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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

DOUBLE POWER LAWS IN THE EVENT-INTEGRATED SOLAR ENERGETIC PARTICLE SPECTRUM

A double power law or a power law with exponential rollover at a few to tens of MeV nucleon{sup −1} of the event-integrated differential spectra has been reported in many solar energetic particle (SEP) events. The rollover energies per nucleon of different elements correlate with a particle's charge-to-mass ratio (Q/A). The probable causes are suggested as residing in shock finite lifetimes, shock finite sizes, shock geometry, and an adiabatic cooling effect. In this work, we conduct a numerical simulation to investigate a particle's transport process in the inner heliosphere. We solve the focused transport equation using a time-backward Markov stochastic approach. The convection, magnetic focusing, adiabatic cooling effect, and pitch-angle scattering are included. The effects that the interplanetary turbulence imposes on the shape of the resulting SEP spectra are examined. By assuming a pure power-law differential spectrum at the Sun, a perfect double-power-law feature with a break energy ranging from 10 to 120 MeV nucleon{sup −1} is obtained at 1 au. We found that the double power law of the differential energy spectrum is a robust result of SEP interplanetary propagation. It works for many assumptions of interplanetary turbulence spectra that give various forms of momentum dependence of a particle's mean free path. The different spectral shapes in low-energy and high-energy ends are not just a transition from the convection-dominated propagation to diffusion-dominated propagation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ANISOTROPY OF TeV COSMIC RAYS AND OUTER HELIOSPHERIC BOUNDARIES

Cosmic rays in the energy range from about tens of GeV to several hundreds of TeV are observed on Earth, with an energy-dependent anisotropy of order 0.01%-0.1% and a consistent topology that appears to significantly change at higher energy. The nearest and most recent galactic cosmic-ray sources might stochastically dominate the observation and possibly explain a change in orientation of the anisotropy as a function of energy. However, the diffusion approximation is not able to explain its non-dipolar structure and, in particular, the significant contribution of small angular scale features. Particle propagation within the mean free path in the local interstellar medium might have a major role in determining the properties of galactic cosmic rays, such as their arrival distribution. In particular, scattering on perturbations induced in the local interstellar magnetic field by the heliosphere wake may cause a re-distribution of anisotropic cosmic rays below about 100 TeV toward the direction of the elongated heliotail and of the local interstellar magnetic field in the outer heliosphere. Such scattering processes are considered responsible for the observed TeV cosmic-ray global anisotropy and its fine angular structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Lipid Rafts: Buffers of Cell Membrane Physical Properties

Lateral organization of lipids in the cell membrane appears to be an ancient feature of the cell, given the existence of lipid rafts in both eukaryotic and prokaryotic cells. Currently seen as platforms for protein partitioning, we posit that lipid rafts are capable of playing another role: stabilizing membrane physical properties over varying temperatures and other environmental conditions. Membrane composition defines the mechanical and viscous properties of the bilayer. The composition also varies strongly with temperature, with systematic changes in the partitioning of high and low melting temperature membrane components. In this way, rafts function as buffers of membrane physical properties, progressively counteracting environmental changes via compositional changes; i.e., more high melting lipids partition to the fluid phase with increasing temperature, increasing the bending modulus and viscosity, as thermal effects decrease these same properties. To provide an example of this phenomenon, we have performed neutron scattering experiments and atomistic molecular dynamics simulations on a phase separated model membrane. The results demonstrate a buffering effect in both the lateral diffusion coefficient and the bending modulus of the fluid phase upon changing temperature. Furthermore, this demonstration highlights the potentially advantageous stabilizing effect of complex lipid compositions in response to temperature and potentially other membrane destabilizing environmental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Morphology and Dynamics in Hydroxide-Conducting Polysulfones

In alkaline zinc–manganese dioxide batteries, there is a need for selective polymeric separators that have good hydroxide ion conductivity but that prevent the transport of zincate (Zn(OH) 4 ) 2- . Here we investigate the nanoscale structure and hydroxide transport in two cationic polysulfones that are promising for these separators. We present the synthesis and characterization for a tetraethylammonium-functionalized polysulfone (TEA-PSU) and compare it to our previous work on an N-butylimidazolium-functionalized polysulfone (NBI-PSU). We perform atomistic molecular dynamics (MD) simulations of both polymers at experimentally relevant water contents. The MD simulations show that both polymers develop well phase separated nanoscale water domains that percolate through the polymer. Calculation of the total scattering intensity from the MD simulations reveal weak or nonexistent ionomer peaks at low wave vectors. The lack of an ionomer peak is due to a loss of contrast in the scattering. The small water domains in both polymers, with median diameters on the order of 0.5–0.7 nm, lead to hydroxide and water diffusion constants that are 1–2 orders of magnitude smaller than their values in bulk water. This confinement lowers the conductivity but also may explain the strong exclusion of zincate from the PSU membranes seen experimentally.

25 ENERGY STORAGE↗
DOE OSTI2026

Large Polaron Screening Delays Mobility Roll-Off in Halide Perovskites under High Injection

The interplay between carrier density regimes and the various scattering processes is fundamental for understanding charge transport efficiency in high-performance semiconductors. Combining ultrafast time-resolved terahertz spectroscopy (TRTS) and transient microwave photoconductivity (TRMC), we measure carrier mobilities over 7 orders of magnitude (10 13 –10 20 carriers cm –3 ), reaching a regime where carrier–carrier scattering dominates and mobility begins to roll off. We find the Caughey–Thomas model can be effectively employed for transport modeling in 3D metal halide perovskites (MHPs), and the mobility roll-off near ∼10 19 cm –3 can be tuned by MHP composition. Carrier lifetime in MHPs starts decreasing at much lower carrier densities due to interband multi-carrier recombination, while intraband carrier mobility remains unchanged as carrier–carrier scattering is screened by the presence of polarons. The validated Caughey–Thomas model provides a practical input for device simulations, prevents overestimation of diffusion length under high injection, and suggests that MHPs are excellent candidates for unipolar device applications under high carrier densities.

14 SOLAR ENERGY↗
DOE OSTI2024

Ab-initio molecular dynamics study of eutectic chloride salt: MgCl2–NaCl–KCl

Ionic liquid materials are viable candidates as a heat transfer fluid (HTF) in a wide range of applications, notably within concentrated solar power (CSP) technology and molten salt reactors (MSRs). For next-generation CSP and MSR technologies that strive for higher power generation efficiency, a HTF with wide liquid phase range and energy storage capabilities is crucial. Studies have shown that eutectic chloride salts exhibit thermal stability at high temperatures, high heat storage capacity, and are less expensive than nitrate and carbonate salts. However, the experimental data needed to fully evaluate the potential of eutectic chloride salts as a HTF contender are scarce and entail large uncertainties. Considering the high cost and potential hazards associated with the experimental methods used to determine the properties of ionic liquids, molecular modeling can be used as a viable alternative resource. In this study, the eutectic ternary chloride salt MgCl 2 –NaCl–KCl is modeled using ab-initio molecular dynamics simulations (AIMDs) in the liquid phase. Using the simulated data, the thermophysical and transport properties of eutectic chloride salt can be calculated: density, viscosity, heat capacity, diffusion coefficient, and ionic conductivity. For an initial model validation, experimental pair-distribution function data were obtained from X-ray total scattering techniques and compared to the theoretical pair-distribution function. Additionally, theoretical viscosity values are compared to experimental viscosity values for a similar system. The results provide a starting foundation for a MgCl 2 –NaCl–KCl model that can be extended to predict other fundamental properties.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

LOFAR, VLA, and Chandra observations of the Toothbrush Galaxy Cluster

We present deep LOFAR observations between 120 {181 MHz of the `Toothbrush' (RX J0603.3+4214), a cluster that contains one of the brightest radio relic sources known. Our LOFAR observations exploit a new and novel calibration scheme to probe 10 times deeper than any previous study in this relatively unexplored part of the spectrum. The LOFAR observations, when combined with VLA, GMRT, and Chandra X-ray data, provide new information about the nature of cluster merger shocks and their role in re-accelerating relativistic particles. We derive a spectral index of α = -0:8±0:1 at the northern edge of the main radio relic, steepening towards the south to α ≈ -2. The spectral index of the radio halo is remarkably uniform (α = -1:16, with an intrinsic scatter of ≤ 0:04). The observed radio relic spectral index gives a Mach number of M = 2:8 +0:5 -0:3 , assuming diffusive shock acceleration (DSA). However, the gas density jump at the northern edge of the large radio relic implies a much weaker shock (M≈1:2, with an upper limit ofM≈1:5). The discrepancy between the Mach numbers calculated from the radio and X-rays can be explained if either (i) the relic traces a complex shock surface along the line of sight, or (ii) if the radio relic emission is produced by a re-accelerated population of fossil particles from a radio galaxy. Our results highlight the need for additional theoretical work and numerical simulations of particle acceleration and re-acceleration at cluster merger shocks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

INJECTION TO RAPID DIFFUSIVE SHOCK ACCELERATION AT PERPENDICULAR SHOCKS IN PARTIALLY IONIZED PLASMAS

We present a three-dimensional hybrid simulation of a collisionless perpendicular shock in a partially ionized plasma for the first time. In this simulation, the shock velocity and upstream ionization fraction are v {sub sh} ≈ 1333 km s{sup −1} and f {sub i} ∼ 0.5, which are typical values for isolated young supernova remnants (SNRs) in the interstellar medium. We confirm previous two-dimensional simulation results showing that downstream hydrogen atoms leak into the upstream region and are accelerated by the pickup process in the upstream region, and large magnetic field fluctuations are generated both in the upstream and downstream regions. In addition, we find that the magnetic field fluctuations have three-dimensional structures and the leaking hydrogen atoms are injected into the diffusive shock acceleration (DSA) at the perpendicular shock after the pickup process. The observed DSA can be interpreted as shock drift acceleration with scattering. In this simulation, particles are accelerated to v ∼ 100 v {sub sh} ∼ 0.3 c within ∼100 gyroperiods. The acceleration timescale is faster than that of DSA in parallel shocks. Our simulation results suggest that SNRs can accelerate cosmic rays to 10{sup 15.5} eV (the knee) during the Sedov phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Active Galactic Nuclei Continuum Reverberation Mapping Based on Zwicky Transient Facility Light Curves

We perform a systematic survey of active galactic nuclei (AGNs) continuum lags using ~3 days cadence gri-band light curves from the Zwicky Transient Facility. We select a sample of 94 type 1 AGNs at z < 0.8 with significant and consistent inter-band lags based on the interpolated cross-correlation function method and the Bayesian method JAVELIN. Within the framework of the "lamp-post" reprocessing model, our findings are: (1) The continuum emission (CE) sizes inferred from the data are larger than the disk sizes predicted by the standard thin-disk model. (2) For a subset of the sample, the CE size exceeds the theoretical limit of the self-gravity radius (12 lt-days) for geometrically thin disks. (3) The CE size scales with continuum luminosity as R CE ∝ L 0.48±0.04 with a scatter of 0.2 dex, analogous to the well-known radius–luminosity relation of broad Hβ. These findings suggest a significant contribution of diffuse continuum emission from the broad-line region (BLR) to AGN continuum lags. We find that the R CE –L relation can be explained by a photoionization model that assumes ~23% of the total flux comes from the diffuse BLR emission. In addition, the ratio of the CE size and model-predicted disk size anticorrelates with the continuum luminosity, which is indicative of a potential nondisk BLR lag contribution evolving with the luminosity. Finally, a robust positive correlation between the CE size and black hole mass is detected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Diffusive tunneling in an isobaric but non-isothermal fuel-pusher mixture

The hydrodynamic mix of fusion fuel and inert pusher can simultaneously generate smaller fuel pockets and finer pusher layers that separate them. Smaller fuel pockets have greater local Knudsen numbers, which tend to exacerbate the Knudsen layer reactivity reduction. A thinner pusher layer separating the neighboring fuel pockets, on the other hand, can enable the diffusive tunneling of Gamow fuel ions through the pusher layer and hence alleviate the Knudsen layer reactivity degradation. Here in this paper, the diffusive tunneling phenomenon describes a random walk process by which the Gamow fuel ions from one fuel pocket can traverse the inert pusher layer to join a neighboring fuel pocket without losing much of their energy. This is made possible by the much slower collisional slowing down rate compared with the pitch angle scattering rate of light fuel ions with heavier pusher ions. In an isobaric target mixture where fuel and pusher segments can have distinct temperatures, due to their different compressibilities, the temperature effect on the critical pusher layer areal density below which diffusive tunneling can occur, which is a property of the hydrodynamic mix, is understood by computing the ion charge state distribution using a collisional radiative model. This information is fed into the collisionality evaluation, enabling a parametric scan of the diffusive tunneling physics in terms of the target pressure, fuel, and pusher temperatures. It is found that when the gold pusher layer has a temperature above 1 keV, the variation of the pusher temperature has little effect on the critical areal mass density below which diffusive tunneling can occur. If the pusher layer is 1 keV or below, the critical areal mass density rises sharply, indicating that for a stronger fuel-pusher temperature disparity, the onset of diffusive tunneling will be at an earlier stage of the hydrodynamic mix when the fuel-pusher mixing structures are of less reduced size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dynamics in poly vinyl alcohol (PVA) based hydrogel: Neutron scattering study

Results of quasielastic neutron scattering measurements carried out on Poly Vinyl Alcohol (PVA) based hydrogels are reported here. PVA hydrogels are formed using Borax as a cross-linking agent in D{sub 2}O solvent. This synthetic polymer can be used for obtaining the hydrogels with potential use in the field of biomaterials. The aim of this paper is to study the dynamics of polymer chain in the hydrogel since it is known that polymer mobility influences the kinetics of loading and release of drugs. It is found that the dynamics of hydrogen atoms in the polymer chain could be described by a model where the diffusion of hydrogen atoms is limited within a spherical volume of radius 3.3 Å. Average diffusivity estimated from the behavior of quasielastic width is found to be 1.2 × 10{sup −5} cm{sup 2}/sec.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Radiological Shielding Design for the Neutron Backscattering Spectrometer EMU

In this paper we present modelling and design of compact radiation shielding required for operation of the EMU instrument, located at Australia's OPAL nuclear reactor. The acceptance criteria for the shielding design were (i) safety - dose rate ≤ 3 μSv/h at external surfaces of the instrument's experimental area, (ii) floor load limit < 20 tons/m{sup 2}, (iii) low cost and (iv) for maintenance purposes 'easy access' to components of the instruments. The EMU instrument is a cold neutron backscattering spectrometer designed to measure inelastic neutron scattering. Its distinctive feature is that it has a tight elastic energy transfer resolution, of about 1 μeV. The instrument provides unique opportunities to study diffusion in complex materials, e.g. water molecules in confinement, polymers or biological molecules, particularly in the Asia-Oceania region. EMU is the first instrument located on the CG3 neutron beam line of the OPAL Neutron Guide Hall (NGH). A pre-existing evacuated neutron guide of dimensions 200 mm (height) x 50 mm (width) feeds into the shared EMU/KOOKABURRA pre-monochromator bunker shielding assembly, and its bottom cross section will be intercepted ∼200 mm further in air by the highly orientated pyrolytic graphite (HOPG) EMU pre-monochromator (take-off angles from 125.4 deg. to 148 deg.). The bunker shielding assembly for EMU also contains a beryllium filter and Focusing Guide Section D (FGD, 170 mm (height) x 50 mm (width)). To accommodate the range of take-off angles Pb cylindrical shielding blocks of radius 140 mm and 500 mm height have been designed. These blocks will be located at the section of the bunker where the neutron beam will exit towards the experimental area and they will reside on top of a hollow steel base (sides 10 mm thick), on which they move by sliding and are integrated with the tertiary shutter. The experimental area is enclosed by a concrete wall of 2.5 m height and 300 mm thickness, shared with the KOOKABURRA instrument, Gyprock Plasterboard panels with viewing windows, a wall from the Out-of-Pile Bunker and the CG3 shielding. The neutron beam enters the experimental area via the tertiary shutter, into the Focusing Guide Section C (FGC), which has an entrance guide cross-section of 158 mm (height) x 79 mm (width) and exit guide cross-section of 149 mm (height) x 85 mm (width) and is of length 816 mm. The vacuum chamber of FGC will be connected to the vacuum chamber of the Background Chopper (BC, disc of outer radius 350 mm). Focusing Guide Section B (FGB) is aligned with FGC and its vacuum shared with the BC vacuum. The FGB has an exit guide cross section of 50 mm (height) x 49 mm (width) and is of length 4046 mm, which will focus the neutron beam vertically and horizontally towards the Al window entrance (0.82 mm thickness, labelled N16) of the Scattering Tank assembly (constructed from 20 mm - 40 mm thickness stainless steel and will be under vacuum < 1 x 10{sup -3} mbar). Inside the Scattering Tank there is another section of Focusing Guide (FGA), with an exit guide cross-section of 30 mm (height) 30 mm (width) and of length 417 mm. The neutron beam exiting the FGA will be reflected by the HOPG crystal pieces of the Graphite Chopper (GC) towards the Backscattering Monochromator (BM). The reflected neutron beam will first pass through the other Al window (0.82 mm thickness, labelled N17) of the Scattering Tank and then enter into a flight tube (steel of 10 mm thickness). The BM is formed in an 1800 mm spherical radius array of Si crystal elements (0.87 mm thickness) and is oscillated by the linear motor Doppler Drive. The neutron beam will be reflected back at 180 deg. from, and focussed by the BM to reenter the Scattering Tank through the N17 Al window. It will then pass through the GC (HOPG crystals are rotated out of the way) and will reach the scattering sample of interest to the instrument end user. Also, inside the Scattering Tank there will be {sup 3}He linear position-sensitive detectors, and Analyser Arrays formed in an 1800 mm radius spherical arrays of Si crystal elements (0.87 mm thickness) glued on aluminium support frames (10 mm thickness) and span ∼160 deg. arc.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB 11 H 12 and NaCB 11 H 12

The disordered phases ofLiCB 11 H 12 and NaCB 11 H 12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB 11 H 12 - anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB 11 H 12 - also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10 10 s -1 , suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB 11 H 12 - salts compared with B 12 H 12 2- .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Illustrated formalisms for total scattering data: a guide for new practitioners

The total scattering method is the simultaneous study of both the real- and reciprocal-space representations of diffraction data. While conventional Bragg-scattering analysis (employing methods such as Rietveld refinement) provides insight into the average structure of the material, pair distribution function (PDF) analysis allows for a more focused study of the local atomic arrangement of a material. Generically speaking, a PDF is generated by Fourier transforming the total measured reciprocal-space diffraction data (Bragg and diffuse) into a real-space representation. However, the details of the transformation employed and, by consequence, the resultant appearance and weighting of the real-space representation of the system can vary between different research communities. As the worldwide total scattering community continues to grow, these subtle differences in nomenclature and data representation have led to conflicting and confusing descriptions of how the PDF is defined and calculated. This paper provides a consistent derivation of many of these different forms of the PDF and the transformations required to bridge between them. Some general considerations and advice for total scattering practitioners in selecting and defining the appropriate choice of PDF in their own research are presented. This contribution aims to benefit people starting in the field or trying to compare their results with those of other researchers.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Feasibility of a Monte Carlo-deterministic hybrid method for fast reactor analysis

A Monte Carlo and deterministic hybrid method is investigated for the analysis of fast reactors in this paper. Effective multi-group cross sections data are generated using a collision estimator in the MCNP5. A high order Legendre scattering cross section data generation module was added into the MCNP5 code. Both cross section data generated from MCNP5 and TRANSX/TWODANT using the homogeneous core model were compared, and were applied to DIF3D code for fast reactor core analysis of a 300 MWe SFR TRU burner core. For this analysis, 9 groups macroscopic-wise data was used. In this paper, a hybrid calculation MCNP5/DIF3D was used to analyze the core model. The cross section data was generated using MCNP5. The k{sub eff} and core power distribution were calculated using the 54 triangle FDM code DIF3D. A whole core calculation of the heterogeneous core model using the MCNP5 was selected as a reference. In terms of the k{sub eff}, 9-group MCNP5/DIF3D has a discrepancy of -154 pcm from the reference solution, 9-group TRANSX/TWODANT/DIF3D analysis gives -1070 pcm discrepancy. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Efficiency of Metal Mixing in Dwarf Galaxies

Metal mixing plays a critical role in the enrichment of metals in galaxies. The abundance of elements such as Mg, Fe, and Ba in metal-poor stars helps us understand the metal mixing in galaxies. However, the efficiency of metal mixing in galaxies is not yet understood. Here we report a series of N -body/smoothed particle hydrodynamics simulations of dwarf galaxies with different efficiencies of metal mixing using a turbulence-induced mixing model. We show that metal mixing apparently occurs in dwarf galaxies from Mg and Ba abundances. We find that a scaling factor for metal diffusion larger than 0.01 is necessary to reproduce the measured abundances of Ba in dwarf galaxies. This value is consistent with the value expected from turbulence theory and experiments. We also find that the timescale of metal mixing is less than 40 Myr. This timescale is shorter than the typical dynamical times of dwarf galaxies. We demonstrate that the determination of a degree of scatters of Ba abundance by the observation will help us to better constrain the efficiency of metal mixing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Empirical and physics based mathematical models of uranium hydride decomposition kinetics with quantified uncertainties.

Metal particle beds have recently become a major technique for hydrogen storage. In order to extract hydrogen from such beds, it is crucial to understand the decomposition kinetics of the metal hydride. We are interested in obtaining a a better understanding of the uranium hydride (UH3) decomposition kinetics. We first developed an empirical model by fitting data compiled from different experimental studies in the literature and quantified the uncertainty resulting from the scattered data. We found that the decomposition time range predicted by the obtained kinetics was in a good agreement with published experimental results. Secondly, we developed a physics based mathematical model to simulate the rate of hydrogen diffusion in a hydride particle during the decomposition. We used this model to simulate the decomposition of the particles for temperatures ranging from 300K to 1000K while propagating parametric uncertainty and evaluated the kinetics from the results. We compared the kinetics parameters derived from the empirical and physics based models and found that the uncertainty in the kinetics predicted by the physics based model covers the scattered experimental data. Finally, we used the physics-based kinetics parameters to simulate the effects of boundary resistances and powder morphological changes during decomposition in a continuum level model. We found that the species change within the bed occurring during the decomposition accelerates the hydrogen flow by increasing the bed permeability, while the pressure buildup and the thermal barrier forming at the wall significantly impede the hydrogen extraction.

08 HYDROGEN↗