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At least 1,621 records · Page 90

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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↗

NASA NTRS1972

Polarization of the diffuse galactic light.

Polarization measurements made from the satellite OSO-5 show that the polarized intensity in the direction of the Scutum arm of the Galaxy is different in intensity and direction of the polarization from that observed due to the zodiacal light. The observations are consistent with polarized diffuse galactic light superposed on the zodiacal light. The results are interpreted in terms of a model in which the galactic starlight is scattered by interstellar dust.

Sparrow, J. G.↗

NASA NTRS1980

First Voyager view of the rings of Saturn

Voyager 1 imaging data of the Saturn rings, taken at a resolution of 1000 km/line pair between September 3 and October 13, 1980 are discussed. It is pointed out that as the spacecraft approached Saturn, finer radial structure in the rings between and within the major divisions became apparent, together with extensive azimuthal structure in the B ring. It is shown that the fine structure observed in the rings cannot, for the most part, be attributed to classical resonances with the known inner satellites. Preliminary model calculations of ring brightness based on photometry data indicate that the particles of the A and B rings are characterized by a greater degree of diffuse backscattering ability than previously suspected, behaving like Lambert spheres, while those of the C ring are either darker or more highly forward scattering than the A or B ring particles.

Collins, S.A.↗

NASA NTRS1987

Calculations of the displacement damage and short-circuit current degradation in proton irradiated (AlGa)As-GaAs solar cells

A theoretical model for computing the displacement damage defect density and the short-circuit current (I sub sc) degradation in proton-irradiated (AlGa)As-GaAs p-n junction solar cells is presented. Assumptions were made with justification that the radiation induced displacement defects form an effective recombination center which controls the electron and hole lifetimes in the junction space charge region and in the n-GaAs active layer of the irradiated GaAs p-n junction cells. The degradation of I sub sc in the (AlGa)As layer was found to be negligible compared to the total degradation. In order to determine the I sub sc degradation, the displacement defect density, path length, range, reduced energy after penetrating a distance x, and the average number of displacements formed by one proton scattering event were first calculated. The I sub sc degradation was calculated by using the electron capture cross section in the p-diffused layer and the hole capture cross section in the n-base layer as well as the wavelength dependent absorption coefficients. Excellent agreement was found between the researchers calculated values and the measured I sub sc in the proton irradiated GaAs solar cells for proton energies of 100 KeV to 10 MeV and fluences from 10 to the 10th power p/square cm to 10 to the 12th power p/square cm.

Yeh, C. S.↗

NASA NTRS1992

Theoretical studies of the outer envelopes of young stellar objects

With the Monte Carlo code developed by Whitney and Hartmann, a series of models was computed of scattering in disks around young stellar objects. The code calculates scattering by dust, including polarization, in arbitrary geometries. By computing model images, it was found that disk, by themselves, around young stellar objects would be very difficult to detect with present day imaging techniques. In comparing these images to observations of young stellar objects which show diffuse structure, little resemblance was found. A flared disk system will only give high polarization when viewed edge-on, and the position angle is always oriented perpendicular to the disk plane. This suggests that an envelope, perhaps the remnant infalling envelope, must be present to scatter more stellar light than a disk can, and obscure the star at many inclinations. A grid was computed of models of scattering in a disk+envelope system. Evidence is presented that the wind of the pre-main sequence object FU Orionis arises from the surface of the luminous prostellar accretion disk. A disk wind model calculated assuming radiative equilibrium explains the differential behavior of the observed asymmetrical absorption line profiles. The model predicts that strong lines should be asymmetric and blueshifted, while weak lines should be symmetric and doubled peaked due to disk rotation, in agreement with observations.

Hartmann, Lee↗

NASA NTRS2002

Dot Projection Photogrammetric Technique for Shape Measurements of Aerospace Test Articles

Results from initial laboratory investigations with the dot projection photogrammetric technique are presented for three wind-tunnel test articles with a range of surface scattering and reflection properties. These test articles are a semispan model and a micro air vehicle with a latex wing that are both diffusely reflecting, and a highly polished specularly reflecting model used for high Reynolds number testing. Results using both white light and laser illumination are presented. Some of the advantages and limitations of the dot projection technique are discussed. Although a desirable final outcome of this research effort is the characterization of dynamic behavior, only static laboratory results are presented in this preliminary effort.

Jones, Thomas W.↗

NASA NTRS2002

Simultaneous Raman-Rayleigh-LIF Measurements and Numerical Modeling Results of a Lifted H2/N2 Turbulent Jet Flame in a Vitiated Coflow

An experimental and numerical investigation is presented of a H2/N2 turbulent jet flame burner that has a novel vitiated coflow. The vitiated coflow emulates the recirculation region of most combustors, such as gas turbines or furnaces. Additionally, since the vitiated gases are coflowing, the burner allows for exploration of recirculation chemistry without the corresponding fluid mechanics of recirculation. Thus the vitiated coflow burner design facilitates the development of chemical kinetic combustion models without the added complexity of recirculation fluid mechanics. Scalar measurements are reported for a turbulent jet flame of H2/N2 in a coflow of combustion products from a lean ((empty set) = 0.25) H2/Air flame. The combination of laser-induced fluorescence, Rayleigh scattering, and Raman scattering is used to obtain simultaneous measurements of the temperature, major species, as well as OH and NO. Laminar flame calculation with equal diffusivity do agree when the premixing and preheating that occurs prior to flame stabilization is accounted for in the boundary conditions. Also presented is an exploratory pdf model that predicts the flame's axial profiles fairly well, but does not accurately predict the lift-off height.

Cabra, R.↗

NASA NTRS2020

Identify the Limits of Geometric Optics Ray Tracing by Numerically Solving the Vector Kirchhoff Integral

The properties of a pencil of light as defined approximately in the geometric optics ray tracing method are investigated. The vector Kirchhoff integral is utilized to accurately compute the electromagnetic near field in and around the pencil of light with various beam base sizes, shapes, propagation directions and medium refractive indices. If a pencil of light has geometric mean cross section size of the order p times the wavelength, it can propagate independently to a distance p2 times the wavelength, where most of the beam energy diffuses out of the beam region. This is consistent with a statement that van de Hulst made in a classical text on light scattering. The electromagnetic near fields in the pencil of light are not uniform, have complicated patterns within short distances from the beam base, and the fields tend to converge to Fraunhofer diffraction fields far away from the base.

Far field diffraction↗

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↗