observations provides a useful tool to validate SN Ia models. The steps necessary for improving the agreement between theory and observations are set out.

  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. Mesoscale Modeling of Deflagration-Induced Deconsolidation in Polymer-Bonded Explosives

    NASA Astrophysics Data System (ADS)

    Springer, H. Keo; Reaugh, J. E.; Glascoe, E. A.; Kercher, J. R.; Friedman, G.

    2011-06-01

    Initially intact 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 deflagration-induced damage on the transition to convective burning is not well understood. The objective of this study is to investigate the role of explosive constituent properties, microstructure, and deflagration velocity on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX was used as the model energetic grain. We used a JWL form for the unreacted and reacted equation-of-state of the HMX. Simplified strength and failure models were used for the HMX and the binder. The propensity for deconsolidation increased with increasing grain volume fraction, increasing porosity, decreasing binder strength, and increasing deflagration velocity. These studies are important because they enable the development of deflagration-induced damage models, as well as the design of inherently safer explosives. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work was funded by the Joint DoD/DOE Munitions Technology Development Program.

  12. 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. PMID:15245271

  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. Vented gas deflagrations; A detailed mathematical model tuned on a large set of experimental data

    SciTech Connect

    Canu, P.; Rota, R.; Carra, S. . Ist. di Chimica Fisica); Morbidelli, M. )

    1990-04-01

    A detailed mathematical model based on conservation laws and physiochemical relationships has been developed to simulate vented gas deflagrations. The main phenomena involved are described using a priori relationships whenever well-established quantitative theories are available. In the case of flame front acceleration due to flame wrinkling in closed vessels or to turbulence induced by vent opening, where such theories do not exist two empirical relationships have been introduced. These have been tuned by comparison with a collection of about 160 literature experimental data, covering a wide range of values for vessel volume (0.001--199 m{sup 3}), initial pressure (0.1--0.4 MPa), and bursting pressure (0.1--2.96 MPa) and including various vessel shapes and fuel-air compositions. The obtained average relative error in the maximum explosion pressure values is equal to 10.4%, comparable with the uncertainty inherent to the vented deflagration data considered. A dedicated computer algorithm has been developed to provide a fast running simulation program (i.e., about 10 seconds of CPU time on a VAX 8650 for a typical deflagration process).

  15. 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.

  16. 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)

  17. Vented gaseous deflagrations modelling of hinged inertial vent covers.

    PubMed

    Molkov, V V; Grigorash, A V; Eber, R M; Makarov, D V

    2004-12-10

    The model of explosion pressure build up in enclosures with inertial vent covers and the CINDY code implementing the model are validated against experiments by Hochst and Leuckel (1998) in a 50 m3 vessel with a pair of ceiling-mounted upwards-opening hinged doors in a 'butterfly' configuration with surface densities of 73 and 124 kg/m2 under conditions of initially quiescent and turbulent mixtures. The model and the code are further validated against an experiment by Zalosh (1978) in a 33.5 m3 room-like enclosure with a pair of wall-mounted rectangular doors, in a parallel configuration, each hinged at its bottom edge with a surface density of 23.1 kg/m2 and initially quiescent mixture. A formula for the torque acting upon a rotating venting door is derived under conditions of vent cover jet formation. The vent cover jet effect decreases the torque three times compared to an elementary approach valid at the start of vent cover movement. It is demonstrated that, similar to translating vent covers, the vent cover jet effect is crucial for prediction of interdependent vent cover displacement in time and pressure transients. PMID:15561358

  18. Reaction rate modeling in the deflagration to detonation transition of granular energetic materials

    SciTech Connect

    Son, S.F.; Asay, B.W.; Bdzil, J.B.; Kober, E.M.

    1996-07-01

    The problem of accidental initiation of detonation in granular material has been the initial focus of the Los Alamos explosives safety program. Preexisting models of deflagration-to-detonation transition (DDT) in granular explosives, especially the Baer and Nunziato (BN) model, have been examined. The main focus of this paper is the reaction rate model. Comparison with experiments are made using the BN rate model. Many features are replicated by the simulations. However, some qualitative features, such as inert plug formation in DDT tube-test experiments and other trends, are not produced in the simulations. By modifying the reaction rate model the authors show inert plug formation that more closely replicates the qualitative features of experimental observations. Additional improvements to the rate modeling are suggested.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. A Semi-Analytic Model of a Buoyant Flame Bubble Propagation During the Deflagration Phase of a Type Ia Supernova

    NASA Astrophysics Data System (ADS)

    Jumper, Kevin; Fisher, Robert

    2012-03-01

    Type Ia supernovae are astronomical events in which a white dwarf, the cold remnant of a star that has exhausted its hydrogen fuel, detonates and briefly produces an explosion brighter than most galaxies. Many researchers think that they could occur as the white dwarf approaches a critical mass of 1.4 solar masses by accreting matter from a companion main sequence star, a scenario that is referred to as the single-degenerate channel. Assuming such a progenitor, we construct a semi-analytic model of the propagation of a flame bubble ignited at a single off-center point within the white dwarf. The bubble then rises under the influences of buoyancy and drag, burning the surrounding fuel material in a process called deflagration. We contrast the behavior of the deflagration phase in the presence of a physically high Reynolds number regime with the low Reynolds number regimes inherent to three-dimensional simulations, which are a consequence of numerical viscosity. Our work may help validate three-dimensional deflagration results over a range of initial conditions.

  4. 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.

  5. The delayed-detonation model of a type IA supernovae. 1: The deflagration phase

    NASA Astrophysics Data System (ADS)

    Arnett, David; Livne, Eli

    1994-05-01

    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.

  6. 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.

  7. 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.

  8. A subgrid-scale model for deflagration-to-detonation transitions in Type Ia supernova explosion simulations. Numerical implementation

    NASA Astrophysics Data System (ADS)

    Ciaraldi-Schoolmann, F.; Seitenzahl, I. R.; Röpke, F. K.

    2013-11-01

    Context. Delayed detonations of Chandrasekhar-mass white dwarfs are a promising model for normal Type Ia supernova explosions. In these white dwarfs, the burning starts out as a subsonic deflagration and turns at a later phase of the explosion into a supersonic detonation. The mechanism of the underlying deflagration-to-detonation transition (DDT) is unknown in detail, but necessary conditions have been recently determined. The region of detonation initiation cannot be spatially resolved in multidimensional full-star simulations of the explosion. Aims: We develop a subgrid-scale model for DDTs in thermonuclear supernova simulations that is consistent with the currently known constraints. Methods: The probability of a DDT occurring is calculated from the distribution of turbulent velocities measured on the grid scale in the vicinity of the flame and the fractal flame surface area that satisfies further physical constraints, such as fuel fraction and fuel density. Results: The implementation of our DDT criterion provides a solid basis for simulations of thermonuclear supernova explosions in the delayed detonation scenario. It accounts for the currently known necessary conditions for the transition and avoids the inclusion of resolution-dependent quantities in the model. The functionality of our DDT criterion is demonstrated by the example of one three-dimensional thermonuclear supernova explosion simulation.

  9. Two-phase modeling of deflagration-to-detonation transition in granular materials: A critical examination of modeling issues

    SciTech Connect

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

    1999-02-01

    The two-phase mixture model developed by Baer and Nunziato (BN) to study the deflagration-to-detonation transition (DDT) in granular explosives is critically reviewed. The continuum-mixture theory foundation of the model is examined, with particular attention paid to the manner in which its constitutive functions are formulated. Connections between the mechanical and energetic phenomena occurring at the scales of the grains, and their manifestations on the continuum averaged scale, are explored. The nature and extent of approximations inherent in formulating the constitutive terms, and their domain of applicability, are clarified. Deficiencies and inconsistencies in the derivation are cited, and improvements suggested. It is emphasized that the entropy inequality constrains but does not uniquely determine the phase interaction terms. The resulting flexibility is exploited to suggest improved forms for the phase interactions. These improved forms better treat the energy associated with the dynamic compaction of the bed and the single-phase limits of the model. Companion papers of this study [Kapila {ital et al.}, Phys. Fluids {bold 9}, 3885 (1997); Kapila {ital et al.}, in preparation; Son {ital et al.}, in preparation] examine simpler, reduced models, in which the fine scales of velocity and pressure disequilibrium between the phases allow the corresponding relaxation zones to be treated as discontinuities that need not be resolved in a numerical computation. {copyright} {ital 1999 American Institute of Physics.}

  10. Experiments on Magnetic Deflagration

    NASA Astrophysics Data System (ADS)

    Tejada, Javier

    2011-03-01

    Magnetic deflagration was first observed in molecular magnets [1,2] and then in glassy magnetic materials like manganites [3,4] and intermetallic systems like Gd 5 Ge 4. The role of the chemical energy is played by the magnetic energy of the material. In the case of a molecular magnet, this is Zeeman energy, while in manganites and Gd 5 Ge 4 the free energy is a combination of the Zeeman energy and the energy of the metastable magnetic phase. In molecular magnets both the ignition process and the speed of the flame are assisted by quantum spin reversal. There also exists some evidence of the transition from deflagration to detonation. Various experimental techniques have been used to detect the speed of the magnetic flame. They include SQUID magnetometry, Hall bars and coils. Magnetic deflagration has been ignited by local heating, application of external fields, by surface acoustic waves and microwaves. High frequency EPR measurements of the population of spin levels permitted observation of magnetic deflagration in real time. The talk will review these experiments and their interpretation.

  11. Thermonuclear Supernovae: Simulations of the Deflagration Stage and Their Implications

    NASA Astrophysics Data System (ADS)

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

    2003-01-01

    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. 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

    2003-01-01

    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. PMID:12446871

  13. 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.

  14. Deflagration to detonation transition in thermonuclear supernovae

    SciTech Connect

    Khokhlov, A.M.; Oran, E.S.; Wheeler, J.C.

    1996-12-03

    The authors derive the criteria for deflagration to detonation transition (DDT) in a Type Ia supernova. The theory is based on the two major assumptions: (i) detonation is triggered via the Zeldovich gradient mechanism inside a region of mixed fuel and products, (ii) the mixed region is produced by a turbulent mixing of fuel and products either inside an active deflagration front or during the global expansion and subsequent contraction of an exploding white dwarf. The authors determine the critical size of the mixed region required to initiate a detonation in a degenerate carbon oxygen mixture. This critical length is much larger than the width of the reaction front of a Chapman-Jouguet detonation. However, at densities greater than = 5 x 10{sup 6} g/cc, it is much smaller than the size of a white dwarf. They derive the critical turbulent intensity required to create the mixed region inside an active deflagration front in which a detonation can form. They conclude that the density rho sub sigma at which a detonation can form in a carbon-oxygen white dwarf is low, approximately less than 2 to 5 x 10{sup 6} g/cc, but greater than 5 x 10{sup 6} g/cc.

  15. Spontaneous Deflagration-to-Detonation Transition in Thermonuclear Supernovae

    NASA Astrophysics Data System (ADS)

    Poludnenko, Alexei; Gamezo, Vadim; Oran, Elaine

    2013-11-01

    We present the analysis of the spontaneous deflagration-to-detonation transition (DDT) in turbulent thermonuclear flames in Type Ia supernovae - explosions of degenerate white dwarf stars in binary stellar systems. We show results of first-principles numerical calculations that are used to develop and validate a subgrid-scale model for predicting the onset of DDT in full-star calculations. We also discuss detailed properties of laminar thermonuclear deflagrations for compositions and densities, at which DDT is expected to occur.

  16. 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.

  17. 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.

  18. 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)

  19. a New Approach of the Deflagration to Detonation Transition in SNIa Thermonuclear Supernovae

    NASA Astrophysics Data System (ADS)

    Chièze, Jean Pierre; Charignon, Camille

    2015-03-01

    A wide class of type Ia thermonuclear supernovae models relies on the transition from the subsonic deflagration combustion regime to the supersonic detonation regime of the carbon and oxygen mixture of an accreting white dwarf, near the Chandrasekhar mass. We show that this can actually be achieved in a cold C+O white dwarf near the Chandrasekhar mass, with seed sound waves of relatively low Mach number M ˜ 0.02. Moreover, even weaker perturbations, with velocity perturbations as low as M ˜ 0.003 can trigger a detonation wave in SNIa progenitors models wich include the presence of a thin helium surface layer.

  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. Stability of cosmological deflagration fronts

    NASA Astrophysics Data System (ADS)

    Mégevand, Ariel; Membiela, Federico Agustín

    2014-05-01

    In a cosmological first-order phase transition, bubbles of the stable phase nucleate and expand in the supercooled metastable phase. In many cases, the growth of bubbles reaches a stationary state, with bubble walls propagating as detonations or deflagrations. However, these hydrodynamical solutions may be unstable under corrugation of the interface. Such instability may drastically alter some of the cosmological consequences of the phase transition. Here, we study the hydrodynamical stability of deflagration fronts. We improve upon previous studies by making a more careful and detailed analysis. In particular, we take into account the fact that the equation of motion for the phase interface depends separately on the temperature and fluid velocity on each side of the wall. Fluid variables on each side of the wall are similar for weakly first-order phase transitions, but differ significantly for stronger phase transitions. As a consequence, we find that, for large enough supercooling, any subsonic wall velocity becomes unstable. Moreover, as the velocity approaches the speed of sound, perturbations become unstable on all wavelengths. For smaller supercooling and small wall velocities, our results agree with those of previous works. Essentially, perturbations on large wavelengths are unstable, unless the wall velocity is higher than a critical value. We also find a previously unobserved range of marginally unstable wavelengths. We analyze the dynamical relevance of the instabilities, and we estimate the characteristic time and length scales associated with their growth. We discuss the implications for the electroweak phase transition and its cosmological consequences.

  5. Jet initiation of deflagration and detonation

    NASA Astrophysics Data System (ADS)

    Krok, James Christopher

    We have constructed a facility for the study of jet-initiated deflagration and detonation in hydrogen-air-steam mixtures. The facility is built around two pressure vessels. Mixtures of hydrogen, oxygen and nitrogen are spark-ignited in the driver vessel, generating a hot mixture of combustion products. The pressure rise ruptures a diaphragm, venting the products into the receiver vessel through nozzles of 12.7-92 mm diameter. The receiver is filled with hydrogen-air and hydrogen-oxygen mixtures diluted with either nitrogen or steam. The deflagration tests studied the lean and maximum-dilution limits of hydrogen-air mixtures ignited by a hydrogen-steam jet. The lean limit of 6% hydrogen was comparable to other studies. The maximum dilution limit for steam was 60%. This is higher than the limit found in spark/glow plug ignition experiments. Shock oscillations in the receiver increased with nozzle size. Further tests studied the initiation of detonation in both hydrogen-air and stoichiometric hydrogen-oxygen-diluent mixtures. In terms of jet diameter, D, and receiver detonation cell size, lambda, we found initiation limits of 2model does not adequately characterize jet initiation, as it does not reflect the conditions in the driver. The tests indicated that shock focusing plays an important role, promoting strong secondary explosions with or without prompt initiation of detonation. Mixtures with steam dilution were prone to DDT near the detonation limit, as the slower flame speed allows shock reflection and pressurization to occur before the reactants are consumed. Tests with nitrogen dilution had no DDT regime. Because of DDT and shock focusing, peak pressures were highest in mixtures that were slightly less sensitive than the detonation threshold. Schlieren movies confirmed the formation of a detonation near the nozzle exit.

  6. Jet initiation of deflagration and detonation

    NASA Astrophysics Data System (ADS)

    Krok, James Christopher

    We have constructed a facility for the study of jet-initiated deflagration and detonation in hydrogen-air-steam mixtures. The facility is built around two pressure vessels. Mixtures of hydrogen, oxygen and nitrogen are spark-ignited in the driver vessel, generating a hot mixture of combustion products. The pressure rise ruptures a diaphragm, venting the products into the receiver vessel through nozzles of 12.7-92 mm diameter. The receiver is filled with hydrogen-air and hydrogen-oxygen mixtures diluted with either nitrogen or steam.The deflagration tests studied the lean and maximum-dilution limits of hydrogen-air mixtures ignited by a hydrogen-steam jet. The lean limit of 6% hydrogen was comparable to other studies. The maximum dilution limit for steam was 60%. This is higher than the limit found in spark/glow plug ignition experiments. Shock oscillations in the receiver increased with nozzle size.Further tests studied the initiation of detonation in both hydrogen-air and stoichiometric hydrogen-oxygen-diluent mixtures. In terms of jet diameter, D, and receiver detonation cell size, [?], we found initiation limits of 2 < D[?] < 7, where other experiments required a D[?] of 11 or more. We propose that the D[?] model does not adequately characterize jet initiation, as it does not reflect the conditions in the driver.The tests indicated that shock focusing plays an important role, promoting strong secondary explosions with or without prompt initiation of detonation. Mixtures with steam dilution were prone to DDT near the detonation limit, as the slower flame speed allows shock reflection and pressurization to occur before the reactants are consumed. Tests with nitrogen dilution had no DDT regime. Because of DDT and shock focusing, peak pressures were highest in mixtures that were slightly less sensitive than the detonation threshold. Schlieren movies confirmed the formation of a detonation near the nozzle exit.

  7. 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.

  8. Deflagrations in hybrid CONe white dwarfs: a route to explain the faint Type Iax supernova 2008ha

    NASA Astrophysics Data System (ADS)

    Kromer, M.; Ohlmann, S. T.; Pakmor, R.; Ruiter, A. J.; Hillebrandt, W.; Marquardt, K. S.; Röpke, F. K.; Seitenzahl, I. R.; Sim, S. A.; Taubenberger, S.

    2015-07-01

    Stellar evolution models predict the existence of hybrid white dwarfs (WDs) with a carbon-oxygen core surrounded by an oxygen-neon mantle. Being born with masses ˜1.1 M⊙, hybrid WDs in a binary system may easily approach the Chandrasekhar mass (MCh) by accretion and give rise to a thermonuclear explosion. Here, we investigate an off-centre deflagration in a near-MCh hybrid WD under the assumption that nuclear burning only occurs in carbon-rich material. Performing hydrodynamics simulations of the explosion and detailed nucleosynthesis post-processing calculations, we find that only 0.014 M⊙ of material is ejected while the remainder of the mass stays bound. The ejecta consist predominantly of iron-group elements, O, C, Si and S. We also calculate synthetic observables for our model and find reasonable agreement with the faint Type Iax SN 2008ha. This shows for the first time that deflagrations in near-MCh WDs can in principle explain the observed diversity of Type Iax supernovae. Leaving behind a near-MCh bound remnant opens the possibility for recurrent explosions or a subsequent accretion-induced collapse in faint Type Iax SNe, if further accretion episodes occur. From binary population synthesis calculations, we find the rate of hybrid WDs approaching MCh to be of the order of 1 per cent of the Galactic SN Ia rate.

  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. Partial spin reversal in magnetic deflagration

    NASA Astrophysics Data System (ADS)

    Vélez, S.; Subedi, P.; Macià, F.; Li, S.; Sarachik, M. P.; Tejada, J.; Mukherjee, S.; Christou, G.; Kent, A. D.

    2014-04-01

    The reversal of spins in a magnetic material as they relax toward equilibrium is accompanied by the release of Zeeman energy, which can lead to accelerated spin relaxation and the formation of a well-defined self-sustained propagating spin-reversal front known as magnetic deflagration. To date, studies of Mn12-acetate single crystals have focused mainly on deflagration in large longitudinal magnetic fields, and they found a fully spin-reversed final state. We report a systematic study of the effect of a transverse magnetic field on magnetic deflagration, and we demonstrate that in small longitudinal fields the final state consists of only partially reversed spins. Further, we measured the front speed as a function of applied magnetic field. The theory of magnetic deflagration, together with a modification that takes into account partial spin reversal, fits the transverse field dependence of the front speed but not its dependence on the longitudinal field. The most significant result of this study is the finding of a partially spin-reversed final state, which is evidence that the spins at the deflagration front are also only partially reversed.

  11. 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.

  12. 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.

  13. Current Distribution Characterization and Circuit Analysis of a High Energy Pulsed Plasma Deflagration

    NASA Astrophysics Data System (ADS)

    Loebner, Keith; Poehlmann, Flavio; Cappelli, Mark

    2012-10-01

    Measurements and analysis of the transient current density within a coaxial electromagnetic plasma accelerator operating in a pulsed deflagration mode are presented. Current measurements are performed using an axial array of dual-Rogowksi coils in a balanced circuit configuration. An equivalent circuit model of the accelerator is formulated and compared with experimental data. Current distribution measurements were carried out over a wide range of operating conditions and compared with the equivalent circuit model in order to determine the governing physics of the discharge and verify the existence of a deflagration at all tested conditions.

  14. Development and application of a deflagration pressure analysis code for high level waste processing

    SciTech Connect

    Hensel, S.J.; Thomas, J.K.

    1994-06-01

    The Deflagration Pressure Analysis Code (DPAC) was developed primarily to evaluate peak pressures for deflagrations in radioactive waste storage and process facilities at the Savannah River Site (SRS). Deflagrations in these facilities are generally considered to be incredible events, but it was judged prudent to develop modeling capabilities in order to facilitate risk estimates. DPAC is essentially an engineering analysis tool, as opposed to a detailed thermal hydraulics code. It accounts for mass loss via venting, energy dissipation by radiative heat transfer, and gas PdV work. Volume increases due to vessel deformation can also be included using pressure-volume data from a structural analysis of the enclosure. This paper presents an overview of the code, benchmarking, and applications at SRS.

  15. 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.

  16. 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.

  17. 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.

  18. Hydrogen mixing and deflagration/detonation potential in a large, dry containment

    SciTech Connect

    Plys, M.G.; Elicson, G.T.; Cirauqui, C.; Otero, M.

    1996-12-31

    Severe accident analyses with MAAP4 may be supplemented by separate phenomena evaluations to determine the potential for deflagrations and detonations in a containment. Key phenomena evaluations are described here, and MAAP4 results are checked for consistency of the MAAP models for the case of a large, dry pressurized water reactor containment. For specific accident scenarios at Vandellos-II, we conclude that primary system heat losses induce significant containment mixing, rendering the potential for deflagration-to-detonation transition (DDT) highly unlikely to impossible and also signifying that hydrogen monitoring equipment should measure representative gas concentrations for application of severe accident management guidelines.

  19. Time-Resolved Plasma Density and Magnetic Field Measurements in a Pulsed Plasma Deflagration

    NASA Astrophysics Data System (ADS)

    Loebner, Keith; Cappelli, Mark

    2013-09-01

    Simultaneous time-resolved measurements of electron density and azimuthal magnetic field strength within a coaxial electromagnetic plasma accelerator operating in a pulsed deflagration mode are presented. Density measurements are performed via an optical interferometer of the Michelson type, while the Faraday rotation of the polarization plane of the same beam is measured in order to provide the magnetic field strength perpendicular to the direction of beam propagation. Experimental data is compared to magnetohydrodynamic simulation results and prior lower fidelity experimental results. Measurements were carried out over a wide range of operating conditions in order to validate the theoretical models describing the physics of the deflagration acceleration mechanism.

  20. Deflagration-to-detonation transition by amplification of acoustic waves in type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Charignon, C.; Chièze, J.-P.

    2013-02-01

    Aims: We study a new mechanism for deflagration-to-detonation transition in thermonuclear supernovae (SNe Ia), based on the formation of shocks by amplification of sound waves in the steep density gradients of white dwarfs envelopes. We characterise, in terms of wavelength and amplitude, the perturbations which will ignite a detonation after their amplification. Methods: This study was performed using the well tested HERACLES code, a conservative hydrodynamical code, validated in the present specific application by an analytical description of the propagation of sound waves in white dwarfs. Thermonuclear combustion of the carbon oxygen fuel was treated with the α-chain nuclear reactions network. Results: In planar geometry we found the critical parameter to be the height of shock formation. When it occurs in the inner dense regions (ρ > 106 g cm-3) detonation is inevitable but can take an arbitrarily long time. We found that ignition can be achieved for perturbation as low as Mach number: M ~ 0.005, with heating times compatible with typical explosion time scale (a few seconds). On the opposite no ignition occurs when shocks initiated by small amplitude or large wavelength form further away in less dense regions. We show finally that ignition is also achieved in a spherical self-gravitating spherical model of cold C+O white dwarf of 1.430 M⊙, but due to the spherical damping of sound waves it necessitates stronger perturbation (M ~ 0.02). Small perturbations (M ~ 0.003) could still trigger detonation if a small helium layer is considered. In the context of SNe Ia, one has to consider further the initial expansion of the white dwarf, triggered by the deflagration, prior to the transition to detonation. As the star expands, gradients get flatter and ignition requires increasingly strong perturbations.

  1. 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.

  2. 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.

  3. CFD simulation of hydrogen deflagration in a vented room

    NASA Astrophysics Data System (ADS)

    Tolias, I. C.; Venetsanos, A. G.; Markatos, N. C.; Kiranoudis, C. T.

    2015-09-01

    In the present work, CFD simulations of hydrogen deflagration in a real scale vented room are performed. Two ignition points were simulated: at the wall opposite to the vent (back ignition) and at the center of the chamber (center ignition). The overpressure time series and flame front velocities are compared with the experimental results. The combustion model is based on the turbulent flame speed concept. The turbulent flame speed is calculated based on a modification of Yakhot's equation, in order to account for all the main physical mechanisms which appear in hydrogen deflagrations. Special attention is given to the simulation of Rayleigh-Taylor instability. This instability occurs at the vent area and results in sudden explosion of the mixture that has been pushed outside the chamber at the initial stage of the explosion. The importance of this external explosion to the generated overpressures inside the chamber is highlighted. The agreement between experimental and computational results is satisfactory in both back ignition and center ignition cases.

  4. 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.

  5. 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.

  6. 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.

  7. Detonation and deflagration properties of pyrotechnic mixtures

    SciTech Connect

    Tanaka, Katsumi

    1996-07-01

    Theoretical calculation of detonation and deflagration properties of pyrotechnic mixtures have been performed including report charges and display charges. Calculation were performed with the KHT (Kihara-Hikta-Tanaka) code. KHT results are compared with a modified version of the TIGER code which allows calculation with 900 gaseous and 600 condensed product species at high pressure. Detonation properties computed by KHT and BKWS (Becker-Kistiakowskii-Wilson) give favorable agreement with experimental results of detonation velocity measurements. Hydrodynamic computation by one dimensional Lagrangian hydrodynamic code using the isentrope given by KHT constant volume explosion, indicated that experimental results for blast wave measurement for 30kg and 50kg of report charge were an incomplete reaction. Underwater detonation experiments with explosive charge of 25g, however, indicates a more energetic nature than the KHT prediction. This scale effect indicates complicated slow reactions and a number of condensed phase deflagration products of powder mixtures such as aluminum or titanium with oxidizers such as potassium perchlorate or nitrate salts as suggested by Hobbs et al.

  8. 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.

  9. 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.

  10. A study of deflagration and detonation in multiphase hydrocarbon-air mixtures

    SciTech Connect

    Smirnov, N.N.; Tyurnikov, M.V. . Dept. of Mechanics and Mathematics)

    1994-01-01

    This article represents a theoretical and experimental study of the problems of deflagration and detonation structure in heterogeneous media, which contains an oxidant in the gaseous phase and fuel in the form of either dispersed droplets in the oxidant flow or a thin film on the chamber walls. Detonation in such systems is shown to have a complex unsteady-state structure: the detonation front can exhibit mobile discontinuities and can pulsate periodically. A physical model of pulsating and spin detonation in heterogeneous media is developed. A system of governing equations with boundary conditions is composed that makes it possible to simulate mathematically the transition of deflagration to detonation. The transition process and the initiation of detonation are calculated numerically and studied experimentally. The comparison shows good agreement of theoretical and experimental results.

  11. 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)

  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. 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.

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

    DOE PAGESBeta

    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 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

  15. 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.

  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. 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.

  20. 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)

  1. Three-Dimensional Numerical Simulations of Type Ia Supernovae: Numerical Convergence for Deflagration Stage

    NASA Astrophysics Data System (ADS)

    Gamezo, V. N.; Khokhlov, A. M.; Oran, E. S.

    2002-05-01

    We consider a Type Ia supernova explosion originating as a deflagration in the center of a carbon-oxygen Chandrasekhar-mass white dwarf (WD) with initial composition 0.5C+0.5O, central density 2.0 x 109 g/cm3 and initial radius 2.1 x 108 cm. A three-dimensional (3D) numerical model is based on reactive Euler equations of fluid dynamics coupled with an equation of state for a degenerate matter and a simplified kinetics of energy release. The energy-release model provides the correct propagation velocity for a laminar flame and takes into account carbon burning, as well as nuclear statistical quasi-equilibrium and equilibrium relaxations. The model for the turbulent burning on scales that are not resolved in the simulations is based on the assumption that burning on small scales is driven by the gravity-induced Rayleigh-Taylor (RT) instability. We performed 3D calculations for the first 1.9 seconds of explosion using an adaptively refined structured mesh. For the highest-resolution case, the minimum cell size was 2.6 x 105 cm, and the mesh consisted of 108 computational cells by the end of the simulation. The flame, started as a sphere with the radius 3 x 106 cm, becomes very convoluted due to the RT and Kelvin-Helmholtz instabilities on resolved scales and develops multiple buoyant plumes. As the plumes grow, the unburnt material either sinks towards the center or expands more slowly than the burnt material inside the plumes. The material burns at all distances from the center even when the larger flame plumes reach the outer layers of the star. By 1.9 seconds, some of these plumes approach the surface of the expanding WD that extends to (5-6) x 108 cm from the center. About 50% of the material burns out releasing 1.3 x 1051 ergs of nuclear energy. The expansion velocity at the surface reaches 1.2 x 109 cm/s and continues to grow. A convergence study shows that at high resolutions, the results become practically independent on the computational cell size and

  2. 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.

  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. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Integrated Climate and Carbon-cycle Model

    Energy Science and Technology Software Center (ESTSC)

    2006-03-06

    The INCCA model is a numerical climate and carbon cycle modeling tool for use in studying climate change and carbon cycle science. The model includes atmosphere, ocean, land surface, and sea ice components.

  9. 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.

  10. 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.

  11. Magnetic deflagration in the molecular magnet manganese-12-ac

    NASA Astrophysics Data System (ADS)

    McHugh, Sean

    In 1995, Paulsen and Park [1, 2] observed abrupt spontaneous reversals of the magnetization in crystals of the molecular magnet Mn12-ac, which they dubbed "magnetic avalanches". They suggested that the magnetic avalanches were a thermal runaway process where the reversing spins release heat stimulating further relaxation. Various exotic phenomena were proposed as an alternative explanations [3]. In 2005, Suzuki et al. [4] established that this spontaneous magnetic relaxation occurs as a "front" separating regions of opposing magnetization that propagates at a constant speed through the crystal. They suggested that this propagating front is analogous to a flame in chemical deflagration and introduced the thermal relaxation process, magnetic deflagration. The analysis presented there was limited by lack of data. A more thorough comparison with the theory would require the ability to trigger avalanches in a more controlled way rather than wait for their spontaneous occurrence. The work presented in this thesis is a continuation of the program initiated by Suzuki [4, 5]. Significant progress experimental progress has been made allowing us to trigger avalanches over a wide range of conditions. The magnetization dynamics and the ignition temperatures are studied in detail using an array of micro-sized Hall sensors and Germanium thermometers. In addition, we report the existence of a new species of avalanches consisting only of the fast-relaxing isomers of Mn12-ac, the so-called "minor species". We explore avalanches of both species, as well as the interaction between them. Finally, a detailed analysis is performed to compare the experiment with the theory of magnetic deflagration [6]. We find the theory of magnetic deflagration to be consistent with the data and extract values for the key physical quantities: the thermal diffusivity and avalanche front temperatures. Agreement between our predicted values and an independent measurement of these quantities would provide

  12. Hycam camera study of the features of a deflagrating munition

    NASA Astrophysics Data System (ADS)

    Kinsey, Trevor J.; Bussell, T. J.; Chick, M. C.

    1991-04-01

    We report on the use of a rotating prism high speed camera (Hycam) in a field study of the early stages of the breakup characteristics of a deflagrating Composition B loaded 105 mm HE shell. The experiments are part of a program aimed at assessing candidate processes that may contribute to the mass detonation hazard of explosive stores. The experimental requirements for the successful observation of the deflagrating shell are described in detail. The camera was run at 35,000 to 40,000 pictures per second with a 1/10 shutter fitted. High intensity illumination of the shell was provided by an array of class S flash bulbs and diffusion screen. Baffles were essential in order to screen the shell from the expanding products of the shaped explosive charge device used to produce the controlled deflagration of the shell. The technique successfully allowed the determination of several parameters associated with the event including shell expansion rate, time to shell burst and initial fragment velocity. Products escaping from the cracking shell limited the use of the technique for studying shell to shell interactions.

  13. 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.

  14. 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.

  15. 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.

  16. Three-dimensional Delayed-Detonation Model of Type Ia Supernovae

    NASA Astrophysics Data System (ADS)

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

    2005-04-01

    We study a Type Ia supernova explosion using large-scale three-dimensional numerical simulations based on reactive fluid dynamics with a simplified mechanism for nuclear reactions and energy release. The initial deflagration stage of the explosion involves a subsonic turbulent thermonuclear flame propagating in the gravitational field of an expanding white dwarf. The deflagration produces an inhomogeneous mixture of unburned carbon and oxygen with intermediate-mass and iron-group elements in central parts of the star. During the subsequent detonation stage, a supersonic detonation wave propagates through the material unburned by the deflagration. The total energy released in this delayed-detonation process, (1.3-1.6)×1051 ergs, is consistent with a typical range of kinetic energies obtained from observations. In contrast to the deflagration model, which releases only about 0.6×1051 ergs, the delayed-detonation model does not leave carbon, oxygen, and intermediate-mass elements in central parts of a white dwarf. This removes the key disagreement between three-dimensional simulations and observations, and makes a delayed detonation the mostly likely mechanism for Type Ia supernova explosions.

  17. Study on the Mechanism of the Deflagration to Detonation Transition Process of Explosive

    NASA Astrophysics Data System (ADS)

    Wei, Lan; Dong, Hefei; Pan, Hao; Hu, Xiaomian; Zhu, Jianshi

    2014-10-01

    We present a numerical study of the mechanisms of the deflagration to detonation transition (DDT) process of explosives to assess its thermal stability. We treated the modeling system as a mixture of solid explosives and gaseous reaction products. We utilized a one-dimensional two-phase flow modeling approach with a space-time conservation element and solution element (CE/SE) method. Simulation results show that in the chemical reaction process a plug area of high density with relatively slow chemical reactions preceeds the new violent reactions and the consequent detonation. We found that steady detonation occurs at the regions where physical characteristics, such as pressure, density, temperature, and velocity, peak simultaneously. These simulation results agree well with high-temperature DDT tube experiments.

  18. Deflagration-to-Detonation Transition in Unconfined Media

    NASA Astrophysics Data System (ADS)

    Poludnenko, Alexei; Gardiner, Thomas; Oran, Elaine

    2011-11-01

    Deflagration-to-detonation transition (DDT) can occur in environments ranging from experimental and industrial systems on Earth to astrophysical thermonuclear supernovae explosions. In recent years, substantial progress has been made in elucidating the nature of this process in confined systems with walls, obstacles, etc. It remains unclear, however, whether a subsonic turbulent flame in an unconfined environment can undergo a DDT. We present simulations of premixed flames in stoichiometric H2-air and CH4-air mixtures interacting with high-intensity turbulence. These calculations demonstrate the DDT in unconfined systems unassisted by shocks or obstacles. We discuss the mechanism of this process and its implications.

  19. 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)

  20. Carbonate rock depositional models: A microfacies approach

    SciTech Connect

    Carozzi, A.V.

    1988-01-01

    Carbonate rocks contain more than 50% by weight carbonate minerals such as calcite, dolomite, and siderite. Understanding how these rocks form can lead to more efficient methods of petroleum exploration. Micofacies analysis techniques can be used as a method of predicting models of sedimentation for carbonate rocks. Micofacies in carbonate rocks can be seen clearly only in thin sections under a microscope. This section analysis of carbonate rocks is a tool that can be used to understand depositional environments, diagenetic evolution of carbonate rocks, and the formation of porosity and permeability in carbonate rocks. The use of micofacies analysis techniques is applied to understanding the origin and formation of carbonate ramps, carbonate platforms, and carbonate slopes and basins. This book will be of interest to students and professionals concerned with the disciplines of sedimentary petrology, sedimentology, petroleum geology, and palentology.

  1. Mechanism of deflagration-to-detonation transitions above repeated obstacles

    NASA Astrophysics Data System (ADS)

    Obara, T.; Kobayashi, T.; Ohyagi, S.

    2012-11-01

    Experiments are carried out to investigate the mechanism of the deflagration-to-detonation transition (DDT). Because, this mechanism has relevance to safety issues in industries, where combustible premixed gases are in general use. A stoichiometric gas of oxygen and hydrogen (oxy-hydrogen) is ignited in a tube, repeated obstacles are installed, and the DDT behaviours are visualized using a high-speed video camera. The pitch and height of the repeated obstacles and the initial pressure of the oxy-hydrogen premixed gas are varied in an attempt to obtain the optimum conditions that cause DDT a short distance from the ignition source. The experiments identified DDT as being essentially caused by one of the following mechanisms: (1) A deflagration wave is accelerated in terms of a vortex, which is generated behind the obstacle, and the flame acceleration induces a secondary shock wave. Eventually, the shock-flame interaction ahead of the obstacle causes DDT via a very strong local explosion. (2) Each shock wave generated by relatively weak local explosions between the obstacles is not sufficient to cause DDT directly, but DDT results from an accumulation of shock waves. The detonation induction distance is also examined, taking into account the physical and chemical parameters of the obstacles and the oxy-hydrogen premixed gas.

  2. 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.

  3. 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.

  4. 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.

  5. '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.

  6. 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.

  7. Mediterranean Miocene carbonates: facies models and diagenesis

    SciTech Connect

    Esteban, M.E.

    1987-11-01

    Miocene carbonates can bridge the gap between Holocene and older carbonate sequences, thus enhancing understanding of depositional and diagenetic patterns. Miocene carbonates can bridge this gap because of their similarity to Holocene counterparts and the ease of using these carbonates to reconstruct tectonic, paleogeographic, and paleoclimatic settings. In the Mediterranean, the Miocene provides a superb set of exposures and a wide variety of facies models in different geologic settings.

  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. 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.

  10. Deflagration-to-detonation transition in granular pentaerythritol tetranitrate

    NASA Astrophysics Data System (ADS)

    Luebcke, P. E.; Dickson, P. M.; Field, J. E.

    1996-04-01

    The deflagration-to-detonation transition process has been observed in pressed granular columns of the explosive pentaerythritol tetranitrate. Charges were confined within a steel housing which had been fitted with a polycarbonate window to allow direct recording by high-speed streak photography. The explosive was thermally ignited by a gasless pyrotechnic mixture to minimize pre-pressurization of the charge. The results indicate that upon ignition, early choked flow of the combustion gases prevents the continued propagation of the combustion via a convective heat transfer mechanism and that the propagation of reaction becomes governed by a leading compaction wave which causes ignition through the mechanical formation of hot spots. Detonation finally occurs when the leading front of an accelerating plug of highly compacted material (density close to the theoretical maximum) formed between the reaction front and the leading compaction wave, attains the critical pressure necessary for shock-to-detonation transition.

  11. 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.

  12. 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.

  13. 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.

  14. A universal model for nanoporous carbon supercapacitors

    SciTech Connect

    Huang, Jingsong; Sumpter, Bobby G; Meunier, Vincent

    2009-01-01

    Supercapacitors based on nanoporous carbon materials, commonly called electric double-layer capacitors (EDLCs), are emerging as a novel type of energy-storage device with the potential to substitute batteries in applications that require high power densities. Nanoporous carbon supercapacitors are generally viewed as a parallel-plate capacitor since supercapacitors store energy by charge separation in an electric double layer formed at the electrode/electrolyte interface. The EDLC model has been used to characterize the energy storage of supercapacitors for decades. We comment in this chapter on the shortcomings of the EDLC model when applied to nanoporous carbon supercapacitors. In response to the latest experimental breakthrough in nanoporous carbon supercapacitors, we have proposed a heuristic model that takes pore curvature into account as a replacement for the EDLC model. When the pore size is in the mesopore regime (2 50 nm), electrolyte counterions enter mesoporous carbons and approach the pore wall to form an electric double-cylinder capacitor (EDCC); in the micropore regime (< 2 nm), solvated/desolvated counterions line up along the pore axis to form an electric wire-in-cylinder capacitor (EWCC). In the macropore regime (> 50 nm), where pores are large enough so that pore curvature is no longer significant, the EDCC model can be reduced to the EDLC model. With the backing of experimental data and quantum density functional theory calculations, we have shown that the EDCC/EWCC model is universal for carbon supercapacitors with diverse carbon materials and electrolytes. The strengths and limitations of this new model are discussed. The new model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration, dielectric constant, and solute ion size, and may lend support to the systematic optimization of the properties of carbon supercapacitors through experiments.

  15. 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.

  16. 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.

  17. Study on the Mechanism of the Deflagration to Detonation Transition Process of Explosive

    NASA Astrophysics Data System (ADS)

    Ying, Yangjun; Hu, Xiaomian; Wei, Lan

    2014-03-01

    In this paper we presented a numerical study of the mechanisms of the deflagration to detonation transition (DDT) process of explosives to assess its thermal stability. We treated the modeling system as a mixture of solid explosives and gaseous reaction products. We utilized a one-dimensional two-phase flow modeling approach with space-time conservation element and solution element (CE/SE) method. Simulation results show a plug area of high density with relatively slow chemical reactions, whose forward boundary is the fast running shock wave, and rearward boundary is the burning wave.We identified a criterion of steady detonation through a detailed analysis of the characteristics of the reaction process: steady detonation occurs at locations where different physical quantities, such as pressure, density, temperature and velocity, reach peak values simultaneously.We also simulated the high temperature DDT tube experiments of HMX-based high explosive. We found good agreement between the simulation results of detonation velocity and run length determined by the above criterion and the experimental results.

  18. Computational Study of Deflagration to Detonation Transition in a Straight Duct: Effect of Energy Release

    NASA Astrophysics Data System (ADS)

    Dou, Hua-Shu; Hu, Zongmin; Khoo, Boo Cheong

    Numerical simulation based on the Euler equation and one-step reaction model is carried out to investigate the process of deflagration to detonation transition (DDT) occurring in a straight duct. The numerical method used includes a high resolution fifth-order weighted essentially nonoscillatory scheme for spatial discretization, coupled with a third order total variation diminishing Runge-Kutta time stepping method. In particular, effect of energy release on the DDT process is studied. The model parameters used are the heat release at q=50, 30, 25, 20, 15, 10 and 5, the specific heat ratio at 1.2, and the activation temperature at Ti=15, respectively. For all the cases, the initial energy in the spark is about the same compared to the detonation energy at the Chapman-Jouguet (CJ) state. It is found from the simulation that the DDT occurrence strongly depends on the magnitude of the energy release. The run-up distance of DDT occurrence decreases with the increase of the energy release for q=50 20, and increases with the increase of the energy release for q=50 20. It is concluded from the simulations that the interaction of the shock wave and the flame front is the main reason for leading to DDT.

  19. Modelling Carbon Nanotubes-Based Mediatorless Biosensor

    PubMed Central

    Baronas, Romas; Kulys, Juozas; Petrauskas, Karolis; Razumiene, Julija

    2012-01-01

    This paper presents a mathematical model of carbon nanotubes-based mediatorless biosensor. The developed model is based on nonlinear non-stationary reaction-diffusion equations. The model involves four layers (compartments): a layer of enzyme solution entrapped on a terylene membrane, a layer of the single walled carbon nanotubes deposited on a perforated membrane, and an outer diffusion layer. The biosensor response and sensitivity are investigated by changing the model parameters with a special emphasis on the mediatorless transfer of the electrons in the layer of the enzyme-loaded carbon nanotubes. The numerical simulation at transient and steady state conditions was carried out using the finite difference technique. The mathematical model and the numerical solution were validated by experimental data. The obtained agreement between the simulation results and the experimental data was admissible at different concentrations of the substrate. PMID:23012537

  20. Modelling carbon nanotubes-based mediatorless biosensor.

    PubMed

    Baronas, Romas; Kulys, Juozas; Petrauskas, Karolis; Razumiene, Julija

    2012-01-01

    This paper presents a mathematical model of carbon nanotubes-based mediatorless biosensor. The developed model is based on nonlinear non-stationary reaction-diffusion equations. The model involves four layers (compartments): a layer of enzyme solution entrapped on a terylene membrane, a layer of the single walled carbon nanotubes deposited on a perforated membrane, and an outer diffusion layer. The biosensor response and sensitivity are investigated by changing the model parameters with a special emphasis on the mediatorless transfer of the electrons in the layer of the enzyme-loaded carbon nanotubes. The numerical simulation at transient and steady state conditions was carried out using the finite difference technique. The mathematical model and the numerical solution were validated by experimental data. The obtained agreement between the simulation results and the experimental data was admissible at different concentrations of the substrate. PMID:23012537

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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. PMID:22213667

  9. 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

  10. 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.

  11. 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. PMID:21329200

  12. 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. PMID:17677251

  13. 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

  14. 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...

  15. 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)

  16. 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.

  17. 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.

  18. Visualization techniques for modelling carbon allotropes

    NASA Astrophysics Data System (ADS)

    Adler, Joan; Pine, Polina

    2009-04-01

    Carbon takes many different forms, each with its own electronic structure and has a fantastic range of properties. As well as graphite/diamond, a hexagonal diamond called londsdaleite, and amorphous carbons of sp 2, sp 3 and mixed natures there are all the fullerenes, graphene, nanotubes, etc. Fortunately, their different electronic structures take distinct geometrical forms, so that deducing the geometry of a sample that has been simulated is a crucial step towards understanding its properties. Visualization is essential for understanding sample geometries. AViz [J. Adler, Computers in Science and Engineering 5 (2003) 61] is an Atomistic Visualization package developed at the Technion that can be freely downloaded and installed. Both still and animated AViz implementations for viewing data from our atomistic simulations of carbon allotropes enable understanding of the simulation results and when compared with laboratory experiments and theoretical models provide insight into nanodiamond growth, gas flow in nanotubes, nanotube vibrations and other topics of current research interest.

  19. Performance model of molten carbonate fuel cell

    SciTech Connect

    Matsumoto, S.; Sasaki, A.; Urushibata, H.; Tanaka, T. )

    1990-06-01

    A performance model of a molten carbonate fuel cell (MCFC), that is an electrochemical energy conversion device for electric power generation, is discussed. The authors' purpose is to improve the presumptive ability of the MCFC model and to investigate the impact of MCFC characteristics in fuel cell system simulations. Basic data are obtained experimentally by single-cell tests. The authors pay special attention to the MCFC overall characteristics with respect to oxidant composition. A correlation formula based on the experimental data is derived as for the cell voltage, oxygen and carbon dioxide partial pressures. After three types of the MCFC system option are assumed, trade-off studies are made dependant on the performance models.

  20. 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

  1. 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).

  2. 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. PMID:24721693

  3. 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.

  4. 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.

  5. 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.

  6. Modeling of Carbon Impurity Anomalous Transport

    NASA Astrophysics Data System (ADS)

    Stamm, Roland; Voitsekhovitch, Irina; Benkadda, Sadri; Beyer, Peter; Koubiti, Mohamed; Marandet, Yannick; Godbert-Mouret, Laurence; Bateman, Glenn; Kritz, Arnold; Pankin, Andre

    2001-10-01

    An improvement of plasma confinement by impurity seeding has been observed on different Tokamak. The understanding of the physics of the impurity transport is an important step towards the control of the plasma confinement in such regimes. Different physical mechanisms of the anomalous transport of carbon impurity and their impact on the evolution of the scenario of a tokamak discharge are analyzed in this work. This is done by using a self-consistent modeling of thermal electron and ion energy, and main ion and carbon impurity content with the multi-mode model taking into account the contributions from different types of plasma instabilities [1]. This study has been performed for the medium size tokamak with a central heating of the electron and ion species, and with both central (NBI) and wall particle source. The L-mode scenario and the scenario with an improved particle and energy confinement due to the reversed q-profile has been analyzed and the influence of the carbon impurity on the plasma evolution has been investigated by varying the starting time and the magnitude of the carbon influx. The effect of the main ion dilution on the growth rate as well as the effect of radiative cooling at the plasma edge on the power balance are analyzed under different conditions. 1. Bateman G., et al., Phys. Plasmas, 5 (1998) 1793

  7. Theoretical Model for Nanoporous Carbon Supercapacitors

    SciTech Connect

    Sumpter, Bobby G; Meunier, Vincent; Huang, Jingsong

    2008-01-01

    The unprecedented anomalous increase in capacitance of nanoporous carbon supercapacitors at pore sizes smaller than 1 nm [Science 2006, 313, 1760.] challenges the long-held presumption that pores smaller than the size of solvated electrolyte ions do not contribute to energy storage. We propose a heuristic model to replace the commonly used model for an electric double-layer capacitor (EDLC) on the basis of an electric double-cylinder capacitor (EDCC) for mesopores (2 {50 nm pore size), which becomes an electric wire-in-cylinder capacitor (EWCC) for micropores (< 2 nm pore size). Our analysis of the available experimental data in the micropore regime is confirmed by 1st principles density functional theory calculations and reveals significant curvature effects for carbon capacitance. The EDCC (and/or EWCC) model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration and dielectric constant, and solute ion size. The new model not only explains the experimental data, but also offers a practical direction for the optimization of the properties of carbon supercapacitors through experiments.

  8. Modeling the diffusion effects through the iron carbonate layer in the carbon dioxide corrosion of carbon steel

    SciTech Connect

    Rajappa, S.; Zhang, R.; Gopal, M.

    1998-12-31

    A mechanistic model was developed for predicting carbon dioxide corrosion rates of carbon steel pipes in multiphase flow conditions. The model incorporates the chemistry, thermodynamics of carbon dioxide dissolution, multiphase mass transfer, electrochemical kinetics on the metal surface and the presence of a corrosion product film. The predicted corrosion rates show good agreement with the experimental results.

  9. 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).

  10. 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.

  11. 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.

  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. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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. PMID:19905222

  18. A comparison of deflagration rates, at elevated pressures and temperatures, with thermal explosion results

    NASA Astrophysics Data System (ADS)

    Glascoe, Elizabeth; Springer, H. Keo; Tringe, Joseph W.; Maienschein, Jon L.

    2011-06-01

    Previously, the deflagration rate and behavior of HMX-based explosives have been correlated with the violence of thermal explosion experiments. In particular, HMX materials that experience deconsolidative burning at elevated pressures (i.e. P = 200 - 600 MPa) also produce significantly more violent thermal explosions. Recently, we have measured the deflagration rates of HMX-based explosives at elevated temperatures (i.e. T = 150 - 180C) and moderate pressures (i.e. P = 10 - 100 MPa). These conditions more closely mimic the pressure and temperatures of an explosive shortly after ignition of a thermal explosion. We will discuss the deflagration rates of HMX based explosives at elevated temperatures and make comparisons with thermal explosion studies on the same materials. The Joint DoD-DOE Munitions Technology Development Program is acknowledged for funding. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  19. Quantum deflagration in Mn12-acetate in the presence of a transverse field

    NASA Astrophysics Data System (ADS)

    Subedi, Pradeep; Velez, Saul; Li, Shiqi; Sarachik, Myriam; Tejada, Javier; Kent, Andrew; Mukherjee, Shreya; Christou, George

    2012-02-01

    Mn12-acetate single crystal have been shown to exhibit abrupt reversal of the magnetic moment through propagation of a narrow front at subsonic velocities, termed magnetic deflagration [1]. Experiments where avalanches in Mn12-acetate are triggered at a fixed applied field have shown that the velocity of the front has maxima at resonant fields (kHo, Ho = 0.45 T, k>1), due to thermally assisted tunneling of magnetization [2]. Application of a transverse field increases the tunnel splitting, which increases the magnetic relaxation and allows us to explore the deflagration for the first time at small longitudinal fields (k=0 and 1). Using time resolved measurements of local magnetization by an array of micron sized Hall sensors at temperature of 350 mK, we present the measurements on both spontaneously ignited and triggered deflagration for a large transverse field (> 3 T) allowing us to explore directly the effect of a significant tunneling splitting on both the ignition and the velocity of the front. [1] Y. Suzuki, et. al PRL 95, 147201 (2005) [2] A. Hernandez-Minguez, et. al, PRL 95, 217205 (2005)

  20. Assessing variability in belowground carbon for CMIP-5 models

    NASA Astrophysics Data System (ADS)

    Todd-Brown, K. E.; Hoffman, F. M.; Randerson, J. T.; Post, W. M.; Allison, S. D.

    2011-12-01

    Soil carbon stocks and heterotrophic respiration are critical components of the global carbon cycle. This study compared soil carbon survey data with modeled stocks and assessed the magnitude of change in modeled soil carbon between 1850 and 2005. Model means (1995-2005) from the CMIP-5 historical experiment were compared to soil carbon estimates from the Harmonized World Soil Database (HWSD) across biomes derived from the MODIS/Terra+Aqua land cover type. Changes in soil carbon stocks were calculated as the difference between the 1850-1860 and 1995-2005 model means. In general, the models overestimated modern soil carbon stocks in areas of relatively low soil carbon (<100 kg m^-2) by 310 Pg (28%) and underestimated modern soil carbon stocks in areas of relatively high soil carbon (>100 kg m^-2) by 1012 Pg (85%) (n=7). Total modern soil carbon ranged from 1120-2523 Pg among the models versus 2280 Pg from the HWSD. These results imply that the models do not represent the high soil carbon of peatlands well. Models underestimated soil carbon in the boreal forest by 417 Pg (61%) (sd=47, cv=0.11, n=7). Soil carbon predictions for temperate forests were closest to HWSD with an overestimate of 13 Pg (21%) (sd=13, cv=0.96, n=7). Over the course of the simulations, average model soil carbon stocks increased 6% gobally (sd=4, cv=0.65, n=7) from 1563 Pg to 1664 Pg. This change was accompanied by a 22% (sd=5, cv=0.26, n=4) increase in modeled NPP from 73 Pg-C/yr to 89 Pg-C/yr for models that report NPP. In summary, the CMIP5 models tend to underestimate total soil carbon stocks, particularly in areas with high soil carbon concentration. Despite rising temperatures over the past 150 years, these models also predicted a substantial increase in soil carbon stocks that is likely due to increased NPP. Whether this rate of increase can be verified with empirical data or sustained over the 21st century is unclear. Given the discrepancies between modeled and observed distributions of

  1. Models for generation of carbonate cycles

    SciTech Connect

    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, the authors 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 meters thick result from low-amplitude sea-level oscillation of a few meters 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. 10 references.

  2. 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. PMID:16405463

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. Understanding carbon regulation in aquatic systems - Bacteriophages as a model.

    PubMed

    Sanmukh, Swapnil; Khairnar, Krishna; Paunikar, Waman; Lokhande, Satish

    2015-01-01

    The bacteria and their phages are the most abundant constituents of the aquatic environment, and so represent an ideal model for studying carbon regulation in an aquatic system. The microbe-mediated interconversion of bioavailable organic carbon (OC) into dissolved organic carbon (DOC) by the microbial carbon pump (MCP) has been suggested to have the potential to revolutionize our view of carbon sequestration. It is estimated that DOC is the largest pool of organic matter in the ocean and, though a major component of the global carbon cycle, its source is not yet well understood. A key element of the carbon cycle is the microbial conversion of DOC into inedible forms. The primary aim of this study is to understand the phage conversion from organic to inorganic carbon during phage-host interactions. Time studies of phage-host interactions under controlled conditions reveal their impact on the total carbon content of the samples and their interconversion of organic and inorganic carbon compared to control samples. A total organic carbon (TOC) analysis showed an increase in inorganic carbon content by 15-25 percent in samples with bacteria and phage compared to samples with bacteria alone. Compared to control samples, the increase in inorganic carbon content was 60-70-fold in samples with bacteria and phage, and 50-55-fold for samples with bacteria alone. This study indicates the potential impact of phages in regulating the carbon cycle of aquatic systems. PMID:26213615

  9. Understanding carbon regulation in aquatic systems - Bacteriophages as a model

    PubMed Central

    Sanmukh, Swapnil; Khairnar, Krishna; Paunikar, Waman; Lokhande, Satish

    2015-01-01

    The bacteria and their phages are the most abundant constituents of the aquatic environment, and so represent an ideal model for studying carbon regulation in an aquatic system. The microbe-mediated interconversion of bioavailable organic carbon (OC) into dissolved organic carbon (DOC) by the microbial carbon pump (MCP) has been suggested to have the potential to revolutionize our view of carbon sequestration. It is estimated that DOC is the largest pool of organic matter in the ocean and, though a major component of the global carbon cycle, its source is not yet well understood. A key element of the carbon cycle is the microbial conversion of DOC into inedible forms. The primary aim of this study is to understand the phage conversion from organic to inorganic carbon during phage-host interactions. Time studies of phage-host interactions under controlled conditions reveal their impact on the total carbon content of the samples and their interconversion of organic and inorganic carbon compared to control samples. A total organic carbon (TOC) analysis showed an increase in inorganic carbon content by 15-25 percent in samples with bacteria and phage compared to samples with bacteria alone. Compared to control samples, the increase in inorganic carbon content was 60-70-fold in samples with bacteria and phage, and 50-55-fold for samples with bacteria alone. This study indicates the potential impact of phages in regulating the carbon cycle of aquatic systems. PMID:26213615

  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. MODEL OF CARBON CYCLING IN THE PLANKTONIC FOOD WEB

    EPA Science Inventory

    A mathematical model of carbon fluxes through the heterotrophic microbial food web is developed from a synthesis of laboratory and field research. he basis of the model is the segregation of organic carbon into lability classes that are defined by bioassay experiments. acteria, p...

  13. MODEL OF CARBON CYCLING IN PLANKTONIC FOOD WEBS

    EPA Science Inventory

    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. acteria, p...

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

    SciTech Connect

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

    1993-06-01

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

  15. 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.

  16. 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.

  17. 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.

  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. PMID:15600681

  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. Deflagration-to-Detonation Transition Induced by Hot Jets in a Supersonic Premixed Airstream

    NASA Astrophysics Data System (ADS)

    Han, Xu; Zhou, Jin; Lin, Zhi-Yong; Liu, Yu

    2013-05-01

    Detonation is initiated through a hot jet in a supersonic premixed mixture of H2 and air, which is produced by using a air heater. The results show that initiation fails in the low-equivalence-ratio premixed gas. With the increase of equivalence ratio, the hot jet can induce deflagration to detonation transition (DDT) in the premixed mixture, which an indirect initiation of detonation. Further studies show that the DDT process is due to the combined effect of a local hemispherical explosion shock wave, the bow shock, and the flame produced by the hot jet.

  1. Study on the deflagration-to-detonation transition course of porous energetic material

    NASA Astrophysics Data System (ADS)

    Wei, Lan; Hao, Pengcheng; Dong, Hefei; Hu, Xiaomian; Zhu, Jianshi

    2012-02-01

    The deflagration-to-detonation transition (DDT) course of energetic material with different porosity ratio was studied utilizing a one-dimensional two-phase flow code. The equations were numerically solved by space-time conservation element and solution element (CE/SE) method. The distribution of physical quantities such as pressure and temperature were obtained together with their evolution history. The physical rules before detonation were mainly analyzed and the effect of convection on the chemical reaction of energetic material was emphasized on.

  2. A thermodynamic model for growth mechanisms of multiwall carbon nanotubes.

    SciTech Connect

    Kaatz, Forrest H.; Overmyer, Donald L.; Siegal, Michael P.

    2006-02-01

    Multiwall carbon nanotubes are grown via thermal chemical vapor deposition between temperatures of 630 and 830 C using acetylene in nitrogen as the carbon source. This process is modeled using classical thermodynamics to explain the total carbon deposition as a function of time and temperature. An activation energy of 1.60 eV is inferred for nanotube growth after considering the carbon solubility term. Scanning electron microscopy shows growth with diameters increasing linearly with time. Transmission electron microscopy and Raman spectroscopy show multiwall nanotubes surrounded by a glassy-carbon sheath, which grows with increasing wall thickness as growth temperatures and times rise.

  3. NHS at forefront of carbon modelling.

    PubMed

    Brockway, Paul

    2010-10-01

    Paul Brockway, senior sustainability consultant at Arup, reports on a carbon footprint study undertaken at the Barts and the London NHS Trust which set out to "understand carbon hotspots and identify actions that can save both money and carbon". The completion of the Barts study, believed to have been the first such initiative involving an NHS Trust, follows a national, Sustainability Development Unit-commissioned footprint study led by the author in 2008, and described in detail in the article, "Assessing the full carbon impacts of healthcare", in the IFHE Digest 2010. PMID:21058618

  4. Modeling fire and the terrestrial carbon balance

    NASA Astrophysics Data System (ADS)

    Prentice, I. C.; Kelley, D. I.; Foster, P. N.; Friedlingstein, P.; Harrison, S. P.; Bartlein, P. J.

    2011-09-01

    Four CO2 concentration inversions and the Global Fire Emissions Database (GFED) versions 2.1 and 3 are used to provide benchmarks for climate-driven modeling of the global land-atmosphere CO2 flux and the contribution of wildfire to this flux. The Land surface Processes and exchanges (LPX) model is introduced. LPX is based on the Lund-Potsdam-Jena Spread and Intensity of FIRE (LPJ-SPITFIRE) model with amended fire probability calculations. LPX omits human ignition sources yet simulates many aspects of global fire adequately. It captures the major features of observed geographic pattern in burnt area and its seasonal timing and the unimodal relationship of burnt area to precipitation. It simulates features of geographic variation in the sign of the interannual correlations of burnt area with antecedent dryness and precipitation. It simulates well the interannual variability of the global total land-atmosphere CO2 flux. There are differences among the global burnt area time series from GFED2.1, GFED3 and LPX, but some features are common to all. GFED3 fire CO2 fluxes account for only about 1/3 of the variation in total CO2 flux during 1997-2005. This relationship appears to be dominated by the strong climatic dependence of deforestation fires. The relationship of LPX-modeled fire CO2 fluxes to total CO2 fluxes is weak. Observed and modeled total CO2 fluxes track the El Niño-Southern Oscillation (ENSO) closely; GFED3 burnt area and global fire CO2 flux track the ENSO much less so. The GFED3 fire CO2 flux-ENSO connection is most prominent for the El Niño of 1997-1998, which produced exceptional burning conditions in several regions, especially equatorial Asia. The sign of the observed relationship between ENSO and fire varies regionally, and LPX captures the broad features of this variation. These complexities underscore the need for process-based modeling to assess the consequences of global change for fire and its implications for the carbon cycle.

  5. 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

  6. 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.

  7. Modelled sensitivities of biogenic carbon fluxes to variations in carbon dioxide and temperature

    NASA Astrophysics Data System (ADS)

    Schartau, M.; Engel, A.; Voelker, C.; Wolf-Gladrow, D.; Schroeter, J.

    2003-04-01

    One particular task of marine ecosystem models is to simulate the biogenic transformation of dissolved inorganic carbon (DIC) into organic matter and hence to quantify the export of particulate organic carbon (POC) to deep oceanic layers. To date, environmental changes, such as increasing carbon dioxide concentrations (pCO_2) and temperature, are perceived to have an impact on the formation of organic carbon. However, well established nitrogen or phosphorus based ecosystem models are insensitive to variations in the carbonate system. In order to investigate biological responses to pCO_2 variations, ecosystem models need to distinguish between carbon, nitrogen, and/or phosphorus cycles. We present a simple biological model which decouples carbon from nitrogen fluxes such that carbon found in transparent exopolymer particles (TEP) is additionally accounted for. The model regards phytoplankton acclimation to varying environmental conditions, having included parameterizations for phytoplankton growth as proposed by Geider et al.~(1998, L&O). By means of data assimilation, an optimal parameter set is determined, which brings model results into agreement with experimental data. From the optimised model results it is infered that about 50% of dissolved organic carbon (DOC) exuded by phytoplankton is subsequently transformed into TEP, eventually influencing the amount of POC available for the export flux. Model sensitivity studies are performed at local sites and along a latitudinal transect (30^oN-60^oN at 19^oW) in the North Atlantic. As soon as CO_2 limitation for phytoplankton growth is explicitely considered in the model, the formation of POC shows great sensitivity to pCO_2 variations. Temperature variations alter remineralisation rates and growth efficiencies. With the current model version dependencies between biomass accumulation, the date of nutrient depletion to occur, and the exudation of organic compounds are acquired.

  8. 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.

  9. 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.

  10. A model of carbon production in a cometary coma

    NASA Technical Reports Server (NTRS)

    Feldman, P. D.

    1978-01-01

    A model of the cometary ionosphere is developed in order to account for the large population of metastable C(D-1) atoms detected via the ultraviolet spectrum of Comet West (1976 VI). Dissociative recombination of CO(plus) ions and electrons is shown to be the dominant source of carbon atoms rather than photodissociation of CO so that the derived carbon production rate is only a lower limit to the evaporation rate of the carbon bearing mother molecule.

  11. The sphere-in-contact model of carbon materials.

    PubMed

    Zeinalipour-Yazdi, Constantinos D; Pullman, David P; Catlow, C Richard A

    2016-01-01

    A sphere-in-contact model is presented that is used to build physical models of carbon materials such as graphite, graphene, carbon nanotubes and fullerene. Unlike other molecular models, these models have correct scale and proportions because the carbon atoms are represented by their atomic radius, in contrast to the more commonly used space-fill models, where carbon atoms are represented by their van der Waals radii. Based on a survey taken among 65 undergraduate chemistry students and 28 PhD/postdoctoral students with a background in molecular modeling, we found misconceptions arising from incorrect visualization of the size and location of the electron density located in carbon materials. Based on analysis of the survey and on a conceptual basis we show that the sphere-in-contact model provides an improved molecular representation of the electron density of carbon materials compared to other molecular models commonly used in science textbooks (i.e., wire-frame, ball-and-stick, space-fill). We therefore suggest that its use in chemistry textbooks along with the ball-and-stick model would significantly enhance the visualization of molecular structures according to their electron density. Graphical Abstract A sphere-in-contact model of C60-fullerene. PMID:26791534

  12. 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.

  13. 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

  14. 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

  15. 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

  16. INDUCTION HEATING OF CARBON-FIBER COMPOSITES: THERMAL GENERATION MODEL

    EPA Science Inventory

    A theory of local and global mechanisms of heat generation and distribution in carbon-fiber-based composites subjected to an alternating magnetic field has been proposed. A model that predicts the strength and distribution of thermal generation through the thickness of carbon-fib...

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. Leaching modelling of slurry-phase carbonated steel slag.

    PubMed

    Costa, G; Polettini, A; Pomi, R; Stramazzo, A

    2016-01-25

    In the present work the influence of accelerated mineral carbonation on the leaching behaviour of basic oxygen furnace steel slag was investigated. The environmental behaviour of the material as evaluated through the release of major elements and toxic metals under varying pH conditions was the main focus of the study. Geochemical modelling of the eluates was used to derive a theoretical description of the underlying leaching phenomena for the carbonated material as compared to the original slag. Among the investigated elements, Ca and Si were most appreciably affected by carbonation. A very clear effect of carbonation on leaching was observed for silicate phases, and lower-Ca/Si-ratio minerals were found to control leaching in carbonated slag eluates as compared to the corresponding untreated slag sample as a result of Ca depletion from the residual slag particles. Clear evidence was also gained of solubility control for Ca, Mg and Mn by a number of carbonate minerals, indicating a significant involvement of the original slag constituents in the carbonation process. The release of toxic metals (Zn, V, Cr, Mo) was found to be variously affected by carbonation, owing to different mechanisms including pH changes, dissolution/precipitation of carbonates as well as sorption onto reactive mineral surfaces. The leaching test results were used to derive further considerations on the expected metal release levels on the basis of specific assumptions on the relevant pH domains for the untreated and carbonated slag. PMID:26489916

  2. 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.

  3. Observed nighttime conductance alters modeled global hydrology and carbon budgets

    NASA Astrophysics Data System (ADS)

    Lombardozzi, D. L.; Zeppel, M. J. B.; Fisher, R. A.; Tawfik, A.

    2015-12-01

    The terrestrial biosphere regulates climate through carbon, water, and energy exchanges with the atmosphere. Land surface models estimate plant transpiration, which is actively regulated by stomatal pores, and provide projections essential for understanding Earth's carbon and water resources. Empirical evidence from 204 species suggests that significant amounts of water are lost through leaves at night, though land surface models typically reduce stomatal conductance to nearly zero at night. Here, we apply observed nighttime stomatal conductance values to a global land surface model, to better constrain carbon and water budgets. We find that our modifications increase transpiration up to 5 % globally, reduce modeled available soil moisture by up to 50 % in semi-arid regions, and increase the importance of the land surface on modulating energy fluxes. Carbon gain declines up to ~ 4 % globally and > 25 % in semi-arid regions. We advocate for realistic constraints of minimum stomatal conductance in future climate simulations, and widespread field observations to improve parameterizations.

  4. 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...

  5. Modeling of exposure to carbon monoxide in fires

    NASA Technical Reports Server (NTRS)

    Cagliostro, D. E.

    1980-01-01

    A mathematical model is developed to predict carboxyhemoglobin concentrations in regions of the body for short exposures to carbon monoxide levels expected during escape from aircraft fires. The model includes the respiratory and circulatory dynamics of absorption and distribution of carbon monoxide and carboxyhemoglobin. Predictions of carboxyhemoglobin concentrations are compared to experimental values obtained for human exposures to constant high carbon monoxide levels. Predictions are within 20% of experimental values. For short exposure times, transient concentration effects are predicted. The effect of stress is studied and found to increase carboxyhemoglobin levels substantially compared to a rest state.

  6. 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.

  7. 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

  8. Experimental investigation of deflagration to detonation transition in hydrocarbon-air gaseous mixtures

    SciTech Connect

    Smirnov, N.N.; Tyurnikov, M.V.

    1995-03-01

    The paper presents the results of investigation of deflagration to detonation transition in gas mixtures with exothermic chemical reaction using the experimental method of nonintrusive diagnostics of the process. Schlieren photochronography in the optical sections in different places of the tube is performed using the laser as a source of light. Experimental results of visualization of the transition process in hydrocarbon-air gas mixtures show several different flow patterns: (1) The detonation wave originates in the flame zone. (2) The detonation wave originates between the flame zone and primary shock wave. (3) The secondary combustion zone originates between primary shock and the flame and causes the detonation. (4) Spontaneous flame occurs that leads to the combustion to detonation transition. The influence of the flame zone on the originating strong detonation wave is noticed.

  9. Effects of a Vortex Flow on Characteristics of Deflagration-to-Detonation Transition

    NASA Astrophysics Data System (ADS)

    Asato, Katsuo; Miyasaka, Takeshi; Watanabe, Yuta; Ishikawa, Soushin; Tanabashi, Kouki

    The effects of a vortex flow (VF) on the characteristics of deflagration-to-detonation transition (DDT) were examined in order to achieve the shortest distance of DDT for a pulse detonation engine (PDE). The DDT distances in a vortex flow were shortened by 15-47 % than those in a counterflow. The shortening effect becomes remarkable as the rotating velocity increases. Formation of the area of higher energy density in the ignition domain of the tube, and flame acceleration due to rapid flame propagation in the vortex flow and promotion of turbulence near the tube wall by the rotating velocity in the transition domain of the tube are considered to be the governing factors in shortening the DDT distance.

  10. Design and optimization of a deflagration to detonation transition (ddt) section

    NASA Astrophysics Data System (ADS)

    Romo, Francisco X.

    Throughout the previous century, hydrocarbon-fueled engines have used and optimized the `traditional' combustion process called deflagration (subsonic combustion). An alternative form of combustion, detonation (supersonic combustion), can increase the thermal efficiency of the process by anywhere from 20 - 50%. Even though several authors have studied detonation waves since the 1890's and a plethora of papers and books have been published, it was not until 2008 that the first detonation-powered flight took place. It lasted for 10 seconds at 100 ft. altitude. Achieving detonation presents its own challenges: some fuels are not prone to detonate, severe vibrations caused by the cyclic nature of the engine and its intense noise are some of the key areas that need further research. Also, to directly achieve detonation either a high-energy, bulky, ignition system is required, or the combustion chamber must be fairly long (5 ft. or more in some cases). In the latter method, a subsonic flame front accelerates within the combustion chamber until it reaches supersonic speeds, thus detonation is attained. This is called deflagration-todetonation transition (DDT). Previous papers and experiments have shown that obstacles, such as discs with an orifice, located inside the combustion chamber can shorten the distance required to achieve detonation. This paper describes a hands-on implementation of a DDT device. Different disc geometries inside the chamber alter the wave characteristics at the exit of the tube. Although detonation was reached only when using pure oxygen, testing identified an obstacle configuration for LPG and air mixtures that increased pressure and wave speed significantly when compared to baseline or other obstacle configurations. Mixtures of LPG and air were accelerated to Mach 0.96 in the downstream frame of reference, which would indicate a transition to detonation was close. Reasons for not achieving detonation may include poor fuel and oxidizer mixing

  11. Mesoscale challenge of extending atomistic scale chemistry of initiation reactions to deflagration-to-detonation transition

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Santanu

    2015-06-01

    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. However, connecting the events that leads to deflagration will require simulations using much larger length and time scale to connect the full reaction network. This constitutes a mesoscale challenge in energetic materials research. Recent advances in addressing this mesoscale chemistry challenge in other domains will be discussed. Development in coarse-grain simulations and accelerating reactive MD simulations faces the challenge of simplifying the chemistry by making assumptions on the mechanism with consequences on the outcome. For example, results from thermal ignition of different phases of RDX shows a complex reaction and deterministic behavior for critical temperature before ignition. First-principles calculations for validation of key pathways observed will be discussed. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. Smaller hot spots in simulations needed higher temperature for ignition of the solid. 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 polyradicals with triazine rings from the RDX molecules intact undergo ring-opening reactions which fuel a series of rapid exothermic chemical reactions. Our ongoing work on connecting mesoscale and continuum scale will be discussed. Funding from DTRA Grant # HDTRA1-13-1-0018 acknowledged.

  12. Modeling the contribution of dissolved organic carbon to carbon sequestration during the last glacial maximum

    NASA Astrophysics Data System (ADS)

    Ma, Wentao; Tian, Jun

    2014-10-01

    Dissolved organic carbon (DOC) is a carbon reservoir that is as large as the atmospheric CO2 pool, and its contribution to the global carbon cycle is gaining attention. As DOC is a dissolved tracer, its distribution can serve to trace the mixing of water masses and the pathways of ocean circulation. Published proxy and model reconstructions have revealed that, during the last glacial maximum (LGM), the pattern of deep ocean circulation differed from that of the modern ocean, whereby additional carbon is assumed to have been sequestered in stratified LGM deep water. The aim of this study is to explore the distribution of DOC and its production/removal rate during the LGM using the Grid ENabled Integrated Earth system model (GENIE). Modeled results reveal that increased salinity of bottom waters in the Southern Ocean is associated with stronger stratification and oxygen depletion. The stratified LGM deep ocean traps more nutrients, resulting in a decrease in the DOC reservoir size that, in turn, causes a negative feedback for carbon sequestration. This finding requires an increase in DOC lifetime to compensate for the negative feedback. The upper limit of DOC lifetime is assumed to be 20,000 years. Modeled results derive an increase (decrease) in DOC reservoir by 100 Pg C leading to an atmospheric CO2 decrease (increase) of 9.1 ppm and a dissolved inorganic carbon δ13C increase (decrease) of 0.06‰. The DOC removal rate is estimated to be 39.5 Tg C year-1 in the deep sea during the LGM. The contribution of DOC to the LGM carbon cycle elucidates potential carbon sink-increasing strategies.

  13. 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.

  14. Understanding the Dynamics of Soil Carbon in CMIP5 Models

    NASA Astrophysics Data System (ADS)

    Todd-Brown, K. E.; Luo, Y.; Randerson, J. T.; Allison, S. D.; Smith, M. J.

    2014-12-01

    Soil carbon stocks have the potential to be a strong source or sink for carbon dioxide over the next century, playing a critical role in climate change. These stocks are the result of small differences between much larger primary carbon fluxes: gross primary production, litter fall, autotrophic respiration and heterotrophic respiration. There was little agreement on predicted soil carbon stocks between Earth system models (ESMs) in the most recent Climate Model Intercomparison Project. Predicted present-day stocks ranged from roughly 500 Pg to over 3000 Pg and predicted changes over the 21st century ranged from -70 Pg to +250 Pg). The primary goal of this study was to understand why such large differences exist. We constructed four reduced complexity models to describe the primary carbon fluxes, making different assumptions about how soil carbon fluxes are modelled in ESMs. For each of these reduced complexity models we statistically inferred the most likely model parameters given the gridded ESM simulation outputs. Gross primary production was best explained by incoming short wave radiation, CO2 concentration, and leaf area index (global GPP comparison of simulation vs reduced complexity model of R2>0.9 (p < 1e-4) with slopes between 0.65 and 1.2 and intercepts between -13 and 67 Pg C yr-1). Autotrophic respiration was best explained as a proportion of GPP (R2 > 0.9 (p < 1e-4) with slopes between 0.78 and 1.1 and intercepts between -15 and 14 Pg C yr-1). Flux between the vegetation and soil pools were best explained as a proportion of the vegetation carbon stock (R2 > 0.9 (p < 1e-4) with slopes between 0.9 and 2.1 and intercepts between -65 and 25 Pg C yr-1). Finally heterotrophic respiration was best explained as a function of soil carbon stocks and soil temperature (R2 > 0.9 (p < 1e-4) with slopes between 0.7 and 1.5 and intercepts between -40 and 15 Pg C yr-1). This research suggests three main lines of decomposition model improvement: 1) improve connecting sub-models

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

    PubMed

    Chen, Shaoqing; Chen, Bin

    2016-05-01

    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. PMID:27063784

  16. 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.

  17. Theoretical Modeling of Mechanical-Electrical Coupling of Carbon Nanotubes

    SciTech Connect

    Lu, Jun-Qiang; Jiang, Hanqiang

    2008-01-01

    Carbon nanotubes have been studied extensively due to their unique properties, ranging from electrical, mechanical, optical, to thermal properties. The coupling between the electrical and mechanical properties of carbon nanotubes has emerged as a new field, which raises both interesting fundamental problems and huge application potentials. In this article, we will review our recently work on the theoretical modeling on mechanical-electrical coupling of carbon nanotubes subject to various loading conditions, including tension/compression, torsion, and squashing. Some related work by other groups will be also mentioned.

  18. A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbons, and Electrolyte

    SciTech Connect

    Sumpter, Bobby G; Huang, Jingsong; Meunier, Vincent

    2008-01-01

    Supercapacitors, commonly called electric double-layer capacitors (EDLCs), are emerging as a novel type of energy storage device with the potential to substitute batteries in applications requiring high power densities. In response to the latest experimental breakthrough in nanoporous carbon supercapacitors, we propose a heuristic theoretical model that takes pore curvature into account as a replacement for the EDLC model which is based on a traditional parallel-plate capacitor. When the pore size is in the mesopore regime (2-50 nm), counterions enter mesoporous carbons and approach the pore wall to form an electric double-cylinder capacitor (EDCC); in the micropore regime (< 2 nm), solvated/desolvated counterions line up along the pore axis to form an electric wire-in-cylinder capacitor (EWCC). In the macropore regime (> 50 nm) where pores are large enough so that the pore curvature is no longer significant, the EDCC model can be reduced naturally to the EDLC model. We present density functional theory calculations and detailed analyses of available experimental data in various pore regimes, showing the significant effects of pore curvature on the supercapacitor properties of nanoporous carbons. It is shown that the EDCC/EWCC model is universal to carbon supercapacitors with diverse carbon materials including activated carbons, template carbons, and novel carbide-derived carbons, and with diverse electrolytes including organic electrolytes such as tetraethylammonium tetrafluoroborate (TEABF4), tetraethylammonium methyl-sulfonate (TEAMS) in acetonitrile, aqueous H2SO4 and KOH electrolytes, and even ionic liquid electrolyte such as 1-ethyl-3-methylimmidazolium bis(trifluromethane-sulfonyl)imide (EMI-TFSI). The EDCC/EWCC model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration and dielectric constant, and solute ion size, and may lend a support for the systematic optimization of the

  19. 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. PMID:26124063

  20. 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)

  1. 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

  2. Export and Cycling of Continental Shelf Carbon: A Modeling Study

    NASA Astrophysics Data System (ADS)

    Siedlecki, S.; Archer, D.; Mahadevan, A.

    2004-12-01

    Continental margins play a significant role in the production and burial of organic carbon in the ocean, but these areas are poorly resolved in global circulation models. In this study, a high-resolution three-dimensional, nonhydrostatic idealized coastal model of the eastern United States after Mahadevan and Archer, 2000, 1998, was modified to simulate organic carbon production and export off the shelf. The model assumes a periodic north and south boundary, solid offshore and bottom boundaries, and a shelf-break density front determined by bathymetry. The model uses a free surface and a sigma grid in the vertical. We are in the process of formulating a carbon and nutrient component for this model. The model is initialized with a vertical nutrient profile taken from the open Atlantic Ocean. Mesoscale wind-driven circulation and vertical diffusion bring nutrients to the euphotic zone. Primary production is based on light availability and nutrient concentration. The particles advect with the flow and sink with a specified velocity. Remineralization is first-order in carbon concentration, and produces ammonia. Ammonia is slowly reoxidized to nitrate in subsurface waters, and used for recycled production in the euphotic zone. We are searching for a model of the production, sinking, and interconversion of multiple types of particles, which predicts the observed trends in f-ratio from coastal to pelagic ecosystems. The model is sensitive to sinking velocity, remineralization rate, vertical diffusivity, the uptake rate of nitrate, the uptake rate of ammonia, and the oxidation rate of ammonia to nitrate. Using the steady state solution of the one-dimensional model to initialize the three-dimensional model, we study the effect of vertical and horizontal advection and three-dimensional oceanographic processes on the distribution and export of carbon from the coastal system. We will compare the sensitivities of a box-budget, a one-dimensional diffusional, and the full 3-D

  3. 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

  4. Recent carbonate sedimentation on Balearic platform: model for temperate-climate carbonate shelves

    SciTech Connect

    Fornos, J.; Rodriguez-Perea, A.; Massuti, C.; Pomar, L.; Acosta, J.; Herranz, P.; Sanz, J.L.

    1989-03-01

    Existing models for carbonate sedimentation on continental platforms are derived from the study of modern carbonate platforms in tropical climates. The Balearic platform in the western Mediterranean provides a new model for carbonate sedimentation in a temperature, semiarid climate. On most of the continental shelf around the Balearic Islands, modern sediments are exclusively bioclastic carbonates. Shoreline carbonate sediments are bioclastic sands and muds accumulating in beach-dune systems without significant tidal influence (there are no astronomical tides in the western Mediterranean ). From the upper shoreface to 35 m deep, the sandy bottom is extensively colonized by sea grass (Posidonia oceanica), the rhizomes and roots of which form a rigid entrapment that retains the sediment derived from calcareous organisms living within the sea grass and from calcareous epiphytes living on the stems and leaves. Archeological dating establishes a rate of vertical accretion in this zone of 10/sup 3/ Bubnoff units (1 Bubnoff unit = 1 mm/1000 years). Between depths of 40 and 60 m, carbonate sands are composed predominantly or red-algal fragments. Intensely bioturbated wave ripples occur in environments dominated by laminar red algae (Lithothamnium and Phymatolithon). Below depths of 60 m, coarse sediment produced by rhodolitic and ramose red algae is deposited in areas of tens to hundreds of meters in size. Biogenic buildups up to 2 m high occur in sandy areas as well as in deeper muddy areas. At the same depth in open-platform zones, the bottom topography is characterized by large hummocks several hundred meters across. From the horizontal distribution of facies, it is possible to construct the probable vertical sequence of lithofacies which would characterize carbonates accumulating on a temperate-climate carbonate shelf. Many of these lithofacies are recognized in upper Miocene limestones on the Balearic Islands.

  5. 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. PMID:27235900

  6. 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.

  7. 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

  8. Simulation of carbon gasification kinetics using an edge recession model

    SciTech Connect

    Takashi Kyotani; Leon y Leon, C.A.L.; Radovic, L.R. )

    1993-07-01

    An edge recession modeling method is proposed as a new approach to the prediction of carbon gasification kinetics. Using this method, the variations in reactive surface area (RSA) and specific reactivity (R) with conversion were simulated for several polynuclear aromatic molecules adopted as models of carbon crystallites. The effects of crystallite size and shape, edge site reactivity and vacancies on the changes in RSA and R with conversion were investigated. As a result, RSA and R were found to be essentially independent of crystallite shape, but to depend on crystallite size and the presence of vacancies. Good agreement was obtained between model predictions and experimental data for several kinds of model carbon crystallites. In the case of structurally disordered carbons (such as chars), simultaneous gasification of model crystallites of two different sizes gave better predictions than that of single-size crystallites. The edge recession model is proposed as an alternative, or at least complementary, approach to the more conventional (and, arguably, less physically meaningful) pore structure development models.

  9. 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

  10. CRITIQUE OF CARBON BASED TREE GROWTH MODELS

    EPA Science Inventory

    Simulation models of the processes that control carbohydrate balance in coniferous trees are reviewed, and their appropriateness for assessing pollution effects is considered. Currently such models are at the forefront of attempts to simulate the growth process of trees, but they...

  11. 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.

  12. Evaluating soil carbon in global climate models: benchmarking, future projections, and model drivers

    NASA Astrophysics Data System (ADS)

    Todd-Brown, K. E.; Randerson, J. T.; Post, W. M.; Allison, S. D.

    2012-12-01

    The carbon cycle plays a critical role in how the climate responds to anthropogenic carbon dioxide. To evaluate how well Earth system models (ESMs) from the Climate Model Intercomparison Project (CMIP5) represent the carbon cycle, we examined predictions of current soil carbon stocks from the historical simulation. We compared the soil and litter carbon pools from 17 ESMs with data on soil carbon stocks from the Harmonized World Soil Database (HWSD). We also examined soil carbon predictions for 2100 from 16 ESMs from the rcp85 (highest radiative forcing) simulation to investigate the effects of climate change on soil carbon stocks. In both analyses, we used a reduced complexity model to separate the effects of variation in model drivers from the effects of model parameters on soil carbon predictions. Drivers included NPP, soil temperature, and soil moisture, and the reduced complexity model represented one pool of soil carbon as a function of these drivers. The ESMs predicted global soil carbon totals of 500 to 2980 Pg-C, compared to 1260 Pg-C in the HWSD. This 5-fold variation in predicted soil stocks was a consequence of a 3.4-fold variation in NPP inputs and 3.8-fold variability in mean global turnover times. None of the ESMs correlated well with the global distribution of soil carbon in the HWSD (Pearson's correlation <0.40, RMSE 9-22 kg m-2). On a biome level there was a broad range of agreement between the ESMs and the HWSD. Some models predicted HWSD biome totals well (R2=0.91) while others did not (R2=0.23). All of the ESM terrestrial decomposition models are structurally similar with outputs that were well described by a reduced complexity model that included NPP and soil temperature (R2 of 0.73-0.93). However, MPI-ESM-LR outputs showed only a moderate fit to this model (R2=0.51), and CanESM2 outputs were better described by a reduced model that included soil moisture (R2=0.74), We also found a broad range in soil carbon responses to climate change

  13. 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.

  14. 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.

  15. Modeling the carbon isotope composition of bivalve shells (Invited)

    NASA Astrophysics Data System (ADS)

    Romanek, C.

    2010-12-01

    The stable carbon isotope composition of bivalve shells is a valuable archive of paleobiological and paleoenvironmental information. Previous work has shown that the carbon isotope composition of the shell is related to the carbon isotope composition of dissolved inorganic carbon (DIC) in the ambient water in which a bivalve lives, as well as metabolic carbon derived from bivalve respiration. The contribution of metabolic carbon varies among organisms, but it is generally thought to be relatively low (e.g., <10%) in shells from aquatic organism and high (>90%) in the shells from terrestrial organisms. Because metabolic carbon contains significantly more C-12 than DIC, negative excursions from the expected environmental (DIC) signal are interpreted to reflect an increased contribution of metabolic carbon in the shell. This observation contrasts sharply with modeled carbon isotope compositions for shell layers deposited from the inner extrapallial fluid (EPF). Previous studies have shown that growth lines within the inner shell layer of bivalves are produced during periods of anaerobiosis when acidic metabolic byproducts (e.g., succinic acid) are neutralized (or buffered) by shell dissolution. This requires the pH of EPF to decrease below ambient levels (~7.5) until a state of undersaturation is achieved that promotes shell dissolution. This condition may occur when aquatic bivalves are subjected to external stressors originating from ecological (predation) or environmental (exposure to atm; low dissolved oxygen; contaminant release) pressures; normal physiological processes will restore the pH of EPF when the pressure is removed. As a consequence of this process, a temporal window should also exist in EPF at relatively low pH where shell carbonate is deposited at a reduced saturation state and precipitation rate. For example, EPF chemistry should remain slightly supersaturated with respect to aragonite given a drop of one pH unit (6.5), but under closed conditions

  16. 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.

  17. 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.

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

    PubMed

    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

  19. 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

  20. 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.

  1. 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. PMID:25044171

  2. 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.

  3. Modeling of elemental carbon over Europe

    NASA Astrophysics Data System (ADS)

    Tsyro, S.; Simpson, D.; Tarrasón, L.; Klimont, Z.; Kupiainen, K.; Pio, C.; Yttri, K. E.

    2007-12-01

    The regional EMEP model has been applied to calculate EC concentrations over Europe for the years 2002-2004 using a new EC emission inventory. The results are compared with measurements from the CARBOSOL and EMEP EC/OC campaigns. The model underestimates EC concentrations by 19% on average, and the spatial correlation is 0.80. For individual sites, the model bias varies from -79 to 77% and the average temporal correlation is 0.53, varying from 0.25 to 0.79. The model flattens the north-south EC gradient as it tends to overestimate EC for Nordic sites and underestimate EC for more southern sites. We have also studied the contributions of various processes to the model EC results. Using EC as a tracer of primary PM emissions from combustion sources we have made a preliminary evaluation of the anthropogenic EC (PM) emission. There are indications of a possible underestimation of EC emissions from traffic in some areas and both underestimation and overestimation of EC emissions from residential combustion for some European countries. The largest uncertainties probably lie in EC emissions from residential wood/fossil combustion and are associated with both emission factors and spatial and temporal variation. The need to develop accurate and time resolved wildfire emissions is emphasized. The effect of EC aging is shown be rather limited for most of Europe (1 to 4%). Changes in EC wet scavenging ratio have a noticeable effect on calculated EC (between 5 and 25% for most Europe and 30-40% in remote areas), but EC scavenging ratios are still poorly known.

  4. Modeling stable isotope and organic carbon in hillslope stormflow

    NASA Astrophysics Data System (ADS)

    Dusek, Jaromir; Vogel, Tomas; Dohnal, Michal; Marx, Anne; Jankovec, Jakub; Sanda, Martin; Votrubova, Jana; Barth, Johannes A. C.; Cislerova, Milena

    2016-04-01

    Reliable prediction of water movement and fluxes of dissolved substances (such as stable isotopes and organic carbon) at both the hillslope and the catchment scales remains a challenge due to complex boundary conditions and soil spatial heterogeneity. In addition, microbially mediated transformations of dissolved organic carbon (DOC) are known to affect balance of DOC in soils, hence the transformations need to be included in a conceptual model of a DOC transport. So far, only few studies utilized stable isotope information in modeling and even fewer linked dissolved carbon fluxes to mixing and/or transport models. In this study, stormflow dynamics of oxygen-18 isotope and dissolved organic carbon was analyzed using a physically based modeling approach. One-dimensional dual-continuum vertical flow and transport model, based on Richards and advection-dispersion equations, was used to simulate the subsurface transport processes in a forest soil during several observed rainfall-runoff episodes. The transport of heat in the soil profile was described by conduction-advection equation. Water flow and transport of solutes and heat were assumed to take place in two mutually communicating porous domains, the soil matrix and the network of preferential pathways. The rate of microbial transformations of DOC was assumed to depend on soil water content and soil temperature. Oxygen-18 and dissolved organic carbon concentrations were observed in soil pore water, hillslope stormflow (collected in the experimental hillslope trench), and stream discharge (at the catchment outlet). The modeling was used to analyze the transformation of input solute signals into output hillslope signals observed in the trench stormflow. Signatures of oxygen-18 isotope in hillslope stormflow as well as isotope concentration in soil pore water were predicted reasonably well. Due to complex nature of microbial transformations, prediction of DOC rate and transport was associated with a high uncertainty.

  5. 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.

  6. 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.

  7. Modeling of induced seismicity during mineral carbon sequestration

    NASA Astrophysics Data System (ADS)

    Yarushina, V.; Bercovici, D. A.

    2013-12-01

    Rapidly developing carbon capture and storage (CCS) technologies are a promising way of reducing the climate impact of greenhouse gases. These technologies involve injecting large amounts of CO2-bearing fluids underground, which potentially leads to high pore pressure and the conditions for seismic activity in the proximity of the injection site. Previously, we developed a simple conceptual model to estimate the seismic risk of mineral or mafic CCS operations (Yarushina & Bercovici, GRL vol.40, doi:10.1002/grl.50196, 2013). In this model, the storage reservoir is treated as a porous rock with grains that evolve during carbonation reactions. Seismic triggering occurs when local stresses at grain-grain contacts reach the Mohr-Coulomb failure criterion. We showed that injection of CO2 into reactive mafic or ultramafic rocks potentially reduces seismic risk since carbonation reactions increase the contact area between the rock grains and reduce the local stresses. Here we further develop this model and consider the effect of fluid injection flux and pressure gradients along grain boundaries on induced seismicity. Grain evolution not only changes the stress support but also alters the matrix permeability, which in turn affects the driving pressure gradients and the associated deviatoric stresses. The resulting coupled porous flow, chemical reactive grain-growth and failure model is an important step in understanding the seismic risks of carbon sequestration.

  8. An extremely carbon enhanced 'nova' model

    NASA Technical Reports Server (NTRS)

    Starrfield, S. G.; Sparks, W. M.; Truran, J. W.

    1975-01-01

    Expanding upon the authors' earlier work, Hoyle and Clayton (1974) have suggested that a thermonuclear runaway in a white dwarf envelope that consists of equal numbers of protons and C-12 nuclei will produce the s or r-process elements. The present work studies such a runaway and finds that these initial conditions cause a 'super' nova outburst that does not result in any s or r-process nucleosynthesis. However, the model is very interesting in that it reaches peak temperatures of 1.6 billion K and peak burning rates exceeding 2 times 10 to the 23rd erg/gm/sec. A shock forms and ejects 10 to the 29th grams moving with speeds up to 60,000 km/sec. The peak bolometric magnitude is -21.2 and this model will also produce a gamma-ray burst.

  9. 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

  10. Information for seasonal models of carbon fluxes in terrestrial biomes

    SciTech Connect

    King, A.W.; DeAngelis, D.L.

    1985-06-01

    This report is a compilation of information that can be used in developing seasonal carbon flux models for several principal terrestrial biome types. The information includes flux data as well as models made either to simulate such data or to deduce fluxes not directly measurable. The report is divided into three sections that examine (1) photosynthetic production, (2) litterfall, and (3) decomposition during a year. The sections on photosynthetic production and decomposition discuss a large number of models that relate the processes to basic abiotic variables in each of several biome types. The information on litterfall, however, is largely empirical phenology data. A fourth section demonstrates the application of this compiled information to a compartment model of seasonal carbon flux in terrestrial biomes. 14 figs., 12 tabs.

  11. Oxygen reduction by lithium on model carbon and oxidized carbon structures

    SciTech Connect

    Xu, Ye; Shelton Jr, William Allison

    2011-01-01

    Li-air batteries have attracted substantial interest for their high theoretical specific energies, but the oxygen reduction reaction by Li (Li-ORR) that occurs at the carbon cathode remains poorly understood. Periodic density functional theory calculations have been performed to examine the Li-ORR on several model carbon structures, including the graphite(0001) basal plane, the (8,0) single-wall nanotube, the armchair-type edge, and a di-vacancy in the basal plane. The inertness of the basal plane limits the reversible potential of O{sub 2} reduction to 1.1 V, and slightly higher to 1.2 V on the curved nanotube. The armchair edge and di-vacancy are highly reactive and significantly oxidized at ambient conditions to various CO{sub x} groups, which are reduced by Li via redox mechanisms at 1.2-1.4 V. These CO{sub x} groups can also catalyze O{sub 2} reduction at up to 2.3 V (an overpotential of 0.4 V vs. the calculated equilibrium potential for bulk Li{sub 2}O{sub 2} formation) by chelating and stabilizing the LiO{sub 2} intermediate. The Li-ORR on graphitic carbon, if via concerted Li{sup +}/e{sup -} transfer and involving carbon, lithium, and oxygen only, is therefore expected to initiate with the smallest overpotential at under-coordinated carbon centers that are oxidized at ambient conditions.

  12. Carbosoil, a land evaluation model for soil carbon accounting

    NASA Astrophysics Data System (ADS)

    Anaya-Romero, M.; Muñoz-Rojas, M.; Pino, R.; Jordan, A.; Zavala, L. M.; De la Rosa, D.

    2012-04-01

    The belowground carbon content is particularly difficult to quantify and most of the time is assumed to be a fixed fraction or ignored for lack of better information. In this respect, this research presents a land evaluation tool, Carbosoil, for predicting soil carbon accounting where this data are scarce or not available, as a new component of MicroLEIS DSS. The pilot study area was a Mediterranean region (Andalusia, Southern Spain) during 1956-2007. Input data were obtained from different data sources and include 1689 soil profiles from Andalusia (S Spain). Previously, detailed studies of changes in LU and vegetation carbon stocks, and soil organic carbon (SOC) dynamic were carried out. Previous results showed the influence of LU, climate (mean temperature and rainfall) and soil variables related with SOC dynamics. For instance, SCS decreased in Cambisols and Regosols by 80% when LU changed from forest to heterogeneous agricultural areas. Taking this into account, the input variables considered were LU, site (elevation, slope, erosion, type-of-drainage, and soil-depth), climate (mean winter/summer temperature and annual precipitation), and soil (pH, nitrates, CEC, sand/clay content, bulk density and field capacity). The available data set was randomly split into two parts: training-set (75%), and validation-set (25%). The model was built by using multiple linear regression. The regression coefficient (R2) obtained in the calibration and validation of Carbosoil was >0.9 for the considered soil sections (0-25, 25-50, and 50-75 cm). The validation showed the high accuracy of the model and its capacity to discriminate carbon distribution regarding different climate, LU and soil management scenarios. Carbosoil model together with the methodologies and information generated in this work will be a useful basis to accurately quantify and understanding the distribution of soil carbon account helpful for decision makers.

  13. 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.

  14. The development of laser ignited deflagration-to-detonation transition (DDT) detonators and pyrotechnic actuators

    SciTech Connect

    Merson, J.A.; Salas, F.J.; Harlan, J.G.

    1993-11-01

    The use of laser ignited explosive components has been recognized as a safety enhancement over existing electrical explosive devices (EEDs). Sandia has been pursuing the development of optical ordnance for many years with recent emphasis on developing optical deflagration-to-detonation (DDT) detonators and pyrotechnic actuators. These low energy optical ordnance devices can be ignited with either a semiconductor diode laser, laser diode arrays or a solid state rod laser. By using a semiconductor laser diode, the safety improvement can be made without sacrificing performance since the input energy required for the laser diode and the explosive output are similar to existing electrical systems. The use of higher powered laser diode arrays or rod lasers may have advantages in fast DDT applications or lossy optical environments such as long fiber applications and applications with numerous optical connectors. Recent results from our continued study of optical ignition of explosive and pyrotechnic materials are presented. These areas of investigation can be separated into three different margin categories: (1) the margin relative to intended inputs (i.e. powder performance as a function of laser input variation), (2) the margin relative to anticipated environments (i.e. powder performance as a function of thermal environment variation), and (3) the margin relative to unintended environments (i.e. responses to abnormal environments or safety).

  15. 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.

  16. [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. PMID:15766070

  17. 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)

  18. 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.

  19. The development of laser ignited deflagration-to-detonation transition (DDT) detonators and pyrotechnic actuators

    SciTech Connect

    Merson, J.A.; Salas, F.J.

    1994-05-01

    The use of laser ignited explosive components has been recognized as a safety enhancement over existing electrical explosive devices (EEDs). Sandia has been pursuing the development of optical ordnance for many years with recent emphasis on developing optical deflagration-to-detonation (DDT) detonators and pyrotechnic actuators. These low energy optical ordnance devices can be ignited with either a semiconductor diode laser, laser diode arrays or a solid state rod laser. By using a semiconductor laser diode, the safety improvement can be made without sacrificing performance since the input energy required for the laser diode and the explosive output are similar to existing electrical systems. The use of higher powered laser diode arrays or rod lasers may have advantages in fast DDT applications or lossy optical environments such as long fiber applications and applications with numerous optical connectors. Recent results from our continued study of optical ignition of explosive and pyrotechnic materials are presented. These areas of investigation can be separated into three different margin categories: (1) the margin relative to intended inputs ( i.e. powder performance as a function of laser input variation), (2) the margin relative to anticipated environments (i.e. powder performance as a function of thermal environment variation), and (3) the margin relative to unintended environments (i.e. responses to abnormal environments or safety).

  20. Deflagration-induced flash of solid pyrotechnics as pumps for high-energy solid state lasers

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoli; Liu, Liming; Tang, Yongjian

    2013-09-01

    Using the flash produced by deflagration of solid pyrotechnics to pump the laser gain medium is a potentially effective way to develop portable high power lasers. The purpose of this work is to examine the effect of some optimization or modifications in terms of compositions and distribution of the pyrotechnic pumping sources on the laser output. The optimization means the transmittance of the output couple. Modifications include: (1) pyrotechnic compositions are improved by adding small amounts of nano Al powders; (2) distribution of pumping light around the laser rod is changed through changing the discrete pyrotechnic tablets into continuous pyrotechnic bars. Results showed that laser output energy reached the maximum of 656 mJ when the transmittance of output mirror raised to10%; after adding nano Al powders into pyrotechnic compositions, laser energy increased by 80% at addition of 2% in the case of discrete distribution, while in the case of continuous distribution, even the mass of pyrotechnics was halved, laser energy still increased to the maximum of 442 mJ with 1% nano Al added. Besides, typical temporal waveform and spot of the laser as well as the light radiation performance of the pyrotechnic tablet are measured to help analyze the laser output performance. It is suggested that the mechanisms of the three modifications we employed are different though they all lead to increase in laser output.

  1. Modeling Corrosion Reactions of Steel in a Dilute Carbonate Solution

    NASA Astrophysics Data System (ADS)

    Eliyan, Faysal Fayez; Alfantazi, Akram

    2016-02-01

    This research models the corrosion reactions of a high-strength steel in an aerated, dilute, carbonate solution during a single-cycle voltammetry. Based on a previous study (Eliyan et al. in J Mater Eng Perform 24(6):1-8, 2015) and a literature survey, the corrosion reactions of the cathodic reduction, anodic dissolution, and passivation, as well as the interfacial interactions and the chemistry of the corrosion products are illustrated in schematics. The paper provides a visual guide on the corrosion reactions for steel in carbonate solutions based on the available mechanistic details that were reported and are still being investigated in literature.

  2. Multiscale modeling of carbon nanotube materials with distinct element method

    NASA Astrophysics Data System (ADS)

    Ostanin, Igor Aleksandrovich

    Mesoscale simulation techniques are becoming increasingly important due to the interest in complex mechanical problems involving nanoscale structures and materials. This work is devoted to the development of a novel mesoscopic modeling technique based on an extension of the distinct element method and its application to the problem of mechanical modeling of carbon nanotube materials. Starting from an atomistic description, the important interactions between segments of the tubes are encapsulated into two types of contact models. The nanomechanics of intratube bonds is characterized by the parallel bond contact model. Intertube interactions are accounted for by an anisotropic vdW contact model. Energy dissipation is formulated in a top-down manner, based on the macroscopic mechanical properties of carbon nanotube materials. The developed model is applied to the analysis of various mesoscopic structures and materials - self-folded nanotube configurations, nanotube bundles and ropes, nanotube papers and films. The results of mesoscopic simulations not only are in good agreement with experimental observations, but they also provide interesting insights on the roles of effects of morphology, vdW adhesion and registry, cross-linking and energy dissipation on the nanomechanics of carbon nanotube based materials.

  3. 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.

  4. 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

  5. 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.

  6. Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

    NASA Astrophysics Data System (ADS)

    Elliott, James A.; Shibuta, Yasushi; Amara, Hakim; Bichara, Christophe; Neyts, Erik C.

    2013-07-01

    We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of-the-art understanding of mechanisms controlling their growth rate, chiral angle, number of layers (walls), diameter, length and quality (defects), before presenting a new model for 2D nucleation of a graphene sheet from amorphous carbon on a nickel surface. Although many groups have modelled this process using a variety of techniques, we ask whether there are any complementary ideas emerging from the different proposed growth mechanisms, and whether different modelling techniques can give the same answers for a given mechanism. Subsequently, by comparing the results of tight-binding, semi-empirical molecular orbital theory and reactive bond order force field calculations, we demonstrate that graphene on crystalline Ni(111) is thermodynamically stable with respect to the corresponding amorphous metal and carbon structures. Finally, we show in principle how a complementary heterogeneous nucleation step may play a key role in the transformation from amorphous carbon to graphene on the metal surface. We conclude that achieving the conditions under which this complementary crystallisation process can occur may be a promising method to gain better control over the growth processes of both graphene from flat metal surfaces and CNTs from catalyst nanoparticles.

  7. Atomistic modelling of CVD synthesis of carbon nanotubes and graphene.

    PubMed

    Elliott, James A; Shibuta, Yasushi; Amara, Hakim; Bichara, Christophe; Neyts, Erik C

    2013-08-01

    We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of-the-art understanding of mechanisms controlling their growth rate, chiral angle, number of layers (walls), diameter, length and quality (defects), before presenting a new model for 2D nucleation of a graphene sheet from amorphous carbon on a nickel surface. Although many groups have modelled this process using a variety of techniques, we ask whether there are any complementary ideas emerging from the different proposed growth mechanisms, and whether different modelling techniques can give the same answers for a given mechanism. Subsequently, by comparing the results of tight-binding, semi-empirical molecular orbital theory and reactive bond order force field calculations, we demonstrate that graphene on crystalline Ni(111) is thermodynamically stable with respect to the corresponding amorphous metal and carbon structures. Finally, we show in principle how a complementary heterogeneous nucleation step may play a key role in the transformation from amorphous carbon to graphene on the metal surface. We conclude that achieving the conditions under which this complementary crystallisation process can occur may be a promising method to gain better control over the growth processes of both graphene from flat metal surfaces and CNTs from catalyst nanoparticles. PMID:23774798

  8. Permafrost carbon cycles under multifactor global change: a modeling analysis

    NASA Astrophysics Data System (ADS)

    Li, J.; Natali, S.; Schaedel, C.; Schuur, E. A.; Luo, Y.

    2012-12-01

    Carbon dioxide (CO2) and methane (CH4) from permafrost zones are projected to be elevated under global change scenarios, but the magnitude and spatiotemporal variation of these greenhouse gas sources are still highly uncertain. Here we implement and evaluate the integration of a methane model into the Community Atmosphere-Biosphere Land Exchange model (CABLE v1.5 of CSIRO, Australia) in order to explore the carbon emissions under warming, elevated CO2 and altered precipitation. The weather data was obtained from a tundra site named eight mile lake in Alaska and the data of years 2004-2009 was used to tune and validate the model. First, data obtained from measurement were transformed to meet the input weather data required by the model. Second, model parameters regarding vegetation and soil were modified to accurately simulate the permafrost site. For example, we modified the resistivity of soil in the model so that the modeled energy balance was found to match with the observations. Currently, the modeled NPP are relatively higher but soil temperature is lower than the observations. Third, a new methane module is being integrated into the model. We simulate the methane production, oxidation and emission processes (ebullition, diffusion and plant-aided transport). We test new functions for soil pH and redox potential that impact microbial methane production and oxidation in soils. We link water table position (WTP) with the available amount of decomposable carbon for methanogens, in combination with spatially explicit simulation of soil temperature. We also validated the model and resolved the discrepancy between the model and observation. In this presentation, we will describe results of simulations to forecast CO2 and CH4 fluxes under climate change scenarios.

  9. On calculating the transfer of carbon-13 in reservoir models of the carbon cycle

    SciTech Connect

    TANS, PIETER P.

    1980-10-01

    An approach to calculating the transfer of isotopic tracers in reservoir models is outlined that takes into account the effects of isotopic fractionation at phase boundaries without any significant approximations. Simultaneous variations in both the rare isotopic tracer and the total elemental (the sum of its isotopes) concentration are considered. The proposed procedure is applicable to most models of the carbon cycle and a four-box model example is discussed. Although the exact differential equations are non-linear, a simple linear approximation exists that gives insight into the nature of the solution. The treatment will be in terms of isotopic ratios which are the directly measured quantities.

  10. 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. The missing biology in land carbon models (Invited)

    NASA Astrophysics Data System (ADS)

    Prentice, I. C.; Cornwell, W.; Dong, N.; Maire, V.; Wang, H.; Wright, I.

    2013-12-01

    Models of terrestrial carbon cycling give divergent results, and recent developments - notably the inclusion of nitrogen-carbon cycle coupling - have apparently made matters worse. More extensive benchmarking of models would be highly desirable, but is not a panacea. Problems with current models include overparameterization (assigning separate sets of parameter values for each plant functional type can easily obscure more fundamental model limitations), and the widespread persistence of incorrect paradigms to describe plant responses to environment. Next-generation models require a more sound basis in observations and theory. A possible way forward will be outlined. It will be shown how the principle of optimization by natural selection can yield testable, general hypotheses about plant function. A specific optimality hypothesis about the control of CO2 drawdown versus water loss by leaves will be shown to yield global and quantitatively verifable predictions of plant behaviour as demonstrated in field gas-exchange measurements across species from different environments, and in the global pattern of stable carbon isotope discrimination by plants. Combined with the co-limitation hypothesis for the control of photosynthetic capacity and an economic approach to the costs of nutrient acquisition, this hypothesis provides a potential foundation for a comprehensive predictive understanding of the controls of primary production on land.

  16. 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.

  17. A generic biokinetic model for carbon-14 labelled compounds

    NASA Astrophysics Data System (ADS)

    Manger, Ryan Paul

    Carbon-14, a radioactive nuclide, is used in many industrial applications. Due to its wide range of uses in industry, many workers are at risk of accidental internal exposure to 14C. Being a low energy beta emitter, 14C is not a significant external radiation hazard, but the internal consequences posed by 14C are important, especially because of its long half life of 5730 years [46]. The current biokinetic model recommended by the International Commission on Radiological Protection (ICRP) is a conservative estimate of how radiocarbon is treated by the human body. The ICRP generic radiocarbon model consists of a single compartment representing the entire human body. This compartment has a biological half life of 40 days yielding an effective dose coefficient of 5.8x10-10 Sv B q-1 [44, 45, 49, 53, 54]. This overestimates the dose of all radiocarbon compounds that have been studied [96]. An improved model has been developed that includes and alimentary tract, a urinary bladder, CO2 model, and an "Other" compartment used to model systemic tissues. The model can be adapted to replicate any excretion curve and excretion pattern. In addition, the effective dose coefficient produced by the updated model is near the mean effective dose coefficient of carbon compounds that have been considered in this research. The major areas of improvement are: more anatomically significant, a less conservative dose coefficient, and the ability to manipulate the model for known excretion data. Due to the wide variety of carbon compounds, it is suggested that specific biokinetic models be implemented for known radiocarbon substances. If the source of radiocarbon is dietary, then the physiologically based model proposed by Whillans [102] that splits all ingested radiocarbon compounds into carbohydrates, fats, and proteins should be used.

  18. Carbon turnover in pore spaces - CIPS model approach

    NASA Astrophysics Data System (ADS)

    Kuka, Katrin

    2010-05-01

    The CIPS (Carbon turnover In Pore Spaces) model has been developed to overcome the constraints of conceptual pools and to get a better insight into the nature of carbon stabilization in soil (KUKA, 2007). This pure carbon turnover model was implemented in CANDY (CArbon and Nitrogen Dynamics) model system (Franko, 1995). The CIPS model did overcome the empirical pools taking into account soil structure effects. It is based on quality driven primary stabilisation mechanism (recalcitrance of SOM) and process driven secondary stabilisation mechanism (place of turnover) of SOM in soil. In addition to the division of SOM in the qualitative pools on the basis of chemical measurability, a dependence of the turnover conditions from the location of SOM in pore space is implemented taking into account different turnover conditions in the particular pore space and the accessibility for microbial biomass. The main assumption of the CIPS model is that the biological activity is not evenly distributed through the whole pore space. The pore space classes - micro, meso and macro pores - used in the model are marked by wilting point, field capacity and pore volume as a first approach. Because of the poor aeration in the micro pores they show very low biological activity leading to a strong protection of the carbon localized in this pore space. The biological active time (BAT) concept of the CANDY model was adapted to the CIPS model in order to calculate the distribution of biological activity for each pore space class. The reduction functions of the turnover active time concept of CANDY model, related to soil temperature, soil moisture, soil texture, relative air volume and distance to the soil surface are multiplied by the step width of calendar time producing the transformed time step as total BAT (BATtot). The calculated BATtot corresponds to the time that would be required under optimal conditions in the laboratory to perform the same turnover result as under the given

  19. 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.

  20. Carbon fiber dispersion models used for risk analysis calculations

    NASA Technical Reports Server (NTRS)

    1979-01-01

    For evaluating the downwind, ground level exposure contours from carbon fiber dispersion, two fiber release scenarios were chosen. The first is the fire and explosion release in which all of the fibers are released instantaneously. This model applies to accident scenarios where an explosion follows a short-duration fire in the aftermath of the accident. The second is the plume release scenario in which the total mass of fibers is released into the fire plume. This model applies to aircraft accidents where only a fire results. These models are described in detail.

  1. 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.

  2. 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

  3. Model of cathode reaction resistance in molten carbonate fuel cells

    SciTech Connect

    Morita, H.; Mugikura, Y.; Izaki, Y.; Watanabe, T.; Abe, T.

    1998-05-01

    A model of the performance of a molten carbonate fuel cell (MCFC) is required to estimate the efficiency of an MCFC power plant or to simulate the internal state of a stack. The model should provide an accurate representation of the performance under various operating conditions. However, the performance estimated by previous models has been found to deviate from the measured performance under low oxygen and carbon dioxide cathode partial pressures. To solve this problem, the authors carried out a systematic analysis of the performance of several bench-scale cells operated under various cathode gas conditions and investigated a model of cathode polarization according to the oxygen reduction mechanism in molten carbonate. As a result, it has been clarified that the behavior of cathode polarization under various conditions is described well by the dependence of mixed diffusion of superoxide ion O{sub 2}{sup {minus}} and CO{sub 2} in the melt on the assumed partial pressures at each total operating pressure.

  4. Probabilistic predictive modelling of carbon nanocomposites for medical implants design.

    PubMed

    Chua, Matthew; Chui, Chee-Kong

    2015-04-01

    Modelling of the mechanical properties of carbon nanocomposites based on input variables like percentage weight of Carbon Nanotubes (CNT) inclusions is important for the design of medical implants and other structural scaffolds. Current constitutive models for the mechanical properties of nanocomposites may not predict well due to differences in conditions, fabrication techniques and inconsistencies in reagents properties used across industries and laboratories. Furthermore, the mechanical properties of the designed products are not deterministic, but exist as a probabilistic range. A predictive model based on a modified probabilistic surface response algorithm is proposed in this paper to address this issue. Tensile testing of three groups of different CNT weight fractions of carbon nanocomposite samples displays scattered stress-strain curves, with the instantaneous stresses assumed to vary according to a normal distribution at a specific strain. From the probabilistic density function of the experimental data, a two factors Central Composite Design (CCD) experimental matrix based on strain and CNT weight fraction input with their corresponding stress distribution was established. Monte Carlo simulation was carried out on this design matrix to generate a predictive probabilistic polynomial equation. The equation and method was subsequently validated with more tensile experiments and Finite Element (FE) studies. The method was subsequently demonstrated in the design of an artificial tracheal implant. Our algorithm provides an effective way to accurately model the mechanical properties in implants of various compositions based on experimental data of samples. PMID:25658876

  5. Models of Ion Solvation Thermodynamics in Ethylene Carbonate and Propylene Carbonate.

    PubMed

    Arslanargin, Ayse; Powers, August; Beck, Thomas L; Rick, Steven W

    2016-03-01

    Ethylene carbonate (EC) and propylene carbonate (PC) are organic solvents used extensively in energy storage applications such as lithium-ion batteries and supercapacitors. Using statistical mechanical theory and computer simulations, this paper compares and contrasts the thermodynamics of ion solvation in EC and PC with the behavior observed in water. The EC and PC solvents are modeled with the AMBER (GAFF) force field. Ion-solvent interactions are treated with two point-charge models: one using an existing Lennard-Jones ion parameter set optimized for solvation in water, and the other based on high-level quantum calculations on ion-solvent dimers and fitting to a Buckingham-type potential form. The second model produces a coordination number for the Li(+) ion in closer agreement with experiment. Neither model yields consistently accurate solvation thermodynamic quantities (free energies, enthalpies, and entropies), however. The simulations and thermodynamic analysis illustrate key physical aspects of the solvation; the studies also point to necessary modifications of these simple models. In particular, the calculations show that polarization and associated dispersion forces are important and that well-optimized polarizable or quantum models are likely required to accurately reproduce condensed-phase properties of ions in these technologically important solvents. PMID:26292974

  6. Anisotropic rock physics models for interpreting pore structures in carbonate reservoirs

    NASA Astrophysics Data System (ADS)

    Li, Sheng-Jie; Shao, Yu; Chen, Xu-Qiang

    2016-03-01

    We developed an anisotropic effective theoretical model for modeling the elastic behavior of anisotropic carbonate reservoirs by combining the anisotropic self-consistent approximation and differential effective medium models. By analyzing the measured data from carbonate samples in the TL area, a carbonate pore-structure model for estimating the elastic parameters of carbonate rocks is proposed, which is a prerequisite in the analysis of carbonate reservoirs. A workflow for determining elastic properties of carbonate reservoirs is established in terms of the anisotropic effective theoretical model and the pore-structure model. We performed numerical experiments and compared the theoretical prediction and measured data. The result of the comparison suggests that the proposed anisotropic effective theoretical model can account for the relation between velocity and porosity in carbonate reservoirs. The model forms the basis for developing new tools for predicting and evaluating the properties of carbonate reservoirs.

  7. 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.

  8. New flow model for the triple media carbonate reservoir

    NASA Astrophysics Data System (ADS)

    Nie, Renshi; Meng, Yingfeng; Yang, Zhaozhong; Guo, Jianchun; Jia, Yonglu

    2011-02-01

    A new flow model in triple media carbonate reservoir is established. There exists a triple total system including the matrix, fracture and vug subsystem, and the three subsystems are relatively independent in physical properties; in the process of oil flow, the inter-porosity flow of the vug subsystem to fracture subsystem would occur and the inter-porosity flow of the matrix subsystem to fracture subsystem would also occur and ignore the inter-porosity flow between the matrix subsystem and vug subsystem. Compared with the traditional model (the inter-porosity flow of vug to fracture is pseudo-steady), the new model considers the unsteady inter-porosity flow, based on the hypothesis that the shape of vug is spherical. The new model is illustrated and solved, and the standard type curves are drawn up, so the process and characteristics of flow are analysed thoroughly, and it is found that the new-style type curves in shape and characteristics are evidently different from the type curves of traditional model. The research would not only deepen the understanding of flow law but also enrich the theoretical models for carbonate reservoir. The research results on this new model could be applied to a real case study.

  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. 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.

    2014-11-01

    Carbon isotopes in the ocean are frequently used as paleo climate 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 dataset, 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 less 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 a too sluggish ventilation of the deep Pacific Ocean.

  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 PAGESBeta

    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 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. 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.

  16. Ab initio thermodynamic model for magnesium carbonates and hydrates.

    PubMed

    Chaka, Anne M; Felmy, Andrew R

    2014-09-01

    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. PMID:24679248

  17. 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.

  18. 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

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

    PubMed

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

    2016-01-01

    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

  20. 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)

  1. 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.

  2. 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)

  3. Optimization of the deflagration to detonation transition: reduction of length and time of transition

    NASA Astrophysics Data System (ADS)

    Sorin, R.; Zitoun, R.; Desbordes, D.

    2006-06-01

    The aim of this experimental investigation is the study of Deflagration to Detonation Transition (DDT) in tubes in order to (i) reduce both run-up distance and time of transition ( L DDT and t DDT) in connection with Pulsed Detonation Engine applications and to (ii) attempt to scale L DDT with λCJ (the detonation cellular structure width). In DDT, the production of turbulence during the long flame run-up can lead to L DDT values of several meters. To shorten L DDT, an experimental set-up is designed to quickly induce highly turbulent initial flow. It consists of a double chamber terminated with a perforated plate of high Blockage Ratio (BR) positioned at the beginning of a 26 mm inner diameter tube containing a “Shchelkin spiral” of BR ≈ 0.5. The study involves stoichiometric reactive mixtures of H2, CH4, C3H8, and C2H4 with oxygen and diluted with N2 in order to obtain the same cell width λCJ≈10 mm at standard conditions. The results show that a shock-flame system propagating with nearly the isobaric speed of sound of combustion products, called the choking regime, is rapidly obtained. This experimental set-up allows a L DDT below 40 cm for the mixtures used and a ratio L DDT/λCJ ranging from 23 to 37. The transition distance seems to depend on the reduced activation energy ( E a/ RT c) and on the normalized heat of reaction ( Q/ a 0 2). The higher these quantities are, the shorter the ratio L DDT/λCJ is.

  4. 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].

  5. Including Microbial Acclimation in Carbon Cycle Models: Letting Data Guide Model Development (Invited)

    NASA Astrophysics Data System (ADS)

    Mayes, M. A.; Wang, G.; Tang, G.; Xu, X.; Jagadamma, S.

    2013-12-01

    Carbon cycle models are traditionally parameterized with ad hoc soil pools, empirical decay constants and first-order decomposition as a function of substrate supply. Decomposition of vegetative and faunal inputs, however, involves enzymatically-facilitated depolymerization by the microbial community. Traditional soil models are calibrated to match existing distribution of soil carbon, but they are not parameterized to predict the response of soil carbon to climate change due to microbial community shifts or physiological changes, i.e., acclimation. As an example, we will show how the temperature sensitivity of carbon use efficiency can influence the decomposition of different substrates and affect the release of CO2 from soil organic matter. Acclimation to warmer conditions could also involve shifts in microbial community composition or function, e.g., fungi: bacteria ratio shift. Experimental data is needed to decide how to parameterize models to accommodate functional or compositional changes. We will explore documented cases of microbial acclimation to warming, discuss methods to include microbial acclimation in carbon cycle models, and explore the need for additional experimental data to validate the next generation of microbially-facilitated carbon cycle models.

  6. 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. PMID:18312538

  7. Impact of parameter uncertainty on carbon sequestration modeling

    NASA Astrophysics Data System (ADS)

    Bandilla, K.; Celia, M. A.

    2013-12-01

    Geologic carbon sequestration through injection of supercritical carbon dioxide (CO2) into the subsurface is one option to reduce anthropogenic CO¬2 emissions. Widespread industrial-scale deployment, on the order of giga-tonnes of CO2 injected per year, will be necessary for carbon sequestration to make a significant contribution to solving the CO2 problem. Deep saline formations are suitable targets for CO2 sequestration due to their large storage capacity, high injectivity, and favorable pressure and temperature regimes. Due to the large areal extent of saline formations, and the need to inject very large amounts of CO2, multiple sequestration operations are likely to be developed in the same formation. The injection-induced migration of both CO2 and resident formation fluids (brine) needs to be predicted to determine the feasibility of industrial-scale deployment of carbon sequestration. Due to the larger spatial scale of the domain, many of the modeling parameters (e.g., permeability) will be highly uncertain. In this presentation we discuss a sensitivity analysis of both pressure response and CO2 plume migration to variations of model parameters such as permeability, compressibility and temperature. The impact of uncertainty in the stratigraphic succession is also explored. The sensitivity analysis is conducted using a numerical vertically-integrated modeling approach. The Illinois Basin, USA is selected as the test site for this study, due to its large storage capacity and large number of stationary CO2 sources. As there is currently only one active CO2 injection operation in the Illinois Basin, a hypothetical injection scenario is used, where CO2 is injected at the locations of large CO2 emitters related to electricity generation, ethanol production and hydrocarbon refinement. The Area of Review (AoR) is chosen as the comparison metric, as it includes both the CO2 plume size and pressure response.

  8. 3D modeling of carbonates petro-acoustic heterogeneities

    NASA Astrophysics Data System (ADS)

    Baden, Dawin; Guglielmi, Yves; Saracco, Ginette; Marié, Lionel; Viseur, Sophie

    2015-04-01

    Characterizing carbonate reservoirs heterogeneity is a challenging issue for Oil & Gas Industry, CO2 sequestration and all kinds of fluid manipulations in natural reservoirs, due to the significant impact of heterogeneities on fluid flow and storage within the reservoir. Although large scale (> meter) heterogeneities such as layers petrophysical contrasts are well addressed by computing facies-based models, low scale (< meter) heterogeneities are often poorly constrained because of the complexity in predicting their spatial arrangement. In this study, we conducted petro-acoustic measurements on cores of different size and diameter (Ø = 1", 1.5" and 5") in order to evaluate anisotropy or heterogeneity in carbonates at different laboratory scales. Different types of heterogeneities which generally occur in carbonate reservoir units (e.g. petrographic, diagenetic, and tectonic related) were sampled. Dry / wet samples were investigated with different ultrasonic apparatus and using different sensors allowing acoustic characterization through a bandwidth varying from 50 to 500 kHz. Comprehensive measurements realized on each samples allowed statistical analyses of petro-acoustic properties such as attenuation, shear and longitudinal wave velocity. The cores properties (geological and acoustic facies) were modeled in 3D using photogrammetry and GOCAD geo-modeler. This method successfully allowed detecting and imaging in three dimensions differential diagenesis effects characterized by the occurrence of decimeter-scale diagenetic horizons in samples assumed to be homogeneous and/or different diagenetic sequences between shells filling and the packing matrix. We then discuss how small interfaces such as cracks, stylolithes and laminations which are also imaged may have guided these differential effects, considering that understanding the processes may be taken as an analogue to actual fluid drainage complexity in deep carbonate reservoir.

  9. 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.

  10. 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

    2015-12-01

    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. PMID:26564396

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. Modeling Environmental Controls on the Carbon Isotope Composition of Ecosystem Respired Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Cai, T.; Flanagan, L. B.

    2006-12-01

    Our main objective was to test whether the carbon isotope composition of ecosystem respired CO2 varied in response to environmental conditions in a manner consistent with well-known leaf-level studies of photosynthetic 13C discrimination. We developed an ecosystem-scale model that calculated leaf CO2 assimilation, stomatal conductance and chloroplast CO2 concentration separately for sunlit and shaded leaves within multiple canopy layers. The stomatal conductance model was linked to differences in water potential and resistances in the hydraulic pathway between the soil and the tree foliage. This part of the ecosystem model was validated by comparison to leaf-level gas exchange measurements and estimates of ecosystem-scale photosynthesis (GEP). The estimates of GEP were based on eddy covariance measurements of net ecosystem CO2 exchange (NEE) and the Fluxnet-Canada Research Network standard protocol for partitioning NEE into GEP and total ecosystem respiration (TER). The carbon isotope composition of carbohydrate formed during photosynthesis was calculated based on the Farquhar model of isotope effects. Total ecosystem respiration was modeled, based on measured temperature and soil moisture, as the sum of four components (1) above-ground plant, (2) root, (3) litter, and (4) mineral soil. We applied a variety of techniques to allocate the contribution of these different components so that modeled TER was consistent with TER calculated from NEE measurements. The carbon isotope composition of CO2 released during above-ground plant and root respiration was calculated based on an assimilated-weighted average of carbohydrate fixed during a variable number of days previous to the day of respiration. The isotope composition of CO2 released by litter and mineral soil respiration was based on measurements of the δ13C values of these components (we assumed no isotope fractionation during respiration) and held constant in all calculations. The model was compared to

  19. 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

  20. The unusual carbon star HD 59643 - Alternative models

    NASA Technical Reports Server (NTRS)

    Johnson, H. R.; Eaton, J. A.; Querci, F. R.; Querci, M.; Baumert, J. H.

    1988-01-01

    A binary model for the carbon star HD 59643 is discussed in which the secondary spectrum is formed in an accretion disk. If this hot, ultraviolet-emitting disk radiates like a 20,000 K black-body, it must be 0.03 solar radii or less across at minimum emission. Large widths of C IV multiplet UV1 on high-resolution spectra indicate its formation in the inner parts of a disk. The semiforbidden C III and Si III lines, however, are much narrower and could be formed in the outer parts of a disk or in the carbon star's chromosphere. The electron density in the region of formation of C III is about 10 to the 10th/cu cm.

  1. 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

  2. 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.

  3. 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.

  4. Kinetic model of carbonate dissolution in Martian meteorite ALH84001

    NASA Astrophysics Data System (ADS)

    Kopp, R. E.; Humayun, M.

    2003-09-01

    The magnetites and sulfides located in the rims of carbonate globules in the Martian meteorite ALH84001 have been claimed as evidence of past life on Mars. Here, we consider the possibility that the rims were formed by dissolution and reprecipitation of the primary carbonate by the action of water. To estimate the rate of these solution-precipitation reactions, a kinetic model of magnesite-siderite carbonate dissolution was applied and used to examine the physicochemical conditions under which these rims might have formed. The results indicate that the formation of the rims could have taken place in < 50 yr of exposure to small amounts of aqueous fluids at ambient temperatures. Plausible conditions pertaining to reactions under a hypothetical ancient Martian atmosphere (1 bar CO 2), the modern Martian atmosphere (8 mbar CO 2), and the present terrestrial atmosphere (0.35 mbar CO 2) were explored to constrain the site of the process. The results indicated that such reactions likely occurred under the latter two conditions. The possibility of Antarctic weathering must be entertained, which, if correct, would imply that the plausibly biogenic minerals (single-domain magnetite of characteristic morphology and sulfide) reported from the rims may be the products of terrestrial microbial activity. This model is discussed in terms of the available isotope data and found to be compatible with the formation of ALH84001 rims. Particularly, anticorrelated variations of radiocarbon with δ 13C indicate that carbonate in ALH84001 was affected by solution-precipitation reactions immediately after its initial fall (˜13,000 yr ago) and then again during its recent exposure prior to collection.

  5. 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

  6. Atomistic picture of the shock to deflagration transition in a solid explosive: ultra-fast chemistry under non-equilibrium

    NASA Astrophysics Data System (ADS)

    Wood, Mitchell; Cherukara, Mathew; Kober, Edward; Strachan, Alejandro

    2015-03-01

    We use large-scale molecular dynamics (MD) simulations to describe the chemical reactions following the shock-induced collapse of cylindrical pores in the high-energy density material RDX. For shocks with particle velocities of 2km/s, we find that the collapse of a 40 nm diameter pore leads to a deflagration wave, resulting in the first atomic-level description of this process. Pore collapse leads to ultra-fast, multi-step chemical reactions that occur under non-equilibrium conditions. The formation of exothermic product molecules within a few picoseconds of the pore collapse prevents the nanoscale hot spot from quenching. Within 30 ps, a local deflagration wave develops which propagates at speeds of ~ 0.25 km/s and consists of an ultra-thin reaction zone of only ~ 5 nm, thus involving large temperature and composition gradients. These results provide insight into the initiation of detonation, which is critical to understanding the performance and safety of this class of materials.

  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. PMID:25662534

  8. 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

  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. 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.

  11. The Distribution of Carbon Monoxide in the GOCART Model

    NASA Technical Reports Server (NTRS)

    Fan, Xiaobiao; Chin, Mian; Einaudi, Franco (Technical Monitor)

    2000-01-01

    Carbon monoxide (CO) is an important trace gas because it is a significant source of tropospheric Ozone (O3) as well as a major sink for atmospheric hydroxyl radical (OH). The distribution of CO is set by a balance between the emissions, transport, and chemical processes in the atmosphere. The Georgia Tech/Goddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model is used to simulate the atmospheric distribution of CO. The GOCART model is driven by the assimilated meteorological data from the Goddard Earth Observing System Data Assimilation System (GEOS DAS) in an off-line mode. We study the distribution of CO on three time scales: (1) day to day fluctuation produced by the synoptic waves; (2) seasonal changes due to the annual cycle of CO sources and sinks; and (3) interannual variability induced by dynamics. Comparison of model results with ground based and remote sensing measurements will also be presented.

  12. Field and computer modeling studies of Appalachian cyclic carbonates

    SciTech Connect

    Read, J.F.

    1988-01-01

    Cyclic carbonates in the Cambrian of the Appalachians have been studied using field data integrated with computer modeling studies. The models incorporate 1 to 3-m.y. and 20,000 to 100,000-year low-amplitude sea level fluctuations, water depth-dependent sedimentation rates, lag time, and subsidence. The 1 to 3-m.y. sea level fluctuations are defined by Fischer plots, which are readily compared to the model output. Cycles decrease in number toward regional highs, because lower subsidence rates only allow 40 to 60% of the Milankovitch sea level fluctuations to affect the highs and highs subside lower than third-order sea levels fall, which truncate 50% of cycles. Furthermore, 2 cycles/100,000 years are deposited on the outer shelf, compared to 1 to 1.4 cycles/100,000 years on inner shelf highs. Consequently, cycles have longer average periods toward the highs.

  13. 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.

  14. 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

  15. Modeling of Branched (L, T and Y) Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Han, Jie; Jaffe, Richard; Saini, Subhash (Technical Monitor)

    1998-01-01

    Models for connecting two or three carbon nanotubes (CNT) using topological defects (i.e., pentagons and heptagons) are presented for the characterization of experimentally observed L, T and Y CNT junctions. The effects of the separation and orientation of the topological defects on the structures and energetics of these junctions are investigated using the nonlocal density function theory (DFT) and semi-empirical molecular orbital (AM1) calculations, and the Brenner empirical potential molecular mechanics simulations. The potential applications of L, Y and T CNT junctions in nanoelectronic devices are also discussed.

  16. Characterization and adsorption modeling of silicon carbide-derived carbons.

    PubMed

    Nguyen, T X; Bae, J-S; Bhatia, S K

    2009-02-17

    We present characterization results of silicon carbide-derived carbons (Si-CDCs) prepared from both nano- and micron-sized betaSiC particles by oxidation in pure chlorine atmosphere at various synthesis temperatures (600-1000 degrees C). Subsequently, the adsorption modeling study of simple gases (CH4 and CO2) in these Si-CDC samples for a wide range of pressures and temperatures using our Finite Wall Thickness model [Nguyen, T. X.; Bhatia, S. K. Langmuir 2004, 20, 3532] was also carried out. In general, characterization results showed that the core of Si-CDC particles contains predominantly amorphous material while minor graphitization was also observed on the surface of these particles for all the investigated synthesis temperatures (600-1000 degrees C). Furthermore, postsynthetic heat treatment at 1000 degrees C for 3 days, as well as particle size of precursor (betaSiC) were shown to have slight impact on the graphitization. In spite of the highly disordered nature of Si-CDC samples, the adsorption modeling results revealed that the Finite Wall Thickness model provides reasonably good prediction of experimental adsorption data of CO2 and CH4 in all the investigated Si-CDC samples at the temperatures of 273 K, 313 K, and 333 K for a wide range of pressure up to 200 bar. Furthermore, the impact of the difference in molecular size and geometry between analysis and probing gases on the prediction of the experimental adsorption isotherm in a disordered carbon using the slit-pore model is also found. Finally, the correlation between compressibility of the Si-CDC samples under high pressure adsorption and their synthesis temperature was deduced from the adsorption modeling. PMID:19123908

  17. 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.

  18. 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

  19. 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.

  20. 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

  1. An atomistic-continuum Cosserat rod model of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Chandraseker, Karthick; Mukherjee, Subrata; Paci, Jeffrey T.; Schatz, George C.

    2009-06-01

    The focus of the present work is an atomistic-continuum model of single-walled carbon nanotubes (CNTs) based on an elastic rod theory which can exhibit geometric as well as material nonlinearity [Healey, T.J., 2002. Material symmetry and chirality in nonlinearly elastic rods. Mathematics and Mechanics of Solids 7, 405-420]. In particular, the single-walled carbon nanotube (SWNT) is modeled as a one-dimensional elastic continuum with some finite thickness bounded by the lateral surface. Exploitation of certain symmetries in the underlying atomic structure leads to suitable representations of the continuum elastic strain energy density in terms of strain measures that capture extension, twist, bending, and shear deformations [Healey, T.J., 2002. Material symmetry and chirality in nonlinearly elastic rods. Mathematics and Mechanics of Solids 7, 405-420]. Bridging between the atomic scale and the effective continuum is carried out by parameterization of the continuum elastic energy and determination of the parameters using unit cell atomistic simulations over a range of deformation magnitudes and types. Specifically, the proposed model takes into account (a) bending, (b) twist, (c) shear, (d) extension, (e) coupled extension and twist, and (f) coupled bending and shear deformations. The extracted parameters reveal benefits of accounting for important anisotropic and large-strain effects as improvements over employing traditional, linearly elastic, isotropic, small-strain, continuum models to simulate deformations of atomic systems such as SWNTs. It is envisioned that the proposed approach and the extracted model parameters can serve as a useful input to simulations of SWNT deformations using existing nonlinearly elastic continuum codes based, for example, on the finite element method (FEM).

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  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. Numerical models of carbonate hosted gold mineralization, Great Basin Nevada

    NASA Astrophysics Data System (ADS)

    Person, M.; Hofstra, A.; Gao, Y.; Sweetkind, D.; Banerjee, A.

    2006-12-01

    The Great Basin, Nevada contains many modern hydrothermal system and world class gold deposits hosted within Paleozoic carbonate rocks. Temperature profiles, fluid inclusion studies, and isotopic evidence suggest that modern geothermal and fossil hydrothermal systems associated with gold mineralization share many common features including the absence of a clear magmatic source, flow restricted to fault zones, and remarkably high temperatures at shallow depth. While the plumbing of these systems is not well understood, geochemical and isotopic data suggest that fluid circulation along fault zones is relatively deep (greater than 5 km) and comprised of relatively unexchanged Pleistocene meteoric water with small (less than 2.5 per mill) shifts from the MWL. Many fossil ore-forming systems were also dominated by meteoric water, but are usually exhibit shifts of 5 to 15 per mill from the MWL. Here we present two-dimensional numerical models to reconstruct the plumbing of modern geothermal and Tertiary hydrothermal systems in the Great Basin. Multiple tracers are used in our models, including O- and C-isotopic compositions of fluids/rocks, silica transport/ precipitation, and temperature anomalies, to constrain the plumbing of these systems. Our results suggest that both fossil hydrothermal and modern geothermal systems were probably driven by natural convection cells associated with localized high basal heating. We conclude that the fault controlled flow systems responsible for the genesis of Carlin gold mineralization and modern geothermal systems had to be transient in nature. Permeability changes within the carbonate reservoir was probably associated with extensional tectonic events.

  9. 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

  10. Implications of model bias in carbon monoxide for methane lifetime

    NASA Astrophysics Data System (ADS)

    Strode, S. A.; Duncan, B. N.; Yegorova, E. A.; Kouatchou, J.; Ziemke, J. R.; Douglass, A. R.

    2015-07-01

    A low bias in carbon monoxide (CO) at high northern latitudes is a common feature of chemistry climate models (CCMs) that may indicate or contribute to a high bias in simulated OH and corresponding low bias in methane lifetime. We use simulations with CO tagged by source type to investigate the sensitivity of the CO bias to CO emissions, global mean OH, and the hemispheric asymmetry of OH. Our results show that reducing the hemispheric asymmetry of OH improves the agreement of simulated CO with observations. We use simulations with parameterized OH to quantify the impact of known model biases on simulated OH. Removing biases in ozone and water vapor as well as reducing Northern Hemisphere NOx does not remove the hemispheric asymmetry in OH, but brings the simulated methyl chloroform lifetime into agreement with observation-based estimates.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Mathematical models of the uptake of carbon monoxide on hemoglobin at low carbon monoxide levels.

    PubMed Central

    Joumard, R; Chiron, M; Vidon, R; Maurin, M; Rouzioux, J M

    1981-01-01

    Coburn's differential equation for the uptake of carbon monoxide by hemoglobin and two particular types of solution of this equation were considered and the solutions verified for a group of healthy adults consisting of 73 nonsmoking pedestrians or car passengers exposed to low levels of carbon monoxide as experienced in the city of Lyon. The CO levels at the breathing level and the walking speed of the subjects was continually measured, and the carboxyhemoglobin levels determined at the beginning and the end of each test journey. The values of all the other relevant parameters were also determined. The half-life of carboxyhemoglobin was studied as a function of the degree of activity, the age, the sex and the height of the subjects. Finally a mathematical model was set up to represent a periodic uptake of CO which made it possible to estimate the variations in the carboxyhemoglobin level for any subject during a period of a day or a week without any need to know the initial level. PMID:7333242

  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. 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

  18. 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.

  19. 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

  20. 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

  1. Simulating the effects of forest managements on carbon sequestration: TREPLEX- Management model development

    NASA Astrophysics Data System (ADS)

    Wang, W.; Peng, C.; Lei, X.; Zhang, T.; Kneeshaw, D.; Larocque, G.

    2009-05-01

    With common concern surrounding the impact of increased atmospheric CO2 on global climate change, the role of forest management (i.e. thinning) on carbon sequestration is growing as a hotspot in the post Kyoto period. However, the combination strategies between forest management and carbon management are less established. Jack pine is one of the most important commercial and reforestation species in lake states of the United States and Canada, and the specie was reported to show stronger response to forest management like thinning. Obviously, there is an urgent need for understanding how harvesting intensity (i.e., thinning) affects C sequestration in jack pine stands. The aim of this study is to quantify and predict the biomass and carbon sequestration in thinned jack pine stands in eastern Canada. TRIPLEX is a generic hybrid model for predicting forest growth and carbon and nitrogen dynamics. The TRIPLEX-Management concept model was developed. The following carbon components were considered: above ground live biomass carbon, standing dead biomass carbon, harvested wood product carbon and soil organic carbon. Thinning was linked with LAI (Leaf Area Index), stand density and soil conditions and included in NPP and biomass production and allocation models. The model was also integrated with DBH distribution models, biomass allometric models, and wood products C models as well as the established height-diameter models. It is expected to optimize thinning regimes for carbon and forest management in order to mitigate climate change impacts.

  2. A carbonate-silicate aqueous geochemical cycle model for Mars

    NASA Astrophysics Data System (ADS)

    Schaefer, M. W.; Leidecker, H.

    1992-12-01

    A model for the carbonate-silicate geochemical cycle of an early, wet Mars is under development. The results of this study will be used to constrain models of the geochemical history of Mars and the likely mineralogy of its present surface. Although Mars today is a cold, dry planet, it may once have been much warmer and wetter. Values of total outgassed CO2 from several to about 10 bars are consistent with present knowledge (Pollack et al. 1987), and this amount of CO2 implies an amount of water outgassed at least equal to an equivalent depth of 500-1000 meters (Carr 1986). Pollack et al. (1987), in addition, estimate that a thick CO2 atmosphere may have existed for an extended period of time, perhaps as long as a billion years. The greenhouse effect of such an atmosphere would permit the presence of liquid water on the surface, most likely in the form of a shallow sea in the lowest regions of the planet, such as the northern plains (Schaefer 1990). The treatment of geochemical cycles as complex kinetic chemical reactions has been undertaken for terrestrial systems in recent years with much success (Lasaga 1980, 1981; Berner et al. 1983; Lasaga et al. 1985). Although the Martian system is vastly less well understood, and hence less well-constrained, it is also a much simpler system, due to the lack of biogenic reactions that make the terrestrial system so complex. It should be possible, therefore, to use the same techniques to model the Martian system as have been used for terrestrial systems, and to produce useful results. A diagram of the carbonate-silicate cycle for Mars (simplified from the terrestrial system) is given.

  3. Multi-Sensor Model-Data Assimilation for Improved Modeling of Savanna Carbon and Water Budgets

    NASA Astrophysics Data System (ADS)

    Barrett, D. J.; Renzullo, L. J.; Guerschman, J.; Hill, M. J.

    2007-12-01

    Model-data assimilation methods are increasingly being used to improve model predictions of carbon pools and fluxes, soil profile moisture contents, and evapotranspiration at catchment to regional scales. In this talk, I will discuss the development of model-data assimilation methods for application to parameter and state estimation problems in the context of savanna carbon and water cycles. A particular focus of this talk will be on the integration of in situ datasets and multiple types of satellite observations with radiative transfer, surface energy balance, and carbon budget models. An example will be drawn from existing work demonstrating regional estimation of soil profile moisture content based on multiple satellite sensors. The data assimilation scheme comprised a forward model, observation operators, multiple observation datasets and an optimization scheme. The forward model propagates model state variables in time based on climate forcing, initial conditions and model parameters and includes processes governing evapotranspiration, water budget and carbon cycle processes. The observation operators calculate modeled land surface temperature and microwave brightness temperatures based on the state variables of profile soil moisture and soil surface layer soil moisture at less than 2.5 cm depth. Satellite observations used in the assimilation scheme are surface brightness temperatures from AMSR-E (passive microwave at 6.9GHz at horizontal polarization) and from AVHRR (thermal channels 4 & 5 from NOAA-18), and land surface reflectances from MODIS Terra (channels 1 and 2 at 250m resolution). These three satellite sensors overpass at approximately the same time of day and provide independent observations of the land surface at different wavelengths. The observed brightness temperatures are used as constraints on the coupled energy balance/microwave radiative transfer model, and a canopy optical model was inverted to retrieve leaf area indices from observed

  4. 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

  5. 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

  6. Evaluation and Improvement of Global Carbon Cycle Models against Soil Carbon and Microbial Data Sets Using a Bayesian MCMC method

    NASA Astrophysics Data System (ADS)

    Hararuk, Oleksandra; Luo, Yiqi

    2015-04-01

    Long-term land carbon-cycle feedback to climate change is largely determined by dynamics of soil organic carbon (SOC). However, most evaluation studies conducted so far indicate that global land models predict SOC poorly. We have developed new techniques to evaluate and improve global carbon cycle models against global datavases of soil carbon stock and microbial biomass carbon. We have evaluated and improved one conventional model and two microbial models. We evaluated predictions of SOC by the Community Land Model with Carnegie-Ames-Stanford Approach biogeochemistry module (CLM-CASA'), investigated underlying causes of mismatches between model predictions and observations, and calibrated model parameters to improve the prediction of SOC. We compared modeled SOC to observed soil C pools provided by IGBP-DIS globally gridded data product and found that CLM-CASA' on average underestimated SOC pools by 65% (r²=0.28). We applied data assimilation to CLM-CASA' to estimate SOC residence times and C partitioning coefficients among the pools, as well as temperature sensitivity of C decomposition. The model with calibrated parameters explained 41% of the global variability in the observed SOC, which was substantial improvement from the initial 27%. The projections differed between models with original and calibrated parameters: over 96 years the calibrated model released 48 Pg C from soil pools and 6.5 Pg C from litter pools less than the original model. Thus, assimilating observed soil carbon data into the model improved fitness between modeled and observed SOC, and reduced the amount of C released under changing climate. We have constrained parameters of two soil microbial models; evaluated the improvements in performance of those calibrated models in predicting contemporary carbon stocks; and compared the SOC responses to climate change and their uncertainties between microbial and conventional models. Microbial models with calibrated parameters explained 51% of

  7. 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.

  8. 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.

  9. Are soil carbon models transferable across distinct regions or scales in Florida?

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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 ...

  10. 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.

  11. Modeling Composites of Multi-Walled Carbon Nanotubes in Polycarbonate

    NASA Astrophysics Data System (ADS)

    Jindal, Prashant; Goyal, Meenakshi; Kumar, Navin

    2013-10-01

    High strain rate experiments performed on multi-walled carbon nanotubes, polycarbonate composites (MWCNT-PC) have exhibited enhanced impact resistance under a dynamic strain rate of nearly 2500/s with composition of only 0.5 to 2.0% multi-walled carbon nanotubes (MWCNTs) in pure polycarbonate (PC). Similarly, hardness and elastic modulus under static loads resulted in a significant increase, depending upon the composition of MWCNTs in PC. The present work aims to analyze these results by correlating the data to fit expressions in generalizing the behavior of MWCNTs composition for MWCNT-PC composites under both static and impact loads. As a result, we found that an optimum composition of 2.1 weight % of MWCNTs exhibits maximum stress resistance within elastic range under strain rates of nearly 2500/s for MWCNT-PC composites. The composition of MWCNTs plays a crucial role in maximizing modification of static and dynamic impact-based mechanical properties of polycarbonates. Further, a simple model based on Lennard-Jones 6-12 atom-atom based potential is formulated and used to compute preliminary estimates of static properties of pure as well as composite PC with the aim to modify this in subsequent approaches.

  12. 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.

  13. Field and computer modeling studies of Appalachian cyclic carbonates

    SciTech Connect

    Read, J.F.

    1988-02-01

    Cyclic carbonates in the Cambrian of the Appalachians have been studied using field data integrated with computer modeling studies. The models incorporate 1 to 3-m.y. and 20,000 to 100,000-year low-amplitude sea level fluctuations, water depth-dependent sedimentation rates, lag time, and subsidence. The 1 to 3-m.y. sea level fluctuations are defined by Fischer plots, which are readily compared to the model output. Cycles decrease in number toward regional highs, because (1) lower subsidence rates only allow 40 to 60% of the Milankovitch sea level fluctuations to affect the highs and (2) highs subside lower than third-order sea levels fall, which truncate 50% of cycles. Furthermore, 2 cycles/100,000 years are deposited on the outer shelf, compared to 1 to 1.4 cycles/100,000 years on inner shelf highs. Consequently cycles have longer average periods toward the highs. Furthermore, average thickness shows only a slight decrease landward, even though formation thicknesses may be halved. The field data and modeling constrain amplitudes of 1 to 3-m.y. sea level changes because significant unconformities are absent from the shelf sequence, indicating third-order sea levels fell slower than subsidence rates, thus were considerably less than 50 m.

  14. 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

  15. Carbon and nitrogen dynamics in a soil profile: Model development

    NASA Astrophysics Data System (ADS)

    Batlle-Aguilar, Jordi; Brovelli, Alessandro; Barry, D. Andrew

    2010-05-01

    In order to meet demands for crops, pasture and firewood, the rate of land use change from forested to agricultural uses has steadily increased over several decades, resulting in an increased release of nutrients towards groundwater and surface water bodies. In parallel, the degradation of riparian zones has diminished their capacity to provide critical ecosystem functions, such as the ability to control and buffer nutrient cycles. In recent years, however, the key environmental importance of natural, healthy ecosystems has been progressively recognized and restoration of degraded lands towards their former natural state has become an area of active research worldwide. Land use changes and restoration practices are known to affect both soil nutrient dynamics and their transport to neighbouring areas. To this end, in order to interpret field experiments and elucidate the different mechanisms taking place, numerical tools are beneficial. Microbiological transformations of the soil organic matter, including decomposition and nutrient turnover are controlled to a large extent by soil water content, influenced in turn by climatic and environmental conditions such as precipitation and evapotranspiration. The work presented here is part of the Swiss RECORD project (http://www.cces.ethz.ch/projects/nature/Record), a large collaborative research effort undertaken to monitor the changes in ecosystem functioning in riparian areas undergoing restoration. In this context we have developed a numerical model to simulate carbon and nitrogen transport and turnover in a one-dimensional variably saturated soil profile. The model is based on the zero-dimensional mechanistic batch model of Porporato et al. (Adv. Water Res., 26: 45-58, 2003), but extends its capabilities to simulate (i) the transport of the mobile components towards deeper horizons, and (ii) the vertical evolution of the profile and the subsequent distribution of the organic matter. The soil is divided in four

  16. 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

  17. 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

  18. 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

  19. Modeling cellular compartmentation in one-carbon metabolism

    PubMed Central

    Scotti, Marco; Stella, Lorenzo; Shearer, Emily J.; Stover, Patrick J.

    2015-01-01

    Folate-mediated one-carbon metabolism (FOCM) is associated with risk for numerous pathological states including birth defects, cancers, and chronic diseases. Although the enzymes that constitute the biological pathways have been well described and their interdependency through the shared use of folate cofactors appreciated, the biological mechanisms underlying disease etiologies remain elusive. The FOCM network is highly sensitive to nutritional status of several B-vitamins and numerous penetrant gene variants that alter network outputs, but current computational approaches do not fully capture the dynamics and stochastic noise of the system. Combining the stochastic approach with a rule-based representation will help model the intrinsic noise displayed by FOCM, address the limited flexibility of standard simulation methods for coarse-graining the FOCM-associated biochemical processes, and manage the combinatorial complexity emerging from reactions within FOCM that would otherwise be intractable. PMID:23408533

  20. One-dimensional Hubbard-Luttinger model for carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Ishkhanyan, H. A.; Krainov, V. P.

    2015-06-01

    A Hubbard-Luttinger model is developed for qualitative description of one-dimensional motion of interacting Pi-conductivity-electrons in carbon single-wall nanotubes at low temperatures. The low-lying excitations in one-dimensional electron gas are described in terms of interacting bosons. The Bogolyubov transformation allows one to describe the system as an ensemble of non-interacting quasi-bosons. Operators of Fermi excitations and Green functions of fermions are introduced. The electric current is derived as a function of potential difference on the contact between a nanotube and a normal metal. Deviations from Ohm law produced by electron-electron short-range repulsion as well as by the transverse quantization in single-wall nanotubes are discussed. The results are compared with experimental data.

  1. Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

    NASA Technical Reports Server (NTRS)

    Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

    2010-01-01

    Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

  2. 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

  3. A Hydro-mechanical Model and Analytical Solutions for Geomechanical Modeling of Carbon Dioxide Geological Sequestration

    SciTech Connect

    Xu, Zhijie; Fang, Yilin; Scheibe, Timothy D.; Bonneville, Alain

    2012-05-15

    We present a hydro-mechanical model for geological sequestration of carbon dioxide. The model considers the poroelastic effects by taking into account the coupling between the geomechanical response and the fluid flow in greater detail. The simplified hydro-mechanical model includes the geomechanical part that relies on the linear elasticity, while the fluid flow is based on the Darcy’s law. Two parts were coupled using the standard linear poroelasticity. Analytical solutions for pressure field were obtained for a typical geological sequestration scenario. The model predicts the temporal and spatial variation of pressure field and effects of permeability and elastic modulus of formation on the fluid pressure distribution.

  4. Potential for progress in carbon cycle modeling: models as tools and representations of reality (Invited)

    NASA Astrophysics Data System (ADS)

    Caldeira, K.

    2013-12-01

    Some carbon cycle modelers conceive of themselves as developing a representation of reality that will serve as a general purpose tool that can be used to make a wide variety of predictions. However, models are tools used to solve particular problems. If we were to ask, 'what tool is best for fastening two pieces of wood together,' depending on the circumstances that tool could be hammer, a screw driver, or perhaps some sort of glue gun. And the best kind of screw driver might depend on whether we were thinking about Philips or flat headed screws. If there is no unique answer to the question of which type of tool is best for fastening two pieces of wood together, surely there is no unique answer to the question of which type of model is best for making carbon-cycle predictions. We must first understand what problem we are trying to solve. Some modeling studies try to make the most reliable projections, considering as many processes and predicting as many observables as possible, whereas other modeling studies try to show how general trends depend on relatively few (perhaps highly aggregated) processes. This talk will look at CMIP5 carbon-cycle model results and address the issue of the extent to which the overall global-scale trends projected by these detailed models might projected by models with many fewer degrees of freedom. It should be noted that an ocean carbon-cycle model that predicts many observables at local scale is much more easily falsified (and thus in some sense is more ';scientific') than an ocean model that predicts only global scale phenomena. Nevertheless, if all that is needed is a crude estimate of global ocean CO2 uptake (say, to permit as study of the carbon-cycle on land), a simple representation of the ocean carbon cycle may suffice. This talk will take as its jumping off point two quotes: 'All models are wrong, some are useful.' - George E.P. Box 'Models should be as simple as possible but no simpler.' - Albert Einstein (likely an erroneous

  5. Aboveground biomass and carbon stocks modelling using non-linear regression model

    NASA Astrophysics Data System (ADS)

    Ain Mohd Zaki, Nurul; Abd Latif, Zulkiflee; Nazip Suratman, Mohd; Zainee Zainal, Mohd

    2016-06-01

    Aboveground biomass (AGB) is an important source of uncertainty in the carbon estimation for the tropical forest due to the variation biodiversity of species and the complex structure of tropical rain forest. Nevertheless, the tropical rainforest holds the most extensive forest in the world with the vast diversity of tree with layered canopies. With the usage of optical sensor integrate with empirical models is a common way to assess the AGB. Using the regression, the linkage between remote sensing and a biophysical parameter of the forest may be made. Therefore, this paper exemplifies the accuracy of non-linear regression equation of quadratic function to estimate the AGB and carbon stocks for the tropical lowland Dipterocarp forest of Ayer Hitam forest reserve, Selangor. The main aim of this investigation is to obtain the relationship between biophysical parameter field plots with the remotely-sensed data using nonlinear regression model. The result showed that there is a good relationship between crown projection area (CPA) and carbon stocks (CS) with Pearson Correlation (p < 0.01), the coefficient of correlation (r) is 0.671. The study concluded that the integration of Worldview-3 imagery with the canopy height model (CHM) raster based LiDAR were useful in order to quantify the AGB and carbon stocks for a larger sample area of the lowland Dipterocarp forest.

  6. Modeling Net Ecosystem Carbon Exchange of Alpine Grasslands with a Satellite-Driven Model

    PubMed Central

    Zhao, Yuping; Zhang, Xianzhou; Fan, Yuzhi; Shi, Peili; He, Yongtao; Yu, Guirui; Li, Yingnian

    2015-01-01

    Estimate of net ecosystem carbon exchange (NEE) between the atmosphere and terrestrial ecosystems, the balance of gross primary productivity (GPP) and ecosystem respiration (Reco) has significant importance for studying the regional and global carbon cycles. Using models driven by satellite data and climatic data is a promising approach to estimate NEE at regional scales. For this purpose, we proposed a semi-empirical model to estimate NEE in this study. In our model, the component GPP was estimated with a light response curve of a rectangular hyperbola. The component Reco was estimated with an exponential function of soil temperature. To test the feasibility of applying our model at regional scales, the temporal variations in the model parameters derived from NEE observations in an alpine grassland ecosystem on Tibetan Plateau were investigated. The results indicated that all the inverted parameters exhibit apparent seasonality, which is in accordance with air temperature and canopy phenology. In addition, all the parameters have significant correlations with the remote sensed vegetation indexes or environment temperature. With parameters estimated with these correlations, the model illustrated fair accuracy both in the validation years and at another alpine grassland ecosystem on Tibetan Plateau. Our results also indicated that the model prediction was less accurate in drought years, implying that soil moisture is an important factor affecting the model performance. Incorporating soil water content into the model would be a critical step for the improvement of the model. PMID:25849325

  7. Modelling carbon cycle in boreal wetlands with the Earth System Model ECHAM6/MPIOM

    NASA Astrophysics Data System (ADS)

    Getzieh, Robert J.; Brovkin, Victor; Kleinen, Thomas; Raivonen, Maarit; Sevanto, Sanna

    2010-05-01

    Wetlands of the northern high latitudes provide excellent conditions for peat accumulation and methanogenesis. High moisture and low O2 content in the soils lead to effective preservation of soil organic matter and methane emissions. Boreal Wetlands contain about 450 PgC and currently constitute a significant natural source of methane (CH4) even though they cover only 3% of the global land surface. While storing carbon and removing CO2 from the atmosphere, boreal wetlands have contributed to global cooling on millennial timescales. Undisturbed boreal wetlands are likely to continue functioning as a net carbon sink. On the other hand these carbon pools might be destabilised in future since they are sensitive to climate change. Given that processes of peat accumulation and decay are closely dependent on hydrology and temperature, this balance may be altered significantly in the future. As a result, northern wetlands could have a large impact on carbon cycle-climate feedback mechanisms and therefore play an important role in global carbon cycle dynamics. However global biogeochemistry models used for simulations of CO2 dynamics in past and future climates usually neglect carbon cycle in wetlands. We investigate the potential for positive or negative feedbacks to the climate system through fluxes of greenhouse gases (CO2 and CH4) with the general circulation model ECHAM6/MPIOM. A generic model of peat accumulation and decay has been developed and implemented into the land surface module JSBACH. We consider anaerobic biogeochemical processes which lead to formation of thick organic soils. Furthermore we consider specific wetland plant functional types (PFTs) in our model such as vascular plants (sedges) which impact methane transport and oxidation processes and non vascular plants (sphagnum mosses) which are promoting peat growth. As prototypes we use the modelling approaches by Frolking et al. (2001) as well as Walter & Heimann (2001) for the peat dynamics, and the

  8. Modeling Dissolved Organic Carbon (DOC) Dynamics in Flooded Wetlands

    EPA Science Inventory

    Wetlands play an important role in the global carbon cycle and are recognized for their considerable potential to sequester carbon. Wetlands contain the largest component (18-30%) of the terrestrial carbon pool and are responsible for about a quarter of the global methane emissi...

  9. A Semi-Empirical Two Step Carbon Corrosion Reaction Model in PEM Fuel Cells

    SciTech Connect

    Young, Alan; Colbow, Vesna; Harvey, David; Rogers, Erin; Wessel, Silvia

    2013-01-01

    The cathode CL of a polymer electrolyte membrane fuel cell (PEMFC) was exposed to high potentials, 1.0 to 1.4 V versus a reversible hydrogen electrode (RHE), that are typically encountered during start up/shut down operation. While both platinum dissolution and carbon corrosion occurred, the carbon corrosion effects were isolated and modeled. The presented model separates the carbon corrosion process into two reaction steps; (1) oxidation of the carbon surface to carbon-oxygen groups, and (2) further corrosion of the oxidized surface to carbon dioxide/monoxide. To oxidize and corrode the cathode catalyst carbon support, the CL was subjected to an accelerated stress test cycled the potential from 0.6 VRHE to an upper potential limit (UPL) ranging from 0.9 to 1.4 VRHE at varying dwell times. The reaction rate constants and specific capacitances of carbon and platinum were fitted by evaluating the double layer capacitance (Cdl) trends. Carbon surface oxidation increased the Cdl due to increased specific capacitance for carbon surfaces with carbon-oxygen groups, while the second corrosion reaction decreased the Cdl due to loss of the overall carbon surface area. The first oxidation step differed between carbon types, while both reaction rate constants were found to have a dependency on UPL, temperature, and gas relative humidity.

  10. Towards an improvement of carbon accounting for wildfires: incorporation of charcoal production into carbon emission models

    NASA Astrophysics Data System (ADS)

    Doerr, Stefan H.; Santin, Cristina; de Groot, Bill

    2015-04-01

    Every year fires release to the atmosphere the equivalent to 20-30% of the carbon (C) emissions from fossil fuel consumption, with future emissions from wildfires expected to increase under a warming climate. Critically, however, part of the biomass C affected by fire is not emitted during burning, but converted into charcoal, which is very resistant to environmental degradation and, thus, contributes to long-term C sequestration. The magnitude of charcoal production from wildfires as a long-term C sink remains essentially unknown and, to the date, charcoal production has not been included in wildfire emission and C budget models. Here we present complete inventories of charcoal production in two fuel-rich, but otherwise very different ecosystems: i) a boreal conifer forest (experimental stand-replacing crown fire; Canada, 2012) and a dry eucalyptus forest (high-intensity fuel reduction burn; Australia 2014). Our data show that, when considering all the fuel components and quantifying all the charcoal produced from each (i.e. bark, dead wood debris, fine fuels), the overall amount of charcoal produced is significant: up to a third of the biomass C affected by fire. These findings indicate that charcoal production from wildfires could represent a major and currently unaccounted error in the estimation of the effects of wildfires in the global C balance. We suggest an initial approach to include charcoal production in C emission models, by using our case study of a boreal forest fire and the Canadian Fire Effects Model (CanFIRE). We also provide recommendations of how a 'conversion factor' for charcoal production could be relatively easily estimated when emission factors for different types of fuels and fire conditions are experimentally obtained. Ultimately, this presentation is a call for integrative collaboration between the fire emission modelling community and the charcoal community to work together towards the improvement of C accounting for wildfires.

  11. Multiscale Modeling of Heat Conduction in Carbon Nanotube Aerogels

    NASA Astrophysics Data System (ADS)

    Gong, Feng; Papavassiliou, Dimitrios; Duong, Hai

    Carbon nanotube (CNT) aerogels have attracted a lot of interest due to their ultrahigh strength/weight and surface area/weight ratios. They are promising advanced materials used in energy storage systems, hydrogen storage media and weight-conscious devices such as satellites, because of their ultralight and highly porous quality. CNT aerogels can have excellent electrical conductivity and mechanical strength. However, the thermal conductivity of CNT aerogels are as low as 0.01-0.1 W/mK, which is five orders of magnitude lower than that of CNT (2000-5000 W/mK). To investigate the mechanisms for the low thermal conductivity of CNT aerogels, multiscale models are built in this study. Molecular dynamic (MD) simulations are first carried out to investigate the heat transfer between CNT and different gases (e.g. nitrogen and hydrogen), and the thermal conductance at CNT-CNT interface. The interfacial thermal resistances of CNT-gas and CNT-CNT are estimated from the MD simulations. Mesoscopic modeling of CNT aerogels are then built using an off-lattice Monte Carlo (MC) simulations to replicate the realistic CNT aerogels. The interfacial thermal resistances estimated from MD simulations are used as inputs in the MC models to predict the thermal conductivity of CNT aerogels. The volume fractions and the complex morphologies of CNTs are also quantified to study their effects on the thermal conductivity of CNT aerogels. The quantitative findings may help researchers to obtain the CNT aerogels with expected thermal conductivity.

  12. A global model of carbon-nutrient interactions

    NASA Technical Reports Server (NTRS)

    Moore, Berrien, III; Gildea, Patricia; Vorosmarty, Charles; Mellilo, Jerry M.; Peterson, Bruce J.

    1985-01-01

    The global biogeochemical model presented has two primary objectives. First, it characterizes natural elemental cycles and their linkages for the four elements significant to Earth's biota: C, N, S, and P. Second, it describes changes in these cycles due to human activity. Global nutrient cycles were studied within the drainage basins of several major world rivers on each continent. The initial study region was the Mississippi drainage basin, concentrating on carbon and nitrogen. The model first establishes the nutrient budgets of the undisturbed ecosystems in a study region. It then uses a data set of land use histories for that region to document the changes in these budgets due to land uses. Nutrient movement was followed over time (1800 to 1980) for 30 ecosystems and 10 land use categories. A geographically referenced ecological information system (GREIS) was developed to manage the digital global data bases of 0.5 x 0.5 grid cells needed to run the model: potential vegetation, drainage basins, precipitation, runoff, contemporary land cover, and FAO soil maps of the world. The results show the contributions of land use categories to river nutrient loads on a continental scale; shifts in nutrient cycling patterns from closed, steady state systems to mobile transient or open, steady state systems; soil organic matter depletion patterns in U.S. agricultural lands; changing nutrient ratios due to land use changes; and the effect of using heavy fertilizer on aquatic systems.

  13. A Finite Element Model for Simulation of Carbon Dioxide Sequestration

    SciTech Connect

    Bao, Jie; Xu, Zhijie; Fang, Yilin

    2015-07-23

    We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

  14. Modeling carbon monoxide spread in underground mine fires

    PubMed Central

    Yuan, Liming; Zhou, Lihong; Smith, Alex C.

    2016-01-01

    Carbon monoxide (CO) poisoning is a leading cause of mine fire fatalities in underground mines. To reduce the hazard of CO poisoning in underground mines, it is important to accurately predict the spread of CO in underground mine entries when a fire occurs. This paper presents a study on modeling CO spread in underground mine fires using both the Fire Dynamics Simulator (FDS) and the MFIRE programs. The FDS model simulating part of the mine ventilation network was calibrated using CO concentration data from full-scale mine fire tests. The model was then used to investigate the effect of airflow leakage on CO concentration reduction in the mine entries. The inflow of fresh air at the leakage location was found to cause significant CO reduction. MFIRE simulation was conducted to predict the CO spread in the entire mine ventilation network using both a constant heat release rate and a dynamic fire source created from FDS. The results from both FDS and MFIRE simulations are compared and the implications of the improved MFIRE capability are discussed. PMID:27069400

  15. Can Earth System Models Explain the observed 20th Century Global Carbon Sink?

    NASA Astrophysics Data System (ADS)

    Stouffer, R. J.; Shevliakova, E.; Malyshev, S.; Krasting, J. P.; Pacala, S.; Dunne, J. P.; John, J. G.

    2012-12-01

    Various authors have estimated the net global land carbon flux as a residual from the global budget of atmospheric, oceanic and fossil fuel carbon fluxes. Recently, Tans (2009) used this method to estimate the globally averaged net land carbon inventory changes method from 1850 to near present day. Using ocean model estimates of the oceanic carbon fluxes, he showed the land being a net source of carbon until around 1940, but after that becoming a net sink, with an uncertainty dominated by the net oceanic carbon flux trajectory (~15%; Sabine et al 2004). Recently Ballantyne et al (2012) produced updated estimates of the net carbon fluxes changes from 1960 until present day. They show that the net carbon flux uptake, land plus ocean, increases from around 2 PgC/yr in 1960 to about 5 PgC/yr in 2010. We compare these observationally based estimates with results from the GFDL Earth System Models (ESMs). We show that both GFDL ESMs store too much carbon in the atmosphere, about a 10 to 20 ppm error by 2005. The models have slightly higher mean values than the Tans (2009) oceanic carbon storage changes but fall within the Sabine et al. (2004) uncertainty estimate. While the general shape of the net land carbon changes in Tans (2009) is well simulated by the ESMs, the ESM sign change in land flux occurs about 15-25years later. By 2010, the models simulate the oceanic carbon uptake as ~2.7 PgC/yr, and the land uptake as ~1 PgC/yr for a total of ~4PgC/yr. The land uptake value varies with ensemble member giving evidence for the role of variability in understanding the past carbon changes. This analysis gives us confidence in the models estimates of the climate-carbon feedbacks. The model results will then be analyzed to determine the various causes of those changes.

  16. Mapping the distribution of global carbonate cover from 0 to 100 Ma by modelling the carbonate compensation depth

    NASA Astrophysics Data System (ADS)

    Lithgow-Bertelloni, C. R.; Davis, J.

    2014-12-01

    The oceans play an important part in regulating the carbon cycle and climate system, acting as a buffer between the carbon in the atmosphere and the deep earth. Of all dissolved inorganic carbon (DIC) in the ocean, only carbonate can exist in a solid state (mostly as calcite). As such, the carbonate compensation depth (CCD) acts as control on this buffer, governing the distribution of sedimentary carbonate The CCD today is around 4.5 km depth, though previous work that looked at the composition of sediments on the ocean floor has suggested that CCD was different in the past (e.g. Pälike et al., 2012; Sclater et al., 1977). These studies mostly show the CCD decreasing to shallower depths through the Cenozoic and the Mesozoic. The deepening of the CCD through time is consistent with the decrease in atmospheric CO2 over time shown in the GEOCARB models (Berner, 1987; Berner and Kothavala, 2001; Berner, 2006); more carbon is being stored in the ocean as sediment. We look at the evolution of the CCD since 100 Ma and how this has affected the distribution of sedimentary carbonate on the ocean floor. We combine recent advancements in determining palaeobathymetry into the Mesozoic from reconstructed ages of the ocean floor (Müller et al., 2008) in conjunction with a geochemical model by Boudreau et al. (2010) for the average CCD today, applying it from 0 to 100 Ma. Assuming values for ocean ion concentrations, productivity rates, and solubility constants we make a first order model. The model is sensitive to changes in the dissolved concentration of carbonate. In the reconstruction where the surface saturation state of calcite was decreased going back to 100 Ma, the CCD gradually deepens with time, consistent with other independent studies. The CCD reconstructions were then used to map the theoretical extent of global sedimentary carbonate and determine proximity to subduction zones. The maps suggest that the amount of sedimentary carbon being subducted has increased

  17. Modeling dissolved organic carbon in temperate forest soils: TRIPLEX-DOC model development and validation

    NASA Astrophysics Data System (ADS)

    Wu, H.; Peng, C.; Moore, T. R.; Hua, D.; Li, C.; Zhu, Q.; Peichl, M.; Arain, M. A.; Guo, Z.

    2014-05-01

    Even though dissolved organic carbon (DOC) is the most active carbon (C) cycling in soil organic carbon (SOC) pools, it receives little attention from the global C budget. DOC fluxes are critical to aquatic ecosystem inputs and contribute to the C balance of terrestrial ecosystems, but few ecosystem models have attempted to integrate DOC dynamics into terrestrial C cycling. This study introduces a new process-based model, TRIPLEX-DOC, that is capable of estimating DOC dynamics in forest soils by incorporating both ecological drivers and biogeochemical processes. TRIPLEX-DOC was developed from Forest-DNDC, a biogeochemical model simulating C and nitrogen (N) dynamics, coupled with a new DOC process module that predicts metabolic transformations, sorption/desorption, and DOC leaching in forest soils. The model was validated against field observations of DOC concentrations and fluxes at white pine forest stands located in southern Ontario, Canada. The model was able to simulate seasonal dynamics of DOC concentrations and the magnitudes observed within different soil layers, as well as DOC leaching in the age sequence of these forests. Additionally, TRIPLEX-DOC estimated the effect of forest harvesting on DOC leaching, with a significant increase following harvesting, illustrating that land use change is of critical importance in regulating DOC leaching in temperate forests as an important source of C input to aquatic ecosystems.

  18. Factorial Based Response Surface Modeling with Confidence Intervals for Optimizing Thermal Optical Transmission Analysis of Atmospheric Black Carbon

    EPA Science Inventory

    We demonstrate how thermal-optical transmission analysis (TOT) for refractory light-absorbing carbon in atmospheric particulate matter was optimized with empirical response surface modeling. TOT employs pyrolysis to distinguish the mass of black carbon (BC) from organic carbon (...

  19. 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.

  20. A coupled carbon and plant hydraulic model to predict ecosystem carbon and water flux responses to disturbance and environmental change

    NASA Astrophysics Data System (ADS)

    Mackay, D. S.; Ewers, B. E.; Roberts, D. E.; McDowell, N. G.; Pendall, E.; Frank, J. M.; Reed, D. E.; Massman, W. J.; Mitra, B.

    2011-12-01

    Changing climate drivers including temperature, humidity, precipitation, and carbon dioxide (CO2) concentrations directly control land surface exchanges of CO2 and water. In a profound way these responses are modulated by disturbances that are driven by or exacerbated by climate change. Predicting these changes is challenging given that the feedbacks between environmental controls, disturbances, and fluxes are complex. Flux data in areas of bark beetle outbreaks in the western U.S.A. show differential declines in carbon and water flux in response to the occlusion of xylem by associated fungi. For example, bark beetle infestation at the GLEES AmeriFlux site manifested in a decline in summer water use efficiency to 60% in the year after peak infestation compared to previous years, and no recovery of carbon uptake following a period of high vapor pressure deficit. This points to complex feedbacks between disturbance and differential ecosystem reaction and relaxation responses. Theory based on plant hydraulics and extending to include links to carbon storage and exhaustion has potential for explaining these dynamics with simple, yet rigorous models. In this spirit we developed a coupled model that combines an existing model of canopy water and carbon flow, TREES [e.g., Loranty et al., 2010], with the Sperry et al., [1998] plant hydraulic model. The new model simultaneously solves carbon uptake and losses along with plant hydraulics, and allows for testing specific hypotheses on feedbacks between xylem dysfunction, stomatal and non-stomatal controls on photosynthesis and carbon allocation, and autotrophic and heterotrophic respiration. These are constrained through gas exchange, root vulnerability to cavitation, sap flux, and eddy covariance data in a novel model complexity-testing framework. Our analysis focuses on an ecosystem gradient spanning sagebrush to subalpine forests. Our modeling results support hypotheses on feedbacks between hydraulic dysfunction and 1) non

  1. Grain formation around carbon stars. 1: Stationary outflow models

    NASA Technical Reports Server (NTRS)

    Egan, Michael P.; Leung, Chun Ming

    1995-01-01

    Asymptotic giant branch (AGB) stars are known to be sites of dust formation and undergo significant mass loss. The outflow is believed to be driven by radiation pressure on grains and momentum coupling between the grains and gas. While the physics of shell dynamics and grain formation are closely coupled, most previous models of circumstellar shells have treated the problem separately. Studies of shell dynamics typically assume the existence of grains needed to drive the outflow, while most grain formation models assume a constant veolcity wind in which grains form. Furthermore, models of grain formation have relied primarily on classical nucleation theory instead of using a more realistic approach based on chemical kinetics. To model grain formation in carbon-rich AGB stars, we have coupled the kinetic equations governing small cluster growth to moment equations which determine the growth of large particles. Phenomenological models assuming stationary outflow are presented to demonstrate the differences between the classical nucleation approach and the kinetic equation method. It is found that classical nucleation theory predicts nucleation at a lower supersaturation ratio than is predicted by the kinetic equations, resulting in significant differences in grain properties. Coagulation of clusters larger than monomers is unimportant for grain formation in high mass-loss models but becomes more important to grain growth in low mass-loss situations. The properties of the dust grains are altered considerably if differential drift velocities are ignored in modeling grain formation. The effect of stellar temperature, stellar luminosity, and different outflow velocities are investigated. The models indicate that changing the stellar temperature while keeping the stellar luminosity constant has little effect on the physical parameters of the dust shell formed. Increasing the stellar luminosity while keeping the stellar temperature constant results in large differences in

  2. Modeling carbon dynamics and social drivers of bioenergy agroecosystems

    NASA Astrophysics Data System (ADS)

    Hunt, Natalie D.

    Meeting society's energy needs through bioenergy feedstock production presents a significant and urgent challenge, as it can aid in achieving energy independence goals and mitigating climate change. With federal biofuel production standards to be met within the next decade, and with no commercial scale production or markets currently in place, many questions regarding the sustainability and social feasibility of bioenergy still persist. Clarifying these uncertainties requires the incorporation of biogeochemical, biophysical, and socioeconomic modeling tools. Chapter 2 validated the biogeochemical cycling model AGRO-BGC by comparing model estimates with empirical observations from corn and perennial C4 grass systems across Wisconsin and Illinois. AGRO-BGC, in its first application to an annual cropping system, was found to be a robust model for simulating carbon dynamics of an annual cropping system. Chapter 3 investigated the long-term implications of bioenergy feedstock harvest on soil productivity and erosion in annual corn and perennial switchgrass agroecosystems using AGRO-BGC and the soil erosion model RUSLE2. Modeling environments included biophysical landscape characteristics and management practices of bioenergy feedstock production systems. This study found that intensifying aboveground residue harvest reduces soil productivity over time, and the magnitude of these losses is greater in corn than in switchgrass systems. Results of this study will aid in the design of sustainable bioenergy feedstock management practices. Chapter 4 provided evidence that combining biophysical crop canopy characteristics with satellite-derived vegetation indices offers suitable estimates of crop canopy phenology for corn and soybeans in Southwest Wisconsin farms. LANDSAT based vegetation indices, when combined with a light use efficiency model, provide yield estimates in agreement with farmer reports, providing an efficient and accurate means of estimating crop yields from

  3. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

    NASA Technical Reports Server (NTRS)

    Gokcen, Tahir; Dateo, Christopher E.; Meyyappan, M.

    2002-01-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The 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 the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

  4. Estimating dead organic matter carbon dynamics of an intact mixed dipterocarp forest in Brunei with a forest carbon model

    NASA Astrophysics Data System (ADS)

    Lee, J.; Lee, S.; Han, S. H.; Kim, S.; Roh, Y.; Abu Salim, K.; Davies, S. J.; Son, Y.

    2015-12-01

    Intact tropical forests contain substantial amount of carbon (C) and play an important role in global carbon cycles. Field measurement is needed to quantify dead organic matter (DOM) C dynamics in tropical forests while it requires much labor and cost. In contrast, forest carbon models can simulate C dynamics, overcoming the limitation of field measurement. In this study, we simulated the DOM C dynamics of an intact mixed dipterocarp forest at Kuala Belalong in Brunei, by using a forest carbon model. In order to estimate the annual changes in the C stocks of litter layer, dead root, coarse woody debris (CWD), and soils, a forest carbon model, KFSC model, was parameterized to the study site. In order to initialize the KFSC model, the C stocks in biomass, litter layer, CWD, and soils were measured in twenty seven 20 m x 20 m plots in 2014. The measured C stocks (Mg C ha-1) in litter layer, dead root, CWD, and soils were 3.2 ± 0.5, 4.0 ± 1.9, 32.5 ± 38.9, and 75.2 ± 9.2, respectively. The simulation results showed that the annual changes in the C stocks (Mg C ha-1 yr-1) of litter layer, dead root, CWD, and soils were 2.7 ± 2.0, 1.4 ± 1.8, -1.5 ± 7.7, and 0.5 ± 1.8, respectively. The total DOM C stocks tended to increase at the rate of 3.3 ± 9.6 Mg C ha-1 yr-1, but it exhibited the high variation. This might be attributed to the high variation of the annual changes in the CWD C stocks. Our results exhibited the applicability of forest carbon models to quantify DOM C dynamics in intact tropical rain forests. This study was supported by Korea Ministry of Environment (2014001310008) and Korea Forest Service (S121314L130110).

  5. Estimating forest carbon dynamics in South Korea from 1954 to 2050 - coupling global forestry model and forest soil carbon model

    NASA Astrophysics Data System (ADS)

    Lee, Jongyeol; Kim, Moonil; Lakyda, Ivan; Pietsch, Stephan; Shvidenko, Anatoly; Kraxner, Florian; Forsell, Nicklas; Son, Yowhan

    2016-04-01

    There have been demands on reporting national forest carbon (C) inventories to mitigate global climate change. Global forestry models estimate growth of stem volume and C at various spatial and temporal scales but they do not consider dead organic matter (DOM) C. In this study, we simulated national forest C dynamics in South Korea with a calibrated global forestry model (G4M model) and a module of DOM C dynamics in Korean forest C model (FBDC model). 3890 simulation units (1-16 km2) were established in entire South Korea. Growth functions of stem for major tree species (Pinus densiflora, P. rigida, Larix kaempferi, Quercus variabilis, Q. mongolica, and Q. acutissima) were estimated by internal mechanism of G4M model and Korean yield tables. C dynamics in DOMs were determined by balance between input and output (decomposition) of DOMs in the FBDC model. Annual input of DOM was estimated by multiplying C stock of biomass compartment with turnover rate. Decomposition of DOM was estimated by C stock of DOM, mean air temperature, and decay rate. C stock in each C pool was initialized by spin-up process with consideration of severe deforestation by Japanese exploitation and Korean War. No disturbance was included in the simulation process. Total forest C stock (Tg C) and mean C density (Mg C ha‑1) decreased from 657.9 and 112.1 in 1954 to 607.2 and 103.4 in 1973. Especially, C stock in mineral soil decreased at a rate of 0.5 Mg C ha‑1 yr‑1 during the period due to suppression of regeneration. However, total forest C stock (Tg C) and mean C density (Mg C ha‑1) gradually increased from 607.0 and 103.4 in 1974 to 1240.7 and 211.3 in 2015 due to the national reforestation program since 1973. After the reforestation program, Korean forests became C sinks. Model estimates were also verified by comparison of these estimates and national forest inventory data (2006-2010). High similarity between the model estimates and the inventory data showed a reliability of down

  6. System-Level Analysis Modeling of Impacts of Operation Schemes of Geologic Carbon Dioxide Storage on Deep Groundwater and Carbon Dioxide Leakage Risk

    NASA Astrophysics Data System (ADS)

    Park, S.; Lee, S.; Park, J.; Kim, J.; Kihm, J.

    2013-12-01

    The objectives of this study are to predict quantitatively groundwater and carbon dioxide flow in deep saline sandstone aquifers under various carbon dioxide injection schemes (injection rate, injection period) and to analyze integratively impacts of such carbon dioxide injection schemes on deep groundwater (brine) and carbon dioxide leakage risk through abandoned wells or faults. In order to achieve the first objective, a series of process-level prediction modeling of groundwater and carbon dioxide flow in a deep saline sandstone aquifer under several carbon dioxide injection schemes was performed using a multiphase thermo-hydrological numerical model TOUGH2 (Pruess et al., 1999). The prediction modeling results show that the extent of carbon dioxide plume is significantly affected by such carbon dioxide injection schemes. In order to achieve the second objective, a series of system-level analysis modeling of deep groundwater and carbon dioxide leakage risk through an abandoned well or a fault under several carbon dioxide injection schemes was then performed using a brine and carbon dioxide leakage risk analysis model CO2-LEAK (Kim, 2012). The analysis modeling results show that the rates and amounts of deep groundwater and carbon dioxide leakage through an abandoned well or a fault increase as the carbon dioxide injection rate increases. However, the rates and amounts of deep groundwater and carbon dioxide leakage through an abandoned well or a fault decrease as the carbon dioxide injection period increases. These system-level analysis modeling results for deep groundwater and carbon dioxide leakage risk can be utilized as baseline data for establishing guidelines to mitigate anticipated environmental adverse effects on shallower groundwater systems (aquifers) when deep groundwater and carbon dioxide leakage occur. This work was supported by the Geo-Advanced Innovative Action (GAIA) Program funded by the Korea Environmental Industry and Technology Institute

  7. Modeling Pacific Northwest carbon and water cycling using CARAIB Dynamic Vegetation Model

    NASA Astrophysics Data System (ADS)

    Dury, M.; Kim, J. B.; Still, C. J.; Francois, L. M.; Jiang, Y.

    2015-12-01

    While uncertainties remain regarding projected temperature and precipitation changes, climate warming is already affecting ecosystems in the Pacific Northwest (PNW). Decrease in ecosystem productivity as well as increase in mortality of some plant species induced by drought and disturbance have been reported. Here, we applied the process-based dynamic vegetation model CARAIB to PNW to simulate the response of water and carbon cycling to current and future climate change projections. The vegetation model has already been successfully applied to Europe to simulate plant physiological response to climate change. We calibrated CARAIB to PNW using global Plant Functional Types. For calibration, the model is driven with the gridded surface meteorological dataset UIdaho MACA METDATA with 1/24-degree (~4-km) resolution at a daily time step for the period 1979-2014. The model ability to reproduce the current spatial and temporal variations of carbon stocks and fluxes was evaluated using a variety of available datasets, including eddy covariance and satellite observations. We focused particularly on past severe drought and fire episodes. Then, we simulated future conditions using the UIdaho MACAv2-METDATA dataset, which includes downscaled CMIP5 projections from 28 GCMs for RCP4.5 and RCP8.5. We evaluated the future ecosystem carbon balance resulting from changes in drought frequency as well as in fire risk. We also simulated future productivity and drought-induced mortality of several key PNW tree species.

  8. Modelling clustering of vertically aligned carbon nanotube arrays.

    PubMed

    Schaber, Clemens F; Filippov, Alexander E; Heinlein, Thorsten; Schneider, Jörg J; Gorb, Stanislav N

    2015-08-01

    Previous research demonstrated that arrays of vertically aligned carbon nanotubes (VACNTs) exhibit strong frictional properties. Experiments indicated a strong decrease of the friction coefficient from the first to the second sliding cycle in repetitive measurements on the same VACNT spot, but stable values in consecutive cycles. VACNTs form clusters under shear applied during friction tests, and self-organization stabilizes the mechanical properties of the arrays. With increasing load in the range between 300 µN and 4 mN applied normally to the array surface during friction tests the size of the clusters increases, while the coefficient of friction decreases. To better understand the experimentally obtained results, we formulated and numerically studied a minimalistic model, which reproduces the main features of the system with a minimum of adjustable parameters. We calculate the van der Waals forces between the spherical friction probe and bunches of the arrays using the well-known Morse potential function to predict the number of clusters, their size, instantaneous and mean friction forces and the behaviour of the VACNTs during consecutive sliding cycles and at different normal loads. The data obtained by the model calculations coincide very well with the experimental data and can help in adapting VACNT arrays for biomimetic applications. PMID:26464787

  9. Regional Mapping, Modelling, and Monitoring of Tree Aboveground Biomass Carbon

    NASA Astrophysics Data System (ADS)

    Hudak, Andrew

    2016-04-01

    Airborne lidar collections are preferred for mapping aboveground biomass carbon (AGBC), while historical Landsat imagery are preferred for monitoring decadal scale forest cover change. Our modelling approach tracks AGBC change regionally using Landsat time series metrics; training areas are defined by airborne lidar extents within which AGBC is accurately mapped with high confidence. Geospatial topographic and climate layers are also included in the predictive model. Validation is accomplished using systematically sampled Forest Inventory and Analysis (FIA) plot data that have been independently collected, processed and summarized at the county level. Our goal is to demonstrate that spatially and temporally aggregated annual AGBC map predictions show no bias when compared to annual county-level summaries across the Northwest USA. A prominent source of bias is trees outside forest; much of the more arid portions of our study area meet the FIA definition of non-forest because the tree cover does not exceed their minimum tree cover threshold. We employ detailed tree cover maps derived from high-resolution aerial imagery to extend our AGBC predictions into non-forest areas. We also employ Landsat-derived annual disturbance maps into our mapped AGBC predictions prior to aggregation and validation.

  10. Modeling anomalous diffusion of dense fluids in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Gerald; Hadjiconstantinou, Nicolas

    2015-11-01

    Molecular diffusive mechanisms exhibited under nanoconfinement can differ considerably from the Fickian self-diffusion expected in a bulk fluid. We propose a theoretical description of this phenomenon in a nanofluidic system of considerable interest - namely, a dense fluid confined within a carbon nanotube (CNT). We show that the anomalous diffusion reported in the literature is closely related to the fluid layering widely observed in this system and recently theoretically described [Wang and Hadjiconstantinou, Physics of Fluids, 052006, 2015]. In particular, we find that the key to describing the anomalous molecular diffusion (within sufficiently large CNTs) lies in recognizing that the diffusion mechanism is spatially dependent: while fluid in the center of the nanotube (at least three molecular diameters away from the wall) exhibits Fickian diffusion, fluid near the CNT wall can demonstrate non-Fickian diffusive behavior. The previously reported anomalous diffusive behavior can be reproduced, to a good approximation level, by appropriately combining the bulk and near-wall behavior to form a model for the overall diffusion rate within the nanotube. Such models produce results in quantitative agreement with molecular dynamics simulations.

  11. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    DOE PAGESBeta

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modifiedmore » to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

  12. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    SciTech Connect

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modified to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.

  13. PALADYN, a comprehensive land surface-vegetation-carbon cycle model of intermediate complexity

    NASA Astrophysics Data System (ADS)

    Willeit, Matteo; Ganopolski, Andrey

    2016-04-01

    PALADYN is presented, a new comprehensive and computationally efficient land surface-vegetation-carbon cycle model designed to be used in Earth system models of intermediate complexity for long-term simulations and paleoclimate studies. The model treats in a consistent manner the interaction between atmosphere, terrestrial vegetation and soil through the fluxes of energy, water and carbon. Energy, water and carbon are conserved. The model explicitly treats permafrost, both in physical processes and as important carbon pool. The model distinguishes 9 surface types of which 5 are different vegetation types, bare soil, land ice, lake and ocean shelf. Including the ocean shelf allows to treat continuous changes in sea level and shelf area associated with glacial cycles. Over each surface type the model solves the surface energy balance and computes the fluxes of sensible, latent and ground heat and upward shortwave and longwave radiation. It includes a single snow layer. The soil model distinguishes between three different macro surface types which have their own soil column: vegetation and bare soil, ice sheet and ocean shelf. The soil is vertically discretized into 5 layers where prognostic equations for temperature, water and carbon are consistently solved. Phase changes of water in the soil are explicitly considered. A surface hydrology module computes precipitation interception by vegetation, surface runoff and soil infiltration. The soil water equation is based on Darcy's law. Given soil water content, the wetland fraction is computed based on a topographic index. Photosynthesis is computed using a light use efficiency model. Carbon assimilation by vegetation is coupled to the transpiration of water through stomatal conductance. The model includes a dynamic vegetation module with 5 plant functional types competing for the gridcell share with their respective net primary productivity. Each macro surface type has its own carbon pools represented by a litter, a fast

  14. Uncertainties in Carbon Dioxide Radiative Forcing in Atmospheric General Circulation Models

    NASA Technical Reports Server (NTRS)

    Cess, R. D.; Zhang, M.-H.; Potter, G. L.; Gates, W. L.; Taylor, K. E.; Barker, H. W.; Colman, R. A.; Fraser, J. R.; McAvaney, B. J.; Dazlich, D. A.; Randall, D. A.; DelGenio, A. D.; Lacis, A. A.; Esch, M.; Roeckner, E.; Galin, V.; Hack, J. J.; Kiehl, J. T.; Ingram, W. J.; LeTreut, H.

    1993-01-01

    Global warming, caused by an increase in the concentrations of greenhouse gases, is the direct result of greenhouse gas-induced radiative forcing. When a doubling of atmospheric carbon dioxide is considered, this forcing differed substantially among 15 atmospheric general circulation models. Although there are several potential causes, the largest contributor was the carbon dioxide radiation parameterizations of the models.

  15. Predicting carbon dynamics in integrated production systems in Brazil using the CQESTR model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Process-based carbon models are research tools to predict management impact on soil organic carbon (SOC) and options to increase SOC stocks and reduce CO2. The CQESTR model was used to examine the effect of soil management practices, including integrated crop-livestock system (iCLS), and various sc...

  16. Controls on terrestrial carbon feedbacks by productivity versus turnover in the CMIP5 Earth System Models

    NASA Astrophysics Data System (ADS)

    Koven, C. D.; Chambers, J. Q.; Georgiou, K.; Knox, R.; Negron-Juarez, R.; Riley, W. J.; Arora, V. K.; Brovkin, V.; Friedlingstein, P.; Jones, C. D.

    2015-09-01

    To better understand sources of uncertainty in projections of terrestrial carbon cycle feedbacks, we present an approach to separate the controls on modeled carbon changes. We separate carbon changes into four categories using a linearized, equilibrium approach: those arising from changed inputs (productivity-driven changes), and outputs (turnover-driven changes), of both the live and dead carbon pools. Using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations for five models, we find that changes to the live pools are primarily explained by productivity-driven changes, with only one model showing large compensating changes to live carbon turnover times. For dead carbon pools, the situation is more complex as all models predict a large reduction in turnover times in response to increases in productivity. This response arises from the common representation of a broad spectrum of decomposition turnover times via a multi-pool approach, in which flux-weighted turnover times are faster than mass-weighted turnover times. This leads to a shift in the distribution of carbon among dead pools in response to changes in inputs, and therefore a transient but long-lived reduction in turnover times. Since this behavior, a reduction in inferred turnover times resulting from an increase in inputs, is superficially similar to priming processes, but occurring without the mechanisms responsible for priming, we call the phenomenon "false priming", and show that it masks much of the intrinsic changes to dead carbon turnover times as a result of changing climate. These patterns hold across the fully coupled, biogeochemically coupled, and radiatively coupled 1 % yr-1 increasing CO2 experiments. We disaggregate inter-model uncertainty in the globally integrated equilibrium carbon responses to initial turnover times, initial productivity, fractional changes in turnover, and fractional changes in productivity. For both the live and dead carbon pools, inter-model spread in

  17. Controls on terrestrial carbon feedbacks by productivity versus turnover in the CMIP5 Earth System Models

    DOE PAGESBeta

    Koven, C. D.; Chambers, J. Q.; Georgiou, K.; Knox, R.; Negron-Juarez, R.; Riley, W. J.; Arora, V. K.; Brovkin, V.; Friedlingstein, P.; Jones, C. D.

    2015-09-07

    To better understand sources of uncertainty in projections of terrestrial carbon cycle feedbacks, we present an approach to separate the controls on modeled carbon changes. We separate carbon changes into four categories using a linearized, equilibrium approach: those arising from changed inputs (productivity-driven changes), and outputs (turnover-driven changes), of both the live and dead carbon pools. Using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations for five models, we find that changes to the live pools are primarily explained by productivity-driven changes, with only one model showing large compensating changes to live carbon turnover times. For dead carbon pools, themore » situation is more complex as all models predict a large reduction in turnover times in response to increases in productivity. This response arises from the common representation of a broad spectrum of decomposition turnover times via a multi-pool approach, in which flux-weighted turnover times are faster than mass-weighted turnover times. This leads to a shift in the distribution of carbon among dead pools in response to changes in inputs, and therefore a transient but long-lived reduction in turnover times. Since this behavior, a reduction in inferred turnover times resulting from an increase in inputs, is superficially similar to priming processes, but occurring without the mechanisms responsible for priming, we call the phenomenon "false priming", and show that it masks much of the intrinsic changes to dead carbon turnover times as a result of changing climate. These patterns hold across the fully coupled, biogeochemically coupled, and radiatively coupled 1 % yr−1 increasing CO2 experiments. We disaggregate inter-model uncertainty in the globally integrated equilibrium carbon responses to initial turnover times, initial productivity, fractional changes in turnover, and fractional changes in productivity. For both the live and dead carbon pools, inter-model

  18. Controls on terrestrial carbon feedbacks by productivity vs. turnover in the CMIP5 Earth System Models

    DOE PAGESBeta

    Koven, C. D.; Chambers, J. Q.; Georgiou, K.; Knox, R.; Negron-Juarez, R.; Riley, W. J.; Arora, V. K.; Brovkin, V.; Friedlingstein, P.; Jones, C. D.

    2015-04-16

    To better understand sources of uncertainty in projections of terrestrial carbon cycle feedbacks, we present an approach to separate the controls on modeled carbon changes. We separate carbon changes into 4 categories using a linearized, equilibrium approach: those arising from changed inputs (productivity-driven changes), and outputs (turnover-driven changes), and apply the analysis separately to the live and dead carbon pools. Using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations for 5 models, we find that changes to the live pools are primarily explained by productivity-driven changes, with only one model showing large compensating changes to live carbon turnover times. Formore » dead carbon pools, the situation is more complex as all models predict a large reduction in turnover times in response to increases in productivity. This responses arises from the common representation of a broad spectrum of decomposition turnover times via a multi-pool approach, in which flux-weighted turnover times are faster than mass-weighted turnover times. This leads to a shift in the distribution of carbon among dead pools in response to changes in inputs, and therefore a transient but long-lived reduction in turnover times in response to increases in productivity. Since this behavior, a reduction in inferred turnover times resulting from an increase in inputs, is superficially similar to priming processes, but occurring without the mechanisms responsible for priming, we call the phenomenon "false priming", and show that it masks much of the intrinsic changes to dead carbon turnover times as a result of changing climate. These patterns hold across the fully-coupled, biogeochemically-coupled, and radiatively-coupled 1% yr−1 increasing CO2 experiments. We disaggregate inter-model uncertainty in the globally-integrated equilibrium carbon responses to initial turnover times, inital productivity, fractional changes in turnover, and fractional changes in

  19. Modeling the Response of Arctic Vegetation to Increasing Atmospheric Carbon Dioxide and Climate Change

    NASA Astrophysics Data System (ADS)

    Cassidy, E. S.; Snyder, P. K.

    2009-12-01

    An increase in atmospheric carbon dioxide is contributing to planetary warming that is strongest over high latitude land areas of the Northern Hemisphere. Elevated levels of atmospheric carbon dioxide and strong warming have led to changes in vegetation distribution, permafrost depth, and snow cover, which significantly affect the interactions between the terrestrial ecosystem and the climate through biophysical and biogeochemical processes. With a continued rise in greenhouse gas emissions and additional warming in the high latitudes, uncertainty exists as to how the Arctic biosphere will respond in the coming decades and whether Arctic ecosystems will remain a carbon sink or instead become a source of carbon to the atmosphere. Elevated carbon dioxide and climate change can affect vegetation growth through changing the assimilation of carbon dioxide and the respiration of carbon from the vegetation and soil. Using a dynamic global vegetation model, the Integrated BIosphere Simulator Model (IBIS), potential changes in both the biophysical and biogeochemical processes of Arctic vegetation were analyzed to determine how future climate change and elevated atmospheric carbon dioxide may alter their functioning and ability to store carbon. High latitude regions were modeled using a variety of temperature, precipitation, and carbon dioxide scenarios. Changes in gross and net primary production, net ecosystem exchange, soil carbon, soil respiration, leaf area index, and biomass content were analyzed. Under high levels of carbon dioxide, net primary production increased at a greater rate than high levels of warming. Soil carbon decreased dramatically with high levels of warming as soil respiration increased, but soil carbon increased with higher levels of atmospheric carbon dioxide as the vegetation fixed more carbon. Net primary production also increased in scenarios with elevated precipitation. The results from the combined scenarios of climate and atmospheric carbon

  20. Evaluating the Carbon Cycle of a Coupled Atmosphere-Biosphere Model

    SciTech Connect

    Delire, C; Foley, J A; Thompson, S

    2002-08-21

    We investigate how well a coupled biosphere-atmosphere model, CCM3-IBIS, can simulate the functioning of the terrestrial biosphere and the carbon cycling through it. The simulated climate is compared to observations, while the vegetation cover and the carbon cycle are compared to an offline version of the biosphere model IBIS forced with observed climatic variables. The simulated climate presents some local biases that strongly affect the vegetation (e.g., a misrepresentation of the African monsoon). Compared to the offline model, the coupled model simulates well the globally averaged carbon fluxes and vegetation pools. The zonal mean carbon fluxes and the zonal mean seasonal cycle are also well represented except between 0{sup o} and 20{sup o}N due to the misrepresentation of the African monsoon. These results suggest that, despite regional biases in climate and ecosystem simulations, this coupled atmosphere-biosphere model can be used to explore geographic and temporal variations in the global carbon cycle.

  1. Three-dimensional delayed-detonation models with nucleosynthesis for Type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Seitenzahl, Ivo R.; Ciaraldi-Schoolmann, Franco; Röpke, Friedrich K.; Fink, Michael; Hillebrandt, Wolfgang; Kromer, Markus; Pakmor, Rüdiger; Ruiter, Ashley J.; Sim, Stuart A.; Taubenberger, Stefan

    2013-02-01

    We present results for a suite of 14 three-dimensional, high-resolution hydrodynamical simulations of delayed-detonation models of Type Ia supernova (SN Ia) explosions. This model suite comprises the first set of three-dimensional SN Ia simulations with detailed isotopic yield information. As such, it may serve as a data base for Chandrasekhar-mass delayed-detonation model nucleosynthetic yields and for deriving synthetic observables such as spectra and light curves. We employ a physically motivated, stochastic model based on turbulent velocity fluctuations and fuel density to calculate in situ the deflagration-to-detonation transition probabilities. To obtain different strengths of the deflagration phase and thereby different degrees of pre-expansion, we have chosen a sequence of initial models with 1, 3, 5, 10, 20, 40, 100, 150, 200, 300 and 1600 (two different realizations) ignition kernels in a hydrostatic white dwarf with a central density of 2.9 × 109 g cm-3, as well as one high central density (5.5 × 109 g cm-3) and one low central density (1.0 × 109 g cm-3) rendition of the 100 ignition kernel configuration. For each simulation, we determined detailed nucleosynthetic yields by post-processing 106 tracer particles with a 384 nuclide reaction network. All delayed-detonation models result in explosions unbinding the white dwarf, producing a range of 56Ni masses from 0.32 to 1.11 M⊙. As a general trend, the models predict that the stable neutron-rich iron-group isotopes are not found at the lowest velocities, but rather at intermediate velocities (˜3000-10 000 km s-1) in a shell surrounding a 56Ni-rich core. The models further predict relatively low-velocity oxygen and carbon, with typical minimum velocities around 4000 and 10 000 km s-1, respectively.

  2. Process-Response Numerical Modeling in Carbonate Systems - Current Status and Importance (Invited)

    NASA Astrophysics Data System (ADS)

    Sarg, J.; Jenkins, C. J.; Burgess, P. M.; Budd, D. A.; Rankey, E. C.; Demicco, R. V.

    2009-12-01

    Developing predictive models of carbonate systems has important implications for monitoring and managing global climate change affecting societies around the world. Carbonate sediments and rocks form an important part of the global carbon cycle. More than 80% of Earth’s carbon is locked up in carbonate rocks, and is the primary ultimate sink for CO2 introduced into the atmosphere. Reefs and carbonate platforms, in general, are sensitive climatic indicators, and contain important records of past climate change. Ancient carbonate platforms and systems play a significant role in the global economy. They are the raw material for construction, and through their high permeability’s and porosities, carbonate rocks serve as important fresh water aquifers and petroleum reservoirs. They host more than half of the world’s petroleum. The systems that produce carbonate sediments have multiple interacting biologic, chemical, and hydrodynamic elements. Carbonate sediments are originally and predominantly derived from biological mineralization directly from seawater. Waves, tides, and marine currents can redistribute these sediments landward into lagoons or tidal flats, send them seaward into the deep or sea, or trap them within the hydraulic regime in which they originated. The characteristics of carbonate sediments are thus sensitive to environmental parameters like light, bathymetry, temperature, salinity, turbidity, nutrient and oxygen levels, hydrodynamics, and mineral saturation states. Localized buildups of carbonate sediments can alter the local hydraulic regime and change the nature of surrounding sediments. The prospect of modeling carbonates in detail has been daunting. Existing carbonate models are a class of rule-based ‘simulations’ with limited predictive qualities. The earliest computer models of carbonate deposition were 1-D and 2-D, and essentially modeled carbonates as “in-place” accumulations of sediment. In most cases, sediment production in these

  3. Carbon budget estimation of a subarctic catchment using a dynamic ecosystem model at high spatial resolution

    NASA Astrophysics Data System (ADS)

    Tang, J.; Miller, P. A.; Persson, A.; Olefeldt, D.; Pilesjo, P.; Heliasz, M.; Jackowicz-Korczynski, M.; Yang, Z.; Smith, B.; Callaghan, T. V.; Christensen, T. R.

    2015-05-01

    A large amount of organic carbon is stored in high-latitude soils. A substantial proportion of this carbon stock is vulnerable and may decompose rapidly due to temperature increases that are already greater than the global average. It is therefore crucial to quantify and understand carbon exchange between the atmosphere and subarctic/arctic ecosystems. In this paper, we combine an Arctic-enabled version of the process-based dynamic ecosystem model, LPJ-GUESS (version LPJG-WHyMe-TFM) with comprehensive observations of terrestrial and aquatic carbon fluxes to simulate long-term carbon exchange in a subarctic catchment at 50 m resolution. Integrating the observed carbon fluxes from aquatic systems with the modeled terrestrial carbon fluxes across the whole catchment, we estimate that the area is a carbon sink at present and will become an even stronger carbon sink by 2080, which is mainly a result of a projected densification of birch forest and its encroachment into tundra heath. However, the magnitudes of the modeled sinks are very dependent on future atmospheric CO2 concentrations. Furthermore, comparisons of global warming potentials between two simulations with and without CO2 increase since 1960 reveal that the increased methane emission from the peatland could double the warming effects of the whole catchment by 2080 in the absence of CO2 fertilization of the vegetation. This is the first process-based model study of the temporal evolution of a catchment-level carbon budget at high spatial resolution, including both terrestrial and aquatic carbon. Though this study also highlights some limitations in modeling subarctic ecosystem responses to climate change, such as aquatic system flux dynamics, nutrient limitation, herbivory and other disturbances, and peatland expansion, our study provides one process-based approach to resolve the complexity of carbon cycling in subarctic ecosystems while simultaneously pointing out the key model developments for capturing

  4. Autotrophic carbon budget in coral tissue: a new 13C-based model of photosynthate translocation.

    PubMed

    Tremblay, Pascale; Grover, Renaud; Maguer, Jean François; Legendre, Louis; Ferrier-Pagès, Christine

    2012-04-15

    Corals live in symbiosis with dinoflagellates of the genus Symbiodinum. These dinoflagellates translocate a large part of the photosynthetically fixed carbon to the host, which in turn uses it for its own needs. Assessing the carbon budget in coral tissue is a central question in reef studies that still vexes ecophysiologists. The amount of carbon fixed by the symbiotic association can be determined by measuring the rate of photosynthesis, but the amount of carbon translocated by the symbionts to the host and the fate of this carbon are more difficult to assess. In the present study, we propose a novel approach to calculate the budget of autotrophic carbon in the tissue of scleractinian corals, based on a new model and measurements made with the stable isotope (13)C. Colonies of the scleractinian coral Stylophora pistillata were incubated in H(13)CO (-)(3)-enriched seawater, after which the fate of (13)C was followed in the symbionts, the coral tissue and the released particulate organic carbon (i.e. mucus). Results obtained showed that after 15 min, ca. 60% of the carbon fixed was already translocated to the host, and after 48 h, this value reached 78%. However, ca. 48% of the photosynthetically fixed carbon was respired by the symbiotic association, and 28% was released as dissolved organic carbon. This is different from other coral species, where <1% of the total organic carbon released is from newly fixed carbon. Only 23% of the initially fixed carbon was retained in the symbionts and coral tissue after 48 h. Results show that our (13)C-based model could successfully trace the carbon flow from the symbionts to the host, and the photosynthetically acquired carbon lost from the symbiotic association. PMID:22442377

  5. Chemical analysis and molecular models for calcium-oxygen-carbon interactions in black carbon found in fertile Amazonian anthrosoils.

    PubMed

    Archanjo, Braulio S; Araujo, Joyce R; Silva, Alexander M; Capaz, Rodrigo B; Falcão, Newton P S; Jorio, Ado; Achete, Carlos A

    2014-07-01

    Carbon particles containing mineral matter promote soil fertility, helping it to overcome the rather unfavorable climate conditions of the humid tropics. Intriguing examples are the Amazonian Dark Earths, anthropogenic soils also known as "Terra Preta de Índio'' (TPI), in which chemical recalcitrance and stable carbon with millenary mean residence times have been observed. Recently, the presence of calcium and oxygen within TPI-carbon nanoparticles at the nano- and mesoscale ranges has been demonstrated. In this work, we combine density functional theory calculations, scanning transmission electron microscopy, energy dispersive X-ray spectroscopy, Fourier transformed infrared spectroscopy, and high resolution X-ray photoelectron spectroscopy of TPI-carbons to elucidate the chemical arrangements of calcium-oxygen-carbon groups at the molecular level in TPI. The molecular models are based on graphene oxide nanostructures in which calcium cations are strongly adsorbed at the oxide sites. The application of material science techniques to the field of soil science facilitates a new level of understanding, providing insights into the structure and functionality of recalcitrant carbon in soil and its implications for food production and climate change. PMID:24892495

  6. Design of Higher Education Teaching Models and Carbon Impacts

    ERIC Educational Resources Information Center

    Caird, Sally; Lane, Andy; Swithenby, Ed; Roy, Robin; Potter, Stephen

    2015-01-01

    Purpose: This research aims to examine the main findings of the SusTEACH study of the carbon-based environmental impacts of 30 higher education (HE) courses in 15 UK institutions, based on an analysis of the likely energy consumption and carbon emissions of a range of face-to-face, distance, online and information and communication technology…

  7. Carbon dioxide fluid-flow modeling and injectivity calculations

    USGS Publications Warehouse

    Burke, Lauri

    2011-01-01

    These results were used to classify subsurface formations into three permeability classifications for the probabilistic calculations of storage efficiency and containment risk of the U.S. Geological Survey geologic carbon sequestration assessment methodology. This methodology is currently in use to determine the total carbon dioxide containment capacity of the onshore and State waters areas of the United States.

  8. Parameterizing A Surface Water Model for Multiwalled Carbon Nanotubes

    EPA Science Inventory

    The unique electronic, mechanical, and structural properties of carbon nanotubes (CNTs) has lead to increasing production of these versatile materials; currently, the use of carbon-based nanomaterials in consumer products is second only to that of nano-scale silver. Although ther...

  9. Continuum modeling of breathing-like modes of spherical carbon onions

    NASA Astrophysics Data System (ADS)

    Ghavanloo, Esmaeal; Ahmad Fazelzadeh, S.

    2015-08-01

    In this letter, an analytical formulation is developed for predicting the breathing-like modes of spherical carbon onions consisting of an arbitrary number of layers. The spherical layers of the carbon onions are concentrically nested, and are coupled through van der Waals (vdW) forces between two adjacent layers. Lennard-Jones potential and continuum models are utilized to estimate the vdW interaction coefficients and the breathing-like modes of the carbon onions. The formulation is justified by a good agreement between the results given by the present model and available experimental and numerical data. Finally, numerical results are obtained for various carbon onions.

  10. Model for carbonate deposition in an Epicontinental Bay

    SciTech Connect

    Carney, C.; Smosna, R.

    1986-05-01

    By mapping the distribution of correlative sediments across the north-central region of the Appalachian basin, a paleogeographic model has been generated for part of the Mississippian period. During the Chesterian, the upper Greenbrier Limestone was deposited in an embayment that extended northward into parts of West Virginia, Ohio, Pennsylvanian, and Maryland. The bay, only a few hundred kilometers wide, was surrounded by lowlands to the west and north, and deltaic sediments shed from nearby highlands diluted the easternmost facies. In the bay, several different shallow-water carbonate environments are distinguished. Muddy skeletal sand was deposited in the central part, which was characterized by normal marine circulation and salinity. This open-bay facies supported a moderately diverse fauna of forams, brachiopods, and mollusks. From the central facies to the bay margins, water depth decreased, circulation became more restricted, and salinity was slightly higher. A restricted-bay facies developed closer to shore, with sediment consisting of pelletal mud and scattered skeletal grains. Diversity was lower, and the fauna was composed primarily of forams and ostracodes. A tidal mud flat surrounded the embayment on all three sides where partly to totally dolomitized mud containing cryptalgal structures formed. Oolite shoals, present on the eastern side of the bay near its mouth, mark areas where tidal currents were concentrated. Eventually, the epicontinental sea flooded the small enclosed bay, replacing the shallow-water facies with an open-marine facies. The new environment supported a highly diverse fauna including crinoids, brachiopods, mollusks, forams, and ostracods.

  11. Observation and Modeling of Single Wall Carbon Nanotube Bend Junctions

    NASA Technical Reports Server (NTRS)

    Han, Jie; Anantram, M. P.; Jaffe, R. L.; Kong, J.; Dai, H.; Saini, Subhash (Technical Monitor)

    1998-01-01

    Single wall carbon nanotube (SWNT) bends, with diameters from approx. 1.0 to 2.5 nm and bend angles from 18 deg. to 34 deg., are observed in catalytic decomposition of hydrocarbons at 600 - 1200 C. An algorithm using molecular dynamics simulation (MD) techniques is developed to model these structures that are considered to be SWNT junctions formed by topological defects (i.e. pentagon-heptagon pairs). The algorithm is used to predict the tube helicities and defect configurations for bend junctions using the observed tube diameters and bend angles. The number and arrangement of the defects at the junction interfaces are found to depend on the tube helicities and bend angle. The structural and energetic calculations using the Brenner potential show a number of stable junction configurations for each bend angle with the 34 deg. bends being more stable than the others. Tight binding calculations for local density of state (LDOS) and transmission coefficients are carried out to investigate electrical properties of the bend junctions.

  12. A new biogeochemical model to simulate regional scale carbon emission from lakes, ponds and wetlands

    NASA Astrophysics Data System (ADS)

    Bayer, Tina; Brakebusch, Matthias; Gustafsson, Erik; Beer, Christian

    2016-04-01

    Small aquatic systems are receiving increasing attention for their role in global carbon cycling. For instance, lakes and ponds in permafrost are net emitters of carbon to the atmosphere, and their capacity to process and emit carbon is significant on a landscape scale, with a global flux of 8-103 Tg methane per year which amounts to 5%-30% of all natural methane emissions (Bastviken et al 2011). However, due to the spatial and temporal highly localised character of freshwater methane emissions, fluxes remain poorly qualified and are difficult to upscale based on field data alone. While many models exist to model carbon cycling in individual lakes and ponds, we perceived a lack of models that can work on a larger scale, over a range of latitudes, and simulate regional carbon emission from a large number of lakes, ponds and wetlands. Therefore our objective was to develop a model that can simulate carbon dioxide and methane emission from freshwaters on a regional scale. Our resulting model provides an additional tool to assess current aquatic carbon emissions as well as project future responses to changes in climatic drivers. To this effect, we have combined an existing large-scale hydrological model (the Variable Infiltration Capacity Macroscale Hydrologic Model (VIC), Liang & Lettenmaier 1994), an aquatic biogeochemical model (BALTSEM, Savchuk et al., 2012; Gustafsson et al., 2014) and developed a new methane module for lakes. The resulting new process-based biogeochemical model is designed to model aquatic carbon emission on a regional scale, and to perform well in high-latitude environments. Our model includes carbon, oxygen and nutrient cycling in lake water and sediments, primary production and methanogenesis. Results of calibration and validation of the model in two catchments (Torne-Kalix in Northern Sweden and of a large arctic river catchment) will be presented.

  13. FLAMES IN TYPE Ia SUPERNOVA: DEFLAGRATION-DETONATION TRANSITION IN THE OXYGEN-BURNING FLAME

    SciTech Connect

    Woosley, S. E.; Kerstein, A. R.; Aspden, A. J. E-mail: arkerst@sandia.gov

    2011-06-10

    The flame in a Type Ia supernova is a conglomerate structure that, depending on density, may involve separate regions of carbon, oxygen, and silicon burning, all propagating in a self-similar, subsonic front. The separation between these three burning regions increases as the density declines until eventually, below about 2 x 10{sup 7} g cm{sup -3}, only carbon burning remains active, the other two burning phases having 'frozen out' on stellar scales. Between 2 and 3 x 10{sup 7} g cm{sup -3}, however, there remains an energetic oxygen-burning region that trails the carbon burning by an amount that is sensitive to the turbulence intensity. As the carbon flame makes a transition to the distributed regime (Karlovitz number {approx}> 10), the characteristic separation between the carbon- and oxygen-burning regions increases dramatically, from a fraction of a meter to many kilometers. The oxygen-rich mixture between the two flames is created at a nearly constant temperature, and turbulence helps to maintain islands of well-mixed isothermal fuel as the temperature increases. The delayed burning of these regions can be supersonic and could initiate a detonation.

  14. Nitrogen feedbacks increase future terrestrial ecosystem carbon uptake in an individual-based dynamic vegetation model

    NASA Astrophysics Data System (ADS)

    Wårlind, D.; Smith, B.; Hickler, T.; Arneth, A.

    2014-11-01

    Recently a considerable amount of effort has been put into quantifying how interactions of the carbon and nitrogen cycle affect future terrestrial carbon sinks. Dynamic vegetation models, representing the nitrogen cycle with varying degree of complexity, have shown diverging constraints of nitrogen dynamics on future carbon sequestration. In this study, we use LPJ-GUESS, a dynamic vegetation model employing a detailed individual- and patch-based representation of vegetation dynamics, to evaluate how population dynamics and resource competition between plant functional types, combined with nitrogen dynamics, have influenced the terrestrial carbon storage in the past and to investigate how terrestrial carbon and nitrogen dynamics might change in the future (1850 to 2100; one representative "business-as-usual" climate scenario). Single-factor model experiments of CO2 fertilisation and climate change show generally similar directions of the responses of C-N interactions, compared to the C-only version of the model as documented in previous studies using other global models. Under an RCP 8.5 scenario, nitrogen limitation suppresses potential CO2 fertilisation, reducing the cumulative net ecosystem carbon uptake between 1850 and 2100 by 61%, and soil warming-induced increase in nitrogen mineralisation reduces terrestrial carbon loss by 31%. When environmental changes are considered conjointly, carbon sequestration is limited by nitrogen dynamics up to the present. However, during the 21st century, nitrogen dynamics induce a net increase in carbon sequestration, resulting in an overall larger carbon uptake of 17% over the full period. This contrasts with previous results with other global models that have shown an 8 to 37% decrease in carbon uptake relative to modern baseline conditions. Implications for the plausibility of earlier projections of future terrestrial C dynamics based on C-only models are discussed.

  15. Multi-century Changes to Global Climate and Carbon Cycle: Results from a Coupled Climate and Carbon Cycle Model

    SciTech Connect

    Bala, G; Caldeira, K; Mirin, A; Wickett, M; Delire, C

    2005-02-17

    In this paper, we use a coupled climate and carbon cycle model to investigate the global climate and carbon cycle changes out to year 2300 that would occur if CO{sub 2} emissions from all the currently estimated fossil fuel resources were released to the atmosphere. By year 2300, the global climate warms by about 8 K and atmospheric CO{sub 2} reaches 1423 ppmv. The warming is higher than anticipated because the sensitivity to radiative forcing increases as the simulation progresses. In our simulation, the rate of emissions peak at over 30 PgC yr{sup -1} early in the 22nd century. Even at year 2300, nearly 50% of cumulative emissions remain in the atmosphere. In our simulations both soils and living biomass are net carbon sinks throughout the simulation. Despite having relatively low climate sensitivity and strong carbon uptake by the land biosphere, our model projections suggest severe long-term consequences for global climate if all the fossil-fuel carbon is ultimately released to the atmosphere.

  16. Geochemistry of dissolved inorganic carbon in a Coastal Plain aquifer. 2. Modeling carbon sources, sinks, and δ13C evolution

    USGS Publications Warehouse

    McMahon, Peter B.; Chapelle, Francis H.

    1991-01-01

    Stable isotope data for dissolved inorganic carbon (DIC), carbonate shell material and cements, and microbial CO2 were combined with organic and inorganic chemical data from aquifer and confining-bed pore waters to construct geochemical reaction models along a flowpath in the Black Creek aquifer of South Carolina. Carbon-isotope fractionation between DIC and precipitating cements was treated as a Rayleigh distillation process. Organic matter oxidation was coupled to microbial fermentation and sulfate reduction. All reaction models reproduced the observed chemical and isotopic compositions of final waters. However, model 1, in which all sources of carbon and electron-acceptors were assumed to be internal to the aquifer, was invalidated owing to the large ratio of fermentation CO2 to respiration CO2 predicted by the model (5–49) compared with measured ratios (two or less). In model 2, this ratio was reduced by assuming that confining beds adjacent to the aquifer act as sources of dissolved organic carbon and sulfate. This assumption was based on measured high concentrations of dissolved organic acids and sulfate in confining-bed pore waters (60–100 μM and 100–380 μM, respectively) relative to aquifer pore waters (from less than 30 μM and 2–80 μM, respectively). Sodium was chosen as the companion ion to organic-acid and sulfate transport from confining beds because it is the predominant cation in confining-bed pore waters. As a result, excessive amounts of Na-for-Ca ion exchange and calcite precipitation (three to four times more cement than observed in the aquifer) were required by model 2 to achieve mass and isotope balance of final water. For this reason, model 2 was invalidated. Agreement between model-predicted and measured amounts of carbonate cement and ratios of fermentation CO2 to respiration CO2 were obtained in a reaction model that assumed confining beds act as sources of DIC, as well as organic acids and sulfate. This assumption was

  17. LOSCAR: Long-term Ocean-atmosphere-Sediment CArbon cycle Reservoir Model

    NASA Astrophysics Data System (ADS)

    Zeebe, R. E.

    2011-06-01

    The LOSCAR model is designed to efficiently compute the partitioning of carbon between ocean, atmosphere, and sediments on time scales ranging from centuries to millions of years. While a variety of computationally inexpensive carbon cycle models are already available, many are missing a critical sediment component, which is indispensable for long-term integrations. One of LOSCAR's strengths is the coupling of ocean-atmosphere routines to a computationally efficient sediment module. This allows, for instance, adequate computation of CaCO3 dissolution, calcite compensation, and long-term carbon cycle fluxes, including weathering of carbonate and silicate rocks. The ocean component includes various biogeochemical tracers such as total carbon, alkalinity, phosphate, oxygen, and stable carbon isotopes. We have previously published applications of the model tackling future projections of ocean chemistry and weathering, pCO2 sensitivity to carbon cycle perturbations throughout the Cenozoic, and carbon/calcium cycling during the Paleocene-Eocene Thermal Maximum. The focus of the present contribution is the detailed description of the model including numerical architecture, processes and parameterizations, tuning, and examples of input and output. Typical CPU integration times of LOSCAR are of order seconds for several thousand model years on current standard desktop machines. The LOSCAR source code in C can be obtained from the author by sending a request to loscar.model@gmail.com.

  18. Modeling the role of terrestrial ecosystems in the global carbon cycle

    SciTech Connect

    Emanuel, W.R.; Post, W.M.; Shugart, H.H. Jr.

    1980-01-01

    A model for the global biogeochemical cycle of carbon which includes a five-compartment submodel for circulation in terrestrial ecosystems of the world is presented. Although this terrestrial submodel divides carbon into compartments with more functional detail than previous models, the variability in carbon dynamics among ecosystem types and in different climatic zones is not adequately treated. A new model construct which specifically treats this variability by modeling the distribution of ecosystem types as a function of climate on a 0.5/sup 0/ latitude by 0.5/sup 0/ longitude scale of resolution is proposed.

  19. Modeling the above and below ground carbon and nitrogen stocks in northern high latitude terrestrial ecosystems

    NASA Astrophysics Data System (ADS)

    ElMasri, B.; Jain, A. K.

    2012-12-01

    Climate change is expected to cause warming in the northern high latitudes, but it is still uncertain what the respond of the northern high latitudes ecosystem will be to such warming. One of the biggest scientific questions is to determine whether northern high latitude ecosystem are or will act as a terrestrial carbon sink or source. Therefore, it is essential to understand and quantify the biogeochemical cycle of the northern high latitude ecosystems in order to predict their respond to climate change. Using a land surface model, the Integrated Science Assessment Model (ISAM) with its coupled carbon-nitrogen cycle, we provide a detail quantification of the carbon and nitrogen in the vegetation pools and the soil carbon for the northern high latitude ecosystems. We focus on soil carbon and vegetation carbon and nitrogen, though we provide results for gross primary production (GPP), autotrophic respiration (Ra), net primary production (NPP), net ecosystem exchange (NEE), and heterotrophic respiration (Rh). In addition, we examine the effect of nitrogen limitation on the carbon fluxes and soil carbon. We present the results for several flux tower sites representative of the tundra and the boreal ecosystems as well as for the northern high latitude region. Our results provide a comprehensive assessment of below and above ground carbon and nitrogen pools in the northern high latitude and the model calibrated parameters can be used to improve the results of other land surface models.

  20. North American Carbon Project (NACP) Regional Interim Synthesis: Terrestrial Biospheric Model Intercomparison

    SciTech Connect

    Huntzinger, Deborah; Post, W. M.; Wei, Yaxing; Michalak, A. M.; West, Tristram O.; Jacobson, Andy; Baker, Ian; Chen, Jing Ming; Davis, K. J.; Hayes, D. J.; Hoffman, F. M.; Jain, Atul K.; Liu, S.; McGuire, A. David; Neilson, R. P.; Potter, Christopher; Poulter, Benjamin; Price, David; Raczka, B. M.; Tian, Hanqin; Thornton, P.; Tomelleri, E.; Viovy, N.; Xiao, J.; Yuan, Wenping; Zeng, Ning; Zhao, M.; Cook, R. B.

    2012-05-10

    Understanding of carbon exchange between terrestrial ecosystems and the atmosphere can be improved through direct observations and experiments, as well as through modeling activities. Terrestrial biosphere models (TBMs) have become an integral tool for extrapolating local observations and understanding to much larger terrestrial regions. Although models vary in their specific goals and approaches, their central role within carbon cycle science is to provide a better understanding of the mechanisms currently controlling carbon exchange. Recently, the North American Carbon Program (NACP) organized several interim-synthesis activities to evaluate and inter-compare models and observations at local to continental scales for the years 2000 to 2005. Here, we compare the results from the TBMs collected as part of the regional and continental interim-synthesis (RCIS) activities. The primary objective of this work is to synthesize and compare the 19 participating TBMs to assess current understanding of the terrestrial carbon cycle in North America.

  1. Generation of saturation functions for simulation models of carbonate reservoirs

    NASA Astrophysics Data System (ADS)

    Huang, Qingfeng

    A rock type is the unit of rock deposited under similar conditions, which went through similar diagenetic processes, producing analogous rock fabric, with distinct set of pore types, and pore throat size distribution, having specific range of porosity and permeability. Rock typing can generally be used as a guide to assign petrophysical characteristics to different zones for detailed reservoir characterization, modeling and simulation, which provide valid frames for reservoir development. It is often assumed that conventional rock types are capable of assigning multiphase flow characteristics, such as capillary pressure and relative permeability to the cells of dynamic simulation models. However, these conventional rock types, or static reservoir rock types (SRRT) fail to capture the actual variability of capillary pressure and relative permeability, due to lack of representation of wettability difference at different elevation above the free water level (FWL) in carbonate reservoirs, especially in the highly heterogeneous reservoirs. This should be resolved through dynamic reservoir rock types (DRRT), in which wettability effect is imposed on the SRRTs to generate saturation functions for simulation models. This research studies Ghedan's comprehensive DRRT model7, and proposes a modified Ghedan's model. First, the defined static rock types are sub-divided into sub-static rock types based on porosity frequency. Second, three curve-fitting programs are coded to generate the related saturation-height functions. These are the modified Ghedan-Okuyiga equation, Cuddy function and Power Law function. Developed from Ghedan-Okuyiga function113, the recommended modified Ghedan-Okuyiga function has been proposed with saturation and implicit porosity as a function of height above FWL in the transition zone. Third, each sub-static rock type is divided into a number of DRRTs by determining the capillary pressure and relative permeability curves in the oil zone from gas

  2. Model structure and parameter identification in soil carbon models using incubation data

    NASA Astrophysics Data System (ADS)

    Sierra, Carlos

    2015-04-01

    Models of soil organic matter dynamics play an important role in integrating different sources of information and help to predict future behavior of carbon stocks and fluxes in soils. In particular, compartment-based models have proved successful at integrating data from laboratory and field experiments to estimate the range of cycling rates of organic matter found in different soils. Complex models with particular mechanisms explaining processes related to the stabilization and destabilization of organic matter usually include a large number of parameters than simpler models that omit detailed mechanisms. This poses a challenge to parameterize complex models. Depending on the type of data available, the estimation of parameters in complex models may lead to identifiability problems, i.e. obtaining different combinations of parameters that give equally good predictions in relation to the observed data. In this contribution, I explore the problem of identifiability in soil organic matter models, pointing out combinations of empirical data and model structure that can minimize identifiability issues. In particular, I will show how common datasets from incubation experiments can only help to uniquely identify small number of parameters for simple models. Isotopic data and soil fractionations can help to reduce identifiability issues, but only to a limited extend. In medium-complexity models including stabilization and destabilization mechanisms, only up to 4 to 5 parameters may be uniquely identified when a full set of respiration fluxes, stocks, fractions and isotopic data are integrated to inform parameter estimation.

  3. Growth model of bamboo-shaped carbon nanotubes by thermal chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Lee, Cheol Jin; Park, Jeunghee

    2000-11-01

    Vertically aligned carbon nanotubes were grown on iron-deposited silicon oxide substrate by thermal chemical vapor deposition of acetylene. The carbon nanotubes have no encapsulated iron particles at the closed tip and a bamboo structure in which the curvature of compartment layers is directed to the tip. A base growth model is suggested for the bamboo-shaped carbon nanotubes grown under our experimental conditions.

  4. The Joint UK Land Environment Simulator (JULES), model description - Part 2: Carbon fluxes and vegetation dynamics

    NASA Astrophysics Data System (ADS)

    Clark, D. B.; Mercado, L. M.; Sitch, S.; Jones, C. D.; Gedney, N.; Best, M. J.; Pryor, M.; Rooney, G. G.; Essery, R. L. H.; Blyth, E.; Boucher, O.; Harding, R. J.; Huntingford, C.; Cox, P. M.

    2011-09-01

    The Joint UK Land Environment Simulator (JULES) is a process-based model that simulates the fluxes of carbon, water, energy and momentum between the land surface and the atmosphere. Many studies have demonstrated the important role of the land surface in the functioning of the Earth System. Different versions of JULES have been employed to quantify the effects on the land carbon sink of climate change, increasing atmospheric carbon dioxide concentrations, changing atmospheric aerosols and tropospheric ozone, and the response of methane emissions from wetlands to climate change. This paper describes the consolidation of these advances in the modelling of carbon fluxes and stores, in both the vegetation and soil, in version 2.2 of JULES. Features include a multi-layer canopy scheme for light interception, including a sunfleck penetration scheme, a coupled scheme of leaf photosynthesis and stomatal conductance, representation of the effects of ozone on leaf physiology, and a description of methane emissions from wetlands. JULES represents the carbon allocation, growth and population dynamics of five plant functional types. The turnover of carbon from living plant tissues is fed into a 4-pool soil carbon model. The process-based descriptions of key ecological processes and trace gas fluxes in JULES mean that this community model is well-suited for use in carbon cycle, climate change and impacts studies, either in standalone mode or as the land component of a coupled Earth system model.

  5. Model Effects on GLAS-Based Regional Estimates of Forest Biomass and Carbon

    NASA Technical Reports Server (NTRS)

    Nelson, Ross

    2008-01-01

    ICESat/GLAS waveform data are used to estimate biomass and carbon on a 1.27 million sq km study area. the Province of Quebec, Canada, below treeline. The same input data sets and sampling design are used in conjunction with four different predictive models to estimate total aboveground dry forest biomass and forest carbon. The four models include nonstratified and stratified versions of a multiple linear model where either biomass or (square root of) biomass serves as the dependent variable. The use of different models in Quebec introduces differences in Provincial biomass estimates of up to 0.35 Gt (range 4.942+/-0.28 Gt to 5.29+/-0.36 Gt). The results suggest that if different predictive models are used to estimate regional carbon stocks in different epochs, e.g., y2005, y2015, one might mistakenly infer an apparent aboveground carbon "change" of, in this case, 0.18 Gt, or approximately 7% of the aboveground carbon in Quebec, due solely to the use of different predictive models. These findings argue for model consistency in future, LiDAR-based carbon monitoring programs. Regional biomass estimates from the four GLAS models are compared to ground estimates derived from an extensive network of 16,814 ground plots located in southern Quebec. Stratified models proved to be more accurate and precise than either of the two nonstratified models tested.

  6. A model ensemble for explaining the seasonal cycle of globally averaged atmospheric carbon dioxide concentration

    NASA Astrophysics Data System (ADS)

    Alexandrov, Georgii; Eliseev, Alexey

    2015-04-01

    The seasonal cycle of the globally averaged atmospheric carbon dioxide concentrations results from the seasonal changes in the gas exchange between the atmosphere and other carbon pools. Terrestrial pools are the most important. Boreal and temperate ecosystems provide a sink for carbon dioxide only during the warm period of the year, and, therefore, the summertime reduction in the atmospheric carbon dioxide concentration is usually explained by the seasonal changes in the magnitude of terrestrial carbon sink. Although this explanation seems almost obvious, it is surprisingly difficult to support it by calculations of the seasonal changes in the strength of the sink provided by boreal and temperate ecosystems. The traditional conceptual framework for modelling net ecosystem exchange (NEE) leads to the estimates of the NEE seasonal cycle amplitude which are too low for explaining the amplitude of the seasonal cycle of the atmospheric carbon dioxide concentration. To propose a more suitable conceptual framework we develop a model ensemble that consists of nine structurally different models and covers various approaches to modelling gross primary production and heterotrophic respiration, including the effects of light saturation, limited light use efficiency, limited water use efficiency, substrate limitation and microbiological priming. The use of model ensembles is a well recognized methodology for evaluating structural uncertainty of model-based predictions. In this study we use this methodology for exploratory modelling analysis - that is, to identify the mechanisms that cause the observed amplitude of the seasonal cycle of the atmospheric carbon dioxide concentration and its slow but steady growth.

  7. Oxidation of Carbon Fibers in a Cracked Ceramic Matrix Composite Modeled as a Function of Temperature

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Cawley, James D.; Eckel, Andrew J.

    2003-01-01

    The oxidation model simulates the oxidation of the reinforcing carbon fibers within a ceramic matrix composite material containing as-fabricated microcracks. The physics-based oxidation model uses theoretically and experimentally determined variables as input for the model. The model simulates the ingress of oxygen through microcracks into a two-dimensional plane within the composite material. Model input includes temperature, oxygen concentration, the reaction rate constant, the diffusion coefficient, and the crack opening width as a function of the mechanical and thermal loads. The model is run in an iterative process for a two-dimensional grid system in which oxygen diffuses through the porous and cracked regions of the material and reacts with carbon in short time steps. The model allows the local oxygen concentrations and carbon volumes from the edge to the interior of the composite to be determined over time. Oxidation damage predicted by the model was compared with that observed from microstructural analysis of experimentally tested composite material to validate the model for two temperatures of interest. When the model is run for low-temperature conditions, the kinetics are reaction controlled. Carbon and oxygen reactions occur relatively slowly. Therefore, oxygen can bypass the carbon near the outer edge and diffuse into the interior so that it saturates the entire composite at relatively high concentrations. The kinetics are limited by the reaction rate between carbon and oxygen. This results in an interior that has high local concentrations of oxygen and a similar amount of consumed carbon throughout the cross section. When the model is run for high-temperature conditions, the kinetics are diffusion controlled. Carbon and oxygen reactions occur very quickly. The carbon consumes oxygen as soon as it is supplied. The kinetics are limited by the relatively slow rate at which oxygen is supplied in comparison to the relatively fast rate at which carbon and

  8. Comparing Different Model Structures for Carbon Allocation in the Community Land Model (CLM)

    NASA Astrophysics Data System (ADS)

    Montane, F.; Fox, A. M.; Arellano, A. F.; Scaven, V. L.; Alexander, M. R.; Moore, D. J.

    2015-12-01

    Quantifying the intensity of feedback mechanisms between terrestrial ecosystems and climate is a central challenge for understanding the global carbon cycle. Part of this challenge includes understanding how climate affects not only NPP, but also C allocation in different plant tissues (leaves, stem and roots) which determines the C residence time. For instance, C could be sequestered over longer time periods if changes in climate increase allocation to long-lived plant tissue (e.g. woody components) with respect to short-lived tissues (e.g. leaves). Networks of eddy covariance towers like AmeriFlux provide the infrastructure necessary to study relationships between ecosystem processes and climate forcing. We ran the Community Land Model (CLM) for six temperate forests in North America (AmeriFlux sites) using different model structures for the C allocation module: i) standard carbon allocation module in CLM, which allocates C to the stem and leaves as a dynamic function of NPP and with fixed coefficients for the rest of parameters; ii) alternative C allocation module, which allocates C to the root and stem as a dynamic function of NPP and with fixed coefficients for the rest of parameters; and iii) alternative C allocation module with fixed coefficients for all the parameters. We compare C allocation patterns and climate sensitivities betwen the different model structures and available observations for the sites. We suggest some future approaches to reduce model uncertainty in the current scheme for C allocation in CLM and its climate sensitivity.

  9. Ecosystem carbon storage capacity as affected by disturbance regimes: A general theoretical model

    NASA Astrophysics Data System (ADS)

    Weng, Ensheng; Luo, Yiqi; Wang, Weile; Wang, Han; Hayes, Daniel J.; McGuire, A. David; Hastings, Alan; Schimel, David S.

    2012-09-01

    Disturbances have been recognized as a key factor shaping terrestrial ecosystem states and dynamics. A general model that quantitatively describes the relationship between carbon storage and disturbance regime is critical for better understanding large scale terrestrial ecosystem carbon dynamics. We developed a model (REGIME) to quantify ecosystem carbon storage capacities (E[x]) under varying disturbance regimes with an analytical solution E[x] = U · τE · ?, where U is ecosystem carbon influx, τE is ecosystem carbon residence time, and τ1 is the residence time of the carbon pool affected by disturbances (biomass pool in this study). The disturbance regime is characterized by the mean disturbance interval (λ) and the mean disturbance severity (s). It is a Michaelis-Menten-type equation illustrating the saturation of carbon content with mean disturbance interval. This model analytically integrates the deterministic ecosystem carbon processes with stochastic disturbance events to reveal a general pattern of terrestrial carbon dynamics at large scales. The model allows us to get a sense of the sensitivity of ecosystems to future environmental changes just by a few calculations. According to the REGIME model, for example, approximately 1.8 Pg C will be lost in the high-latitude regions of North America (>45°N) if fire disturbance intensity increases around 5.7 time the current intensity to the end of the twenty-first century, which will require around 12% increases in net primary productivity (NPP) to maintain stable carbon stocks. If the residence time decreased 10% at the same time additional 12.5% increases in NPP are required to keep current C stocks. The REGIME model also lays the foundation for analytically modeling the interactions between deterministic biogeochemical processes and stochastic disturbance events.

  10. Ecosystem carbon storage capacity as affected by disturbance regimes: a general theoretical model

    NASA Astrophysics Data System (ADS)

    Weng, E.; Luo, Y.; Wang, W.; Wang, H.; Hayes, D. J.; McGuire, A. D.; Hastings, A.; Schimel, D.

    2012-12-01

    Disturbances have been recognized as a key factor shaping terrestrial ecosystem states and dynamics. A general model that quantitatively describes the relationship between carbon storage and disturbance regime is critical for better understanding large scale terrestrial ecosystem carbon dynamics. We developed a model (REGIME) to quantify ecosystem carbon storage capacities (E[x]) under varying disturbance regimes with an analytical solution E[x]=UτE λ/(λ+sτ1) , where U is ecosystem carbon influx, τE is ecosystem carbon residence time, and τ1 is the residence time of the carbon pool affected by disturbances (biomass pool in this study). The disturbance regime is characterized by the mean disturbance interval (λ) and the mean disturbance severity (s). It is a Michaelis-Menten type equation illustrating the saturation of carbon content with mean disturbance interval. This model analytically integrates the deterministic ecosystem carbon processes with stochastic disturbance events to reveal a general pattern of terrestrial carbon dynamics at large scales. The model allows us to get a sense of the sensitivity of ecosystems to future environmental changes just by a few calculations. According to the REGIME model , for example, approximately 1.8 Pg C will be lost in the high latitude regions of North America (>45°N) if fire disturbance intensity increases around 5.7 time the current intensity to the end of 21st century, which will require around 12% increases in NPP to maintain stable carbon stocks. If the residence time decreased 10% at the same time additional 12.5% increases in NPP are required to keep current C stocks. The REGIME model also lays the foundation for analytically modeling the interactions between deterministic biogeochemical processes and stochastic disturbance events.

  11. Ecosystem carbon storage capacity as affected by disturbance regimes: A general theoretical model

    SciTech Connect

    Weng, Ensheng; Luo, Yiqi; Wang, Weile; Wang, Han; Hayes, Daniel J; McGuire, A. David; Hastings, Alan; Schimel, David

    2012-01-01

    Disturbances have been recognized as a key factor shaping terrestrial ecosystem states and dynamics. A general model that quantitatively describes the relationship between carbon storage and disturbance regime is critical for better understanding large scale terrestrial ecosystem carbon dynamics. We developed a model (REGIME) to quantify ecosystem carbon storage capacities (E[x]) under varying disturbance regimes with an analytical solution E[x] = U {center_dot} {tau}{sub E} {center_dot} {lambda}{lambda} + s {tau} 1, where U is ecosystem carbon influx, {tau}{sub E} is ecosystem carbon residence time, and {tau}{sub 1} is the residence time of the carbon pool affected by disturbances (biomass pool in this study). The disturbance regime is characterized by the mean disturbance interval ({lambda}) and the mean disturbance severity (s). It is a Michaelis-Menten-type equation illustrating the saturation of carbon content with mean disturbance interval. This model analytically integrates the deterministic ecosystem carbon processes with stochastic disturbance events to reveal a general pattern of terrestrial carbon dynamics at large scales. The model allows us to get a sense of the sensitivity of ecosystems to future environmental changes just by a few calculations. According to the REGIME model, for example, approximately 1.8 Pg C will be lost in the high-latitude regions of North America (>45{sup o} N) if fire disturbance intensity increases around 5.7 time the current intensity to the end of the twenty-first century, which will require around 12% increases in net primary productivity (NPP) to maintain stable carbon stocks. If the residence time decreased 10% at the same time additional 12.5% increases in NPP are required to keep current C stocks. The REGIME model also lays the foundation for analytically modeling the interactions between deterministic biogeochemical processes and stochastic disturbance events.

  12. Correspondence Between Long Term Carbon Sequestration and Measurable Variables in a Global Land Surface Model

    NASA Astrophysics Data System (ADS)

    Gerber, S.; Muller, S. J.

    2014-12-01

    The response of net atmosphere-land carbon exchange under future warming and increasing CO2 is key to the projection of future climate change. However, current land-surface model differ widely in their prediction of the land carbon sink by 2100. These models are increasingly complex and entail a large array of mechanisms. Consequently, the number of "knobs"(i.e. model parameters) available to tune model results has increased drastically. In principal, objectively tuning all parameters of a model to the measurements at hand should yield a best configuration. But in practice, it is important to know structure of data that helps best to improve a model's long-term carbon sink trajectory; or alternatively whether there are variables where a model data mismatch would not necessarily compromise the model outcome. We performed a sensitivity analysis of LM3VN, a land surface model with a prognostic nitrogen cycle, by varying 60 parameters, and checked for correspondence between the sensitivity of the model's long-term (1850-2100) carbon sink and contemporary (1980-2006) calibration variables. We found, that few parameters had a strong impact on the long term carbon sequestration, showing that the model entails a number of negative feedbacks. Importantly, the parameters to which the model was most sensitive were found to vary between individual gridcells, supporting the idea of point-specific and regional model assessment. The model's prediction of the current total carbon inventory correlated well with the prediction of the long term carbon sink, indicating that evaluation of models against current carbon inventories could improve their prediction of carbon sequestration over the this century, although the aggregation of such data is challenging. A promising correspondence is that of the interannual variability of net carbon exchange, we found this the correlation to be significant in a majority of gridcells (73%) but weak if globally aggregated. Overall, such targeted

  13. Random vs realistic amorphous carbon models for high resolution microscopy and electron diffraction

    SciTech Connect

    Ricolleau, C. Alloyeau, D.; Le Bouar, Y.; Amara, H.; Landon-Cardinal, O.

    2013-12-07

    Amorphous carbon and amorphous materials in general are of particular importance for high resolution electron microscopy, either for bulk materials, generally covered with an amorphous layer when prepared by ion milling techniques, or for nanoscale objects deposited on amorphous substrates. In order to quantify the information of the high resolution images at the atomic scale, a structural modeling of the sample is necessary prior to the calculation of the electron wave function propagation. It is thus essential to be able to reproduce the carbon structure as close as possible to the real one. The approach we propose here is to simulate a realistic carbon from an energetic model based on the tight-binding approximation in order to reproduce the important structural properties of amorphous carbon. At first, we compare this carbon with the carbon obtained by randomly generating the carbon atom positions. In both cases, we discuss the limit thickness of the phase object approximation. In a second step, we show the influence of both carbons models on (i) the contrast of Cu, Ag, and Au single atoms deposited on carbon and (ii) the determination of the long-range order parameter in CoPt bimetallic nanoalloys.

  14. A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

    SciTech Connect

    Leclerc, Monique Y.

    2014-11-17

    This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impact on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.

  15. Carbon deposition model for oxygen-hydrocarbon combustion, volume 1

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at pressures of 1000 to 1500 psia. No carbon deposition on the chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational consequences of carbon deposition on preburner/gas generator performance. The report is in two volumes, of which this is Volume 1 covering the main body of the report plus Appendixes A through D.

  16. Carbon Deposition Model for Oxygen-Hydrocarbon Combustion, Volume 2

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at chamber pressures of 1000 to 1500 psia. No carbon deposition on chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational concequences of carbon deposition on preburner/gas generator performance. This is Volume 2 of the report, which contains data plots of all the test programs.

  17. A coupled model for carbon and radiocarbon evolution during the last deglaciation

    NASA Astrophysics Data System (ADS)

    Mariotti, Véronique; Paillard, Didier; Bopp, Laurent; Roche, Didier M.; Bouttes, Nathaëlle

    2016-02-01

    Changes in the ventilation of the Southern Ocean are thought to play an important role on deglacial carbon and radiocarbon evolution but have not been tested within a coupled climate-carbon model. Here we present such a simulation based on a simple scenario of transient deglacial sinking of brines—sea ice salt rejections—around Antarctica, which modulates Southern Ocean ventilation. This experiment is able to reproduce deglacial atmospheric changes in carbon and radiocarbon and also ocean radiocarbon records measured in the Atlantic, Southern, and Pacific Oceans. Simulated for the first time in a fully coupled climate-carbon model of intermediate complexity including radiocarbon, our modeling results suggest that the deglacial changes in atmospheric carbon dioxide and radiocarbon were achieved by means of a breakdown in the glacial brine-induced stratification of the Southern Ocean.

  18. Changes in the carbon cycle of northern Eurasia simulated by process models

    NASA Astrophysics Data System (ADS)

    Rawlins, M. A.

    2013-12-01

    Pronounced warming across the northern high latitudes is impacting water and carbon cycles and raising concern over possible feedbacks to global climate. Recent model studied point toward a weakening of the terrestrial land carbon sink across the northern high latitudes, one notable manifestation of a warming Arctic. We explore links between regional climate and the carbon cycle using data from models participating in the Vulnerability of Permafrost Carbon Research Coordination Network (RCN). The domain of interest is the drainage basin within the Northern Eurasia Earth Science Partnership Initiative (NEESPI) region. Model outputs examined include gross primary production (GPP), heterotrophic respiration (RH), net ecosystem exchange (NEE), and total soil carbon storage. Mean flux budgets and their changes over the period 1960-2009 are calculated from the model estimates for the entire NEESPI region and for each major land cover category within the region. Use of an independent model, which captures well the spatial pattern in soil freeze/thaw dynamics, indicates that the reduction in permafrost extent over the NEESPI basin was 4-6% over recent decades. Modeled influences of permafrost thaw on the region's water and carbon cycles are evaluated in the context of recent measurements. Estimates of the flux of CO2 due to fire are also examined in order to better understand how these disturbances are altering regional carbon sink/source dynamics.

  19. Modeling of carbon and nitrogen gaseous emissions from cattle manure compost windrows

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Windrow composting of cattle manure is a significant source of gaseous emissions, which include ammonia (NH3) and the greenhouse gases (GHGs) of carbon dioxide (CO2), methane (CH4), and nitrous oxide (N2O). A manure compost model was developed to simulate carbon (C) and nitrogen (N) processes includ...

  20. EPIC modeling of soil organic carbon sequestration in croplands of Iowa

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Agricultural lands can mitigate detrimental effects of greenhouse gases because soils can be managed to reduce carbon dioxide emissions and sequester carbon in soil organic matter. Simulation models are useful tools for studying the long-term impacts of crop and soil management practices on soil org...

  1. Model for the Effect of Fiber Bridging on the Fracture Resistance of Reinforced-Carbon-Carbon

    NASA Technical Reports Server (NTRS)

    Chan, Kwai S.; Lee, Yi-Der; Hudak, Stephen J., Jr.

    2009-01-01

    A micromechanical methodology has been developed for analyzing fiber bridging and resistance-curve behavior in reinforced-carbon-carbon (RCC) panels with a three-dimensional (3D) composite architecture and a silicon carbide (SiC) surface coating. The methodology involves treating fiber bridging traction on the crack surfaces in terms of a weight function approach and a bridging law that relates the bridging stress to the crack opening displacement. A procedure has been developed to deduce material constants in the bridging law from the linear portion of the K-resistance curve. This report contains information on the application of procedures and outcomes.

  2. Deterministic Modelling of Carbon Nanotube Near-Infrared Solar Cells

    NASA Astrophysics Data System (ADS)

    Bellisario, Darin

    2015-03-01

    With solution-process-ability, scale-able fabrication and purification, and cheap input materials, semiconducting single-walled carbon nanotube (SWNT) networks represent promising materials for near-IR solar cell (SC) applications. This promise has motivated a body of work not only developing solar cells but also exploring alignment/deposition methods and SWNT photovoltaic (PV) physics. Despite this interest, there is to date no quantitative model of SWNT solar cell operation analogous to bulk semiconductor p-n junction PVs, allowing a rigorous understanding of the physical tradeoffs driving experimental observations and informing what research will enable technological progress. In this work we have derived the steady state operation of planar heterojunction SWNT PVs from the fundamental light absorption, exciton transport, and free carrier transport behaviors of single nanotubes. Our method can treat arbitrary distributions of nanotube chiralities, lengths, orientations, defect types and concentration, bundle fraction and size, density, dielectric environment, electrode combinations, etc. We achieve this by treating individual SWNT properties as random variables, and describing the network by the dependent distributions of those properties, yielding coupled stochastic differential equations for light absorption, exciton transport, and free carrier transport. Applying the model to monochiral (6,5) films in aligned and isotropic configurations, we find that there is a strongly optimal film thickness at a given nanotube network density and orientation, reflecting an inherent tradeoff between light absorption (i.e. exciton generation) and diffusion to the electrodes. This optimal shifts lower with increasing density, and is ultra-thin (<10 nm) for horizontally-aligned films but 50-200 nm for vertically aligned films. We show that due to weak inter-SWNT exciton transport relative to exceptional intra-SWNT diffusion, vertically-aligned films are unambiguously favored

  3. Visualization of deflagration-to-detonation transitions in a channel with repeated obstacles using a hydrogen-oxygen mixture

    NASA Astrophysics Data System (ADS)

    Maeda, S.; Minami, S.; Okamoto, D.; Obara, T.

    2016-05-01

    The deflagration-to-detonation transition in a 100 mm square cross-section channel was investigated for a highly reactive stoichiometric hydrogen oxygen mixture at 70 kPa. Obstacles of 5 mm width and 5, 10, and 15 mm heights were equally spaced 60 mm apart at the bottom of the channel. The phenomenon was investigated primarily by time-resolved schlieren visualization from two orthogonal directions using a high-speed video camera. The detonation transition occurred over a remarkably short distance within only three or four repeated obstacles. The global flame speed just before the detonation transition was well below the sound speed of the combustion products and did not reach the sound speed of the initial unreacted gas for tests with an obstacle height of 5 and 10 mm. These results indicate that a detonation transition does not always require global flame acceleration beyond the speed of sound for highly reactive combustible mixtures. A possible mechanism for this detonation initiation was the mixing of the unreacted and reacted gas in the vicinity of the flame front convoluted by the vortex present behind each obstacle, and the formation of a hot spot by the shock wave. The final onset of the detonation originated from the unreacted gas pocket, which was surrounded by the obstacle downstream face and the channel wall.

  4. Combined effects of vortex flow and the Shchelkin spiral dimensions on characteristics of deflagration-to-detonation transition

    NASA Astrophysics Data System (ADS)

    Asato, K.; Miyasaka, T.; Watanabe, Y.; Tanabashi, K.

    2013-07-01

    The objective of this investigation was to achieve the shortest possible distance for the deflagration-to-detonation transition (DDT) for a pulse detonation engine without losing the engine's simplicity. The effects of rapid flame propagation, rotating velocity, and Shchelkin spiral dimensions in the vortex flow (VF) on DDT characteristics were examined. A VF field was established in the ignition and transition domains of a detonation tube using a VF-type injector. The flame propagation in the ignition domain was observed by a high-speed video camera and the detonation propagation process was observed by measuring the pressure and ionization current in the detonation tube. The DDT distance in the VF could be shortened by 50-57 % of that in the counterflow by optimizing the VF and the Shchelkin spiral dimensions. The shortening effect became remarkable as the rotating velocity increased. The governing factors for this effect are considered to be the formation of an area of higher energy density in the ignition domain of the tube, as well as flame acceleration due to rapid flame propagation in the VF and turbulence promotion near the tube wall by the rotating velocity and the Shchelkin spiral in the transition domain of the tube. However, the combined effects of VF and the Shchelkin spiral on the shortening of the DDT distance were deteriorated in very strong turbulence. It is necessary to optimize the rotating velocity and dimensions of the Shchelkin spiral to achieve the shortest possible distance of DDT in the VF.

  5. [Determination of reaction products of epoxypropane in the process of deflagration to detonation transition by emission spectroscopy].

    PubMed

    Li, Ping; Hu, Dong; Yuan, Chang-Ying; Xiao, Hai-Bo; Liu, Jun-Chao; Sun, Zhu-Mei; Dong, Shi

    2005-12-01

    After solving problems of the synchronization of the measuring system, the detection of weak light, and the avoidance of false trigger signal, the instantaneous emission spectra of epoxypropane in the process of deflagration to detonation transition (DDT) with the exposure time of 1-16 micros and the resolution of 0.2 nm were measured. The spectra were acquired from side windows of an explosion shock tube 0.1 m in inner diameter and 4.0 m in length. The measuring system is made up of an intensified spectroscopic detector ICCD, a SpectraPro-275 spectrograph, and a digital delay generator DG535. By analyzing the spectra obtained, the reaction products OH, CH, C2, C3, CO, CO2, CHO and CH2O were identified according to their characteristic electronic and vibrational bands, which indicates that these molecules and radicals were produced during the DDT process of epoxypropane. The determination of reaction products can provide experimental basis for analyzing and understanding the microscopic mechanism of DDT process. PMID:16544471

  6. Fiber Grating Sensor System to Measure Velocity, Position, Pressure, and Temperature during Burn, Deflagration and Detonation of Highly Energetic Events

    NASA Astrophysics Data System (ADS)

    Udd, Eric

    2013-06-01

    A novel very high speed fiber grating sensor system has been used to support velocity, position, temperature and pressure measurements during burn, deflagration and detonation of energetic materials including explosives and rocket propellant in Russian DDT tests. For the first time the system has been demonstrated in card gap testing and has allowed real time measurements of the position of the blast front into the card gap and monitoring of pressure at key locations in the card gap test. Fiber grating sensors are capable of providing a continuous measurement of the position, velocity, local pressure and temperature of energetic materials during the early stages of detonation and the transition to full detonation represents a significant advance in diagnostic capabilities. These measurements provide insight into this dynamic regime detonation physics. Continuous velocity and burn back position measurements are significantly more accurate in determining this run-up in velocity relative to single point measurements which yield only the average velocity measurement between the individual pin placement points. This work describes the first demonstration of this technology to card gap testing.

  7. DEFLAGRATION-TO-DETONATION TRANSITION IN LX-04 AS A FUNCTION OF LOADING DENSITY, TEMPERATURE, AND CONFINEMENT

    SciTech Connect

    Sandusky, H W; Granholm, R H; Bohl, D G; Hare, D E; Vandersall, K S; Garcia, F

    2005-06-01

    The potential for deflagration-to-detonation transition (DDT) in LX-04 (85/15 HMX/Viton) is being evaluated as a function of loading density, temperature, and confinement. In the high confinement arrangement, a matrix of tests will be performed with the LX-04 loaded at {approx}50, 70, 90, and {approx}99 %TMD; and temperatures of ambient, 160 C, and 190 C, at each loading density. A more limited set of tests at medium confinement will be conducted. As expected, LX-04 does not undergo DDT at near TMD loadings in both medium and high confinement, although the later still results in significant fragmentation. In high confinement at pour density (50.3 %TMD), LX-04 does not transit to detonation at 160 C, but does at ambient and 190 C with the shortest run distance to detonation (l) at ambient temperature. With a 70% TMD loading at ambient temperature, l was even less. The limited ambient temperature measurements for l in high confinement are similar to previous data for 91/9 HMX/wax, which has nearly the same %volume of HMX as LX-04.

  8. DEFLAGRATION-TO-DETONATION TRANSITION IN LX-04 AS A FUNCTION OF LOADING DENSITY, TEMPERATURE, AND CONFINEMENT

    SciTech Connect

    Sandusky, H W; Granholm, R H; Bohl, D G; Vandersall, K S; Hare, D E; Garcia, F

    2006-06-20

    The potential for deflagration-to-detonation transition (DDT) in LX-04 (85/15 HMX/Viton) is being evaluated as a function of loading density, temperature, and confinement. In the high confinement arrangement, a matrix of tests is nearly completed with the LX-04 loaded at {approx} 51, 70, 90, and {approx} 99% of theoretical maximum density (TMD); and temperatures of ambient, 160 C, and 190 C at each loading density. A more limited set of tests with {approx}99 %TMD loadings at medium confinement were conducted at temperatures of ambient and 186 C. LX-04 does not undergo DDT at near TMD loadings in both medium and high confinement, although the latter still results in significant fragmentation. Most porous beds in high confinement undergo DDT, with the minimum run distance to detonation (l) for a 70 %TMD loading at ambient temperature. LX-04 does not transit to detonation for a pour density (51.3 %TMD) loading at 160 C, but does at 190 C with a longer l than at ambient. The limited ambient temperature measurements for l in high confinement are similar to previous data for 91/9 HMX/wax, which has nearly the same %volume of HMX as LX-04.

  9. Factors influencing anthropogenic carbon dioxide uptake in the North Atlantic in models of the ocean carbon cycle

    SciTech Connect

    Smith, R.S.; Marotzke, J.

    2008-09-30

    The uptake and storage of anthropogenic carbon in the North Atlantic is investigated using different configurations of ocean general circulation/carbon cycle models. We investigate how different representations of the ocean physics in the models, which represent the range of models currently in use, affect the evolution of CO{sub 2} uptake in the North Atlantic. The buffer effect of the ocean carbon system would be expected to reduce ocean CO{sub 2} uptake as the ocean absorbs increasing amounts of CO{sub 2}. We find that the strength of the buffer effect is very dependent on the model ocean state, as it affects both the magnitude and timing of the changes in uptake. The timescale over which uptake of CO{sub 2} in the North Atlantic drops to below preindustrial levels is particularly sensitive to the ocean state which sets the degree of buffering; it is less sensitive to the choice of atmospheric CO{sub 2} forcing scenario. Neglecting physical climate change effects, North Atlantic CO{sub 2} uptake drops below preindustrial levels between 50 and 300 years after stabilisation of atmospheric CO{sub 2} in different model configurations. Storage of anthropogenic carbon in the North Atlantic varies much less among the different model configurations, as differences in ocean transport of dissolved inorganic carbon and uptake of CO{sub 2} compensate each other. This supports the idea that measured inventories of anthropogenic carbon in the real ocean cannot be used to constrain the surface uptake. Including physical climate change effects reduces anthropogenic CO{sub 2} uptake and storage in the North Atlantic further, due to the combined effects of surface warming, increased freshwater input, and a slowdown of the meridional overturning circulation. The timescale over which North Atlantic CO{sub 2} uptake drops to below preindustrial levels is reduced by about one-third, leading to an estimate of this timescale for the real world of about 50 years after the stabilisation

  10. Global Biogeochemistry Models and Global Carbon Cycle Research at Lawrence Livermore National Laboratory

    SciTech Connect

    Covey, C; Caldeira, K; Guilderson, T; Cameron-Smith, P; Govindasamy, B; Swanston, C; Wickett, M; Mirin, A; Bader, D

    2005-05-27

    The climate modeling community has long envisioned an evolution from physical climate models to ''earth system'' models that include the effects of biology and chemistry, particularly those processes related to the global carbon cycle. The widely reproduced Box 3, Figure 1 from the 2001 IPCC Scientific Assessment schematically describes that evolution. The community generally accepts the premise that understanding and predicting global and regional climate change requires the inclusion of carbon cycle processes in models to fully simulate the feedbacks between the climate system and the carbon cycle. Moreover, models will ultimately be employed to predict atmospheric concentrations of CO{sub 2} and other greenhouse gases as a function of anthropogenic and natural processes, such as industrial emissions, terrestrial carbon fixation, sequestration, land use patterns, etc. Nevertheless, the development of coupled climate-carbon models with demonstrable quantitative skill will require a significant amount of effort and time to understand and validate their behavior at both the process level and as integrated systems. It is important to consider objectively whether the currently proposed strategies to develop and validate earth system models are optimal, or even sufficient, and whether alternative strategies should be pursued. Carbon-climate models are going to be complex, with the carbon cycle strongly interacting with many other components. Off-line process validation will be insufficient. As was found in coupled atmosphere-ocean GCMs, feedbacks between model components can amplify small errors and uncertainties in one process to produce large biases in the simulated climate. The persistent tropical western Pacific Ocean ''double ITCZ'' and upper troposphere ''cold pole'' problems are examples. Finding and fixing similar types of problems in coupled carbon-climate models especially will be difficult, given the lack of observations required for diagnosis and validation

  11. Estimates of live-tree carbon stores in the Pacific Northwest are sensitive to model selection

    PubMed Central

    2011-01-01

    Background Estimates of live-tree carbon stores are influenced by numerous uncertainties. One of them is model-selection uncertainty: one has to choose among multiple empirical equations and conversion factors that can be plausibly justified as locally applicable to calculate the carbon store from inventory measurements such as tree height and diameter at breast height (DBH). Here we quantify the model-selection uncertainty for the five most numerous tree species in six counties of northwest Oregon, USA. Results The results of our study demonstrate that model-selection error may introduce 20 to 40% uncertainty into a live-tree carbon estimate, possibly making this form of error the largest source of uncertainty in estimation of live-tree carbon stores. The effect of model selection could be even greater if models are applied beyond the height and DBH ranges for which they were developed. Conclusions Model-selection uncertainty is potentially large enough that it could limit the ability to track forest carbon with the precision and accuracy required by carbon accounting protocols. Without local validation based on detailed measurements of usually destructively sampled trees, it is very difficult to choose the best model when there are several available. Our analysis suggests that considering tree form in equation selection may better match trees to existing equations and that substantial gaps exist, in terms of both species and diameter ranges, that are ripe for new model-building effort. PMID:21477353

  12. Evaluation of Land-Surface Models with GOSAT Carbon Dioxide Measurements

    NASA Astrophysics Data System (ADS)

    O'Dell, C.; Lindqvist, H.; Cheeseman, M.; Schuh, A. E.; Baker, D. F.; Baker, I. T.; Haynes, K. D.; Denning, A. S.; Collatz, G. J.; Chevallier, F.; Frankenberg, C.

    2014-12-01

    The Greenhouse Gases Observing Satellite (GOSAT) was launched in 2009, with a primary mission to better understand net fluxes of carbon dioxide on regional scales. However, this effort has been hampered not only by uncertainties and biases in the satellite retrievals of column-mean CO2 concentrations (XCO2), but also issues on the inverse modeling side into which the measurements are fed to derive fluxes. These issues include transport model errors, incorrect or unfairly constrained prior fluxes, and issues related to the inversion scheme itself (such as temporal window length in EnKF systems). In this work, we avoid the full global inversions and explore the idea that existing GOSAT observations can help evaluate land-surface carbon flux through direct comparison with forward model simulations. In this work, we compare forward model simulations of several biosphere models to GOSAT observations from the Atmospheric Carbon Observations from Space (ACOS) retrieval system. These include two versions of the Simple Biosphere (SiB) model, the Carnegie-Ames Stanford Approach (CASA) model, and the Organizing Carbon and Hydrology in Dynamic Ecosystems (ORCHIDEE) model. We provide evidence that large model-data differences tend to be driven by differences in the assumed net surface fluxes rather than from transport model errors. Tropical land fluxes, poorly sampled by the in-situ network, can exhibit significant differences when compared to the satellite observations and point to the possibility that these satellite data could help drive direct improvements to the