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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2024

The Impact of the 8–10 March 2012 Geomagnetic Storm on Inner Zone Protons as Measured by Van Allen Probes

The Relativistic Electron Proton Telescope (REPT) instrument on the Van Allen Probes observed a double-peaked inner zone proton population throughout the 7 year lifetime of the mission. M. Hudson et al. (2023) showed that a strong SEP event accompanied by a CME-shock in early March 2012 provided the Solar Energetic Proton (SEP) source for the higher L trapped proton population, which then diffused radially inward to be observed by REPT at L = 2. The study followed trajectories of SEP protons launched isotropically from a sphere at 7 Re for 2.5 hr in fields calculated by the LFM-RCM global MHD model, which includes electric fields needed to model the transport and trapping of the protons by the shock, and then a radial diffusion simulation was run for 2 years using the result from the test-particle simulation as the initial condition. The simulation result was compared with REPT measurement in November 2013 and showed reasonable agreement. However, the simulation overestimated the Phase Space Density by a factor of four due to lack of field line curvature scattering during the storm in the model. In this study, a test-particle simulation is performed for 2 days following the injection and trapping of protons in March 2012 using TS05 fields to simulate the field line curvature scattering of the trapped SEP due to the buildup of the ring current during the geomagnetic storm. The resulting sample distribution was then weighted using the flux at the end of the two-hour MHD-test particle simulation. A radial diffusion simulation is then run using the initial profile that included the loss effect, with improved comparison with REPT measurements after 2 years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

STRUCTURED JETS IN BL LAC OBJECTS: EFFICIENT PeV NEUTRINO FACTORIES?

The origin of high-energy neutrinos (0.1–1 PeV range) detected by IceCube remains a mystery. In this work, we explore the possibility that efficient neutrino production can occur in structured jets of BL Lac objects, characterized by a fast inner spine surrounded by a slower layer. This scenario has been widely discussed in the framework of the high-energy emission models for BL Lac objects and radio galaxies. One of the relevant consequences of a velocity structure is the enhancement of the inverse Compton emission caused by the radiative coupling of the two zones. We show that a similar boosting could occur for the neutrino output of the spine through the photo-meson reaction of high-energy protons scattering off the amplified soft target photon field of the layer. Assuming the local density and the cosmological evolution of γ-ray BL Lac object derived from Fermi Large Area Telescope data, we calculate the expected diffuse neutrino intensity, which can match the IceCube data for a reasonable choice of parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Diffusion of In{sub 0.53}Ga{sub 0.47}As elements through hafnium oxide during post deposition annealing

Diffusion of indium through HfO{sub 2} after post deposition annealing in N{sub 2} or forming gas environments is observed in HfO{sub 2}/In{sub 0.53}Ga{sub 0.47}As stacks by low energy ion scattering and X-ray photo electron spectroscopy and found to be consistent with changes in interface layer thickness observed by transmission electron microscopy. Prior to post processing, arsenic oxide is detected at the surface of atomic layer deposition-grown HfO{sub 2} and is desorbed upon annealing at 350 °C. Reduction of the interfacial layer thickness and potential densification of HfO{sub 2}, resulting from indium diffusion upon annealing, is confirmed by an increase in capacitance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Discriminating the Role of Surface Hydride and Hydroxyl for Acetylene Semihydrogenation over Ceria through In Situ Neutron and Infrared Spectroscopy

Ceria has been used as a hydrogenation catalyst especially in selective alkyne hydrogenation, but the reaction mechanism regarding the role of different surface hydrogen species remains unclear. Here, we utilized in situ neutron and infrared vibration spectroscopy to show the catalytic role of cerium hydride (Ce–H) and hydroxyl (OH) groups in acetylene hydrogenation over ceria surfaces with different degree of reduction. In situ inelastic neutron scattering spectroscopy (INS) proved that not only Ce–H but also surface atomic hydrogen species on the reduced ceria surface can participate in acetylene semihydrogenation. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) results implied that bridging OH groups both on the oxidized and reduced ceria are active in the selective hydrogenation of acetylene. It appears that surface Ce–H is more reactive than the coexisting OH species on the reduced ceria surface, but over-reduction of ceria also results in strongly bound species that may lead to catalyst deactivation. These spectroscopic results clearly explain the reaction mechanism including not only the surface chemistry but also the nature of the active hydrogen species for selective hydrogenation over ceria, providing insights into the design of more active and stable ceria-based catalysts for hydrogenation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

CO GAS INSIDE THE PROTOPLANETARY DISK CAVITY IN HD 142527: DISK STRUCTURE FROM ALMA

Inner cavities and annular gaps in circumstellar disks are possible signposts of giant planet formation. The young star HD 142527 hosts a massive protoplanetary disk with a large cavity that extends up to 140 AU from the central star, as seen in continuum images at infrared and millimeter wavelengths. Estimates of the survival of gas inside disk cavities are needed to discriminate between clearing scenarios. We present a spatially and spectrally resolved carbon monoxide isotopologue observations of the gas-rich disk HD 142527, in the J = 2-1 line of {sup 12}CO, {sup 13}CO, and C{sup 18}O obtained with the Atacama Large Millimeter/submillimeter Array (ALMA). We detect emission coming from inside the dust-depleted cavity in all three isotopologues. Based on our analysis of the gas in the dust cavity, the {sup 12}CO emission is optically thick, while {sup 13}CO and C{sup 18}O emissions are both optically thin. The total mass of residual gas inside the cavity is ∼1.5-2 M {sub Jup}. We model the gas with an axisymmetric disk model. Our best-fit model shows that the cavity radius is much smaller in CO than it is in millimeter continuum and scattered light observations, with a gas cavity that does not extend beyond 105 AU (at 3σ). The gap wall at its outer edge is diffuse and smooth in the gas distribution, while in dust continuum it is manifestly sharper. The inclination angle, as estimated from the high velocity channel maps, is 28 ± 0.5 deg, higher than in previous estimates, assuming a fix central star mass of 2.2 M {sub ☉}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Inverse Compton Cooling in the Coronae of Simulated Black Hole Accretion Flows

Here we present a formulation for a local cooling function to be employed in the diffuse, hot corona region of 3D GRMHD simulations of accreting black holes. This new cooling function calculates the cooling rate due to inverse Compton scattering by considering the relevant microphysics in each cell in the corona and approximating the radiation energy density and Compton temperature thereby integrating over the thermal seed photon flux from the disk surface. The method either assumes the ion and electron temperatures are equal (1T) or calculates them separately (2T) using an instantaneous equilibrium approach predicated on the actual relevant rate equations (Coulomb and Compton). The method is shown to be consistent with a more detailed ray-tracing calculation where the bulk of the cooling occurs, but is substantially less costly to perform. As an example, we apply these methods to a harm3d simulation of a 10M⊙, non-spinning black hole, accreting at nominally 1% the Eddington value. This new approach leads to radiative efficiency values sime65% above Novikov–Thorne, with a larger fraction of total cooling in the corona as compared to simulations performed using the original target-temperature cooling function. Time-averaged post-processing reveals that the continuum spectral observations predicted from these simulations are qualitatively similar to actual X-ray binary data, especially so for the 1T approach, which yields a harder power-law component (Γ = 2.25) compared to the 2T version (Γ = 2.53).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Galactic cosmic-ray modulation near the heliopause

We investigate the modulation of galactic cosmic rays in the inner and outer heliosheaths using three-dimensional numerical simulations. The model is based on the Parker transport equation integrated using a stochastic phase-space trajectory method. Integration is performed on a plasma background obtained from a global three-dimensional magnetohydrodynamic simulations. Our results predict a negligible amount of modulation in the outer heliosheath because of weak scattering of cosmic ray ions owing to very low levels of magnetic fluctuation power at wavenumbers relevant to the transport of cosmic rays with MeV to GeV energies. This means that the heliopause may be treated as a Dirichlet-type boundary for the purpose of energetic particle modeling. We present models with and without drift velocity to facilitate comparison with papers published earlier. We also attempt to reproduce the sudden step-like increases of cosmic-ray intensity observed by Voyager 1 before its encounter with the heliopause. Our results indicate that very slow cross-field diffusion in the outer heliosheath could produce a large gradient of cosmic rays inside the heliospheric boundary. The resulting large gradient in cosmic-ray intensity near the heliopause qualitatively agrees with recent Voyager 1 observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Pitch-angle scattering of energetic particles with adiabatic focusing

Understanding turbulent transport of charged particles in magnetized plasmas often requires a model for the description of random variations in the particle's pitch angle. The Fokker-Planck coefficient of pitch-angle scattering, which is used to describe scattering parallel to the mean magnetic field, is therefore of central importance. Whereas quasi-linear theory assumes a homogeneous mean magnetic field, such a condition is often not fulfilled, especially for high-energy particles. Here, a new derivation of the quasi-linear approach is given that is based on the unperturbed orbit found for an adiabatically focused mean magnetic field. The results show that, depending on the ratio of the focusing length and the particle's Larmor radius, the Fokker-Planck coefficient is significantly modified but agrees with the classical expression in the limit of a homogeneous mean magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Highly efficient terahertz wave filter for high-power laser beam separation

In this study, we design and fabricate a two-layer device based on the Rayleigh scattering theory for effectively separating high-energy pump-laser-generated terahertz (THz) waves. The basic layer is comprised of cyclo olefin polymer and silicon nanoparticles, which can obstruct the propagation of the 800-nm, high-energy pump laser through scattering and absorption effects while permitting THz waves to pass through. In order to improve the laser damage threshold of the basic layer, an additional layer, which is composed of hollow silica nanoparticles, is used to diffuse the incident high-energy laser beam. Through this two-layer structure, a high 800-nm laser threshold and highly transparent THz region filter are fabricated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Natural element method for radiative heat transfer in a semitransparent medium with irregular geometries

This paper develops a numerical solution to the radiative heat transfer problem coupled with conduction in an absorbing, emitting and isotropically scattering medium with the irregular geometries using the natural element method (NEM). The walls of the enclosures, having temperature and mixed boundary conditions, are considered to be opaque, diffuse as well as gray. The NEM as a meshless method is a new numerical scheme in the field of computational mechanics. Different from most of other meshless methods such as element-free Galerkin method or those based on radial basis functions, the shape functions used in NEM are constructed by the natural neighbor interpolations, which are strictly interpolant and the essential boundary conditions can be imposed directly. The natural element solutions in dealing with the coupled heat transfer problem for the mixed boundary conditions have been validated by comparison with those from Monte Carlo method (MCM) generated by the authors. For the validation of the NEM solution to radiative heat transfer in the semicircular medium with an inner circle, the results by NEM have been compared with those reported in the literatures. For pure radiative transfer, the upwind scheme is employed to overcome the oscillatory behavior of the solutions in some conditions. The steady state and transient heat transfer problem combined with radiation and conduction in the semicircular enclosure with an inner circle are studied. Effects of various parameters such as the extinction coefficient, the scattering albedo, the conduction–radiation parameter and the boundary emissivity are analyzed on the radiative and conductive heat fluxes and transient temperature distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Study of the GeV to TeV morphology of the γ Cygni SNR (G 78.2+2.1) with MAGIC and Fermi-LAT

Context: Diffusive shock acceleration (DSA) is the most promising mechanism that accelerates Galactic cosmic rays (CRs) in the shocks of supernova remnants (SNRs). It is based on particles scattering caused by turbulence ahead and behind the shock. The turbulence upstream is supposedly generated by the CRs, but this process is not well understood. The dominant mechanism may depend on the evolutionary state of the shock and can be studied via the CRs escaping upstream into the interstellar medium (ISM). Aims: Previous observations of the γ Cygni SNR showed a difference in morphology between GeV and TeV energies. Since this SNR has the right age and is at the evolutionary stage for a significant fraction of CRs to escape, our aim is to understand γ-ray emission in the vicinity of the γ Cygni SNR. Methods: We observed the region of the γ Cygni SNR with the MAGIC Imaging Atmospheric Cherenkov telescopes between 2015 May and 2017 September recording 87 h of good-quality data. Additionally, we analysed Fermi-LAT data to study the energy dependence of the morphology as well as the energy spectrum in the GeV to TeV range. The energy spectra and morphology were compared against theoretical predictions, which include a detailed derivation of the CR escape process and their γ-ray generation. Results: The MAGIC and Fermi-LAT data allowed us to identify three emission regions that can be associated with the SNR and that dominate at different energies. Our hadronic emission model accounts well for the morphology and energy spectrum of all source components. It constrains the time-dependence of the maximum energy of the CRs at the shock, the time-dependence of the level of turbulence, and the diffusion coefficient immediately outside the SNR shock. Further, while in agreement with the standard picture of DSA, the time-dependence of the maximum energy was found to be steeper than predicted, and the level of turbulence was found to change over the lifetime of the SNR.

79 ASTRONOMY AND ASTROPHYSICS↗