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At least 361 records · Page 20

Advanced Computational Modeling of High-Level Waste Vitrification at the Hanford Site

The U.S. Department of Energy (DOE) has selected vitrification for stabilizing legacy tank waste at the Hanford site, where radioactive waste from plutonium production was historically stored in underground tanks. This waste will be separated into low-activity waste (LAW) and high-level waste (HLW) fractions and processed at the Waste Treatment and Immobilization Plant (WTP). At WTP, glass melters are used for the vitrification of radioactive tank waste, transforming it into a stable borosilicate glass form for safe long-term storage. The melter vessel is constructed from highly durable and heat-resistant materials, where the vitrification process occurs. The main regions that are modeled are the melt pool, plenum, cold cap, riser/discharge chamber, and surrounding structure with insulation layers. Forced convection induced by air bubblers at the base of the melter ensure uniform temperature distribution and provide heat to the cold cap layer. The cold cap is a region of reacting batch feed that floats on top of the molten glass and is where the batch-to-glass reactions occur. Joule heating provided by electrodes mounted along the vertical walls of the melter and immersed directly in the glass, generates the necessary heat for the net endothermic conversion processes that occur in the cold cap. The high temperatures, radioactivity, and opaque nature of the glass prevent direct observation inside the melters. Therefore, computational models are essential for providing insight into factors that affect melter throughput. Thermocouples in the plenum provide operators with plenum temperature measurements. Operational adjustments include bubbling rate, voltage supplied to the electrodes, feed adjustments, and glass removal rate. Different computational fluid dynamics (CFD) models have been developed, each serving a specific purpose. There are CFD models of different scale melters, as well as models that capture the two-phase flow interfaces of rising bubbles in the molten glass or models with a simplified molten glass region so that the surrounding structure and plenum can be feasibly incorporated. Pilot-scale melter models have been developed to serve as validation of the methods employed in the simulation of the full-scale WTP melters. Models incorporating resolved bubbling are used to develop momentum source terms to implement into a single phase, multi-region, steady-state flow model that is being validated by measured process parameters such as glass production rate, voltage, input power, plenum temperatures, etc. The resolved bubbling model uses the multiphase volume of fluid approach to model the system with a high-resolution interface capturing scheme to maintain sharp interfaces between the molten glass and the air phase. The suite of CFD models is continually being improved to incorporate more realistic physics and achieve faster turnaround time. For example, an incremental controller is implemented to automatically adjust electrode voltage within the simulation to a molten glass set point temperature of 1150°C. Newer models feature improved meshes to ensure conformal meshes between regions and eliminate unnecessary mesh refinement in areas that are not of interest (such as boundary layers in offgas ports). Instead of explicitly modeling the structural, refractory, and insulation layers of the melter, a thermal resistance approach is used with published correlations used for boundary conditions. The development of robust and efficient CFD models will be instrumental in enabling the WTP to successfully fulfill its mission of safely stabilizing legacy nuclear waste.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

A Suzaku View of Accretion-powered X-Ray Pulsar GX 1+4

We present results obtained from a Suzaku observation of the accretion-powered X-ray pulsar GX 1+4. A broadband continuum spectrum of the pulsar was found to be better described by a simple model consisting of a blackbody component and an exponential cutoff power law than the previously used compTT continuum model. Though the pulse profile had a sharp dip in soft X-rays (<10 keV), phase-resolved spectroscopy confirmed that the dimming was not due to an increase in photoelectric absorption. Phase-sliced spectral analysis showed the presence of a significant spectral modulation beyond 10 keV except for the dip phase. A search for the presence of a cyclotron resonance scattering feature in the Suzaku spectra yielded a negative result. Iron K-shell (K{sub α} and K{sub β}) emission lines from nearly neutral iron ions (<Fe iii) were clearly detected in the source spectrum. A significant K{sub α} emission line from almost neutral Ni atoms was detected for the first time in this source. We estimated an iron abundance of ∼80% of the solar value and an Ni/Fe abundance ratio of about two times the solar value. We searched for an iron Ly{sub α} emission line and found a significant improvement in the spectral fitting by inclusion of this line. We found a clear intensity modulation of the iron K{sub α} line with the pulse phase with an amplitude of 7%. This finding favored an inhomogeneous fluorescent region with a radius much smaller than the size (∼3 × 10{sup 12} cm) estimated by an assumption of homogeneous matter.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of isotopic disorders on thermal transport properties of nanotubes and nanowires

We present a one-dimensional lattice model to describe thermal transport in isotopically doped nanotubes and nanowires. The thermal conductivities thus predicted, as a function of isotopic concentration, agree well with recent experiments and other simulations. Our results display that for any given concentration of isotopic atoms in a lattice without sharp atomic interfaces, the maximum thermal conductivity is attained when isotopic atoms are placed regularly with an equal space, whereas the minimum is achieved when they are randomly inserted with a uniform distribution. Non-uniformity of disorder can further tune the thermal conductivity between the two values. Moreover, the dependence of the thermal conductivity on the nanoscale feature size becomes weak at low temperature when disorder exists. In addition, when self-consistent thermal reservoirs are included to describe diffusive nanomaterials, the thermal conductivities predicted by our model are in line with the results of macroscopic theories with an interfacial effect. Our results suggest that the disorder provides an additional freedom to tune the thermal properties of nanomaterials in many technological applications including nanoelectronics, solid-state lighting, energy conservation, and conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Turbulent Processes that Influence Boundary-Layer Cloud Structure (Final Technical Report)

Many models of the atmosphere simulate vertical profiles of observable fields, such as temperature, moisture, and vertical velocity. To assess the realism of such model output, it is important to evaluate the modeled profiles against observations. However, many extant evaluations consist of comparing time averaged profiles from the model and the observations. Such time averages can smooth out unrealistic features that appear in instantaneous profiles. In this way, the time averages may obscure certain model errors from detection. For instance, many models misrepresent turbulent processes, leading to profiles that are too smoothed out or too noisy. E.g., if a model has coarse vertical resolution and overly strong diffusion, then the model may be unable to produce observed sharp peaks. On the other hand, a model may have artificial approximations that produce spurious jumps in the vertical. Much can be learned by browsing through instantaneous snapshots of model output. But the volume of output produced by a global model is far too great to rely purely on visual inspection. In addition, we need a way to statistically characterize the profiles, so that anomalies can be detected more conveniently.

54 ENVIRONMENTAL SCIENCES↗

Infrared spectra of silica polymorphs and the conditions of their formation

The existence of silica within several debris disks has been suggested. Data on both the spectroscopy and annealing conditions of the various polymorphs of silica need to be investigated, as these data are lacking and incomplete in the literature. We investigate the annealing conditions of silica and prepare various types of silica, including α-cristobalite, α-quartz, coesite, stishovite, and fused quartz, which are natural, synthetic, or commercial samples. This paper presents a new study of both the spectroscopy of relevant silica polymorphs and the conditions under which they form. We compare the results to previous studies and find that there are discrepancies. The interesting result of features similar to those of forsterite should be highlighted, where α-cristobalite and coesite showed similar peaks at 16, 33, and 69 μm as forsterite. The 69 μm band for α-cristobalite is especially very broad and strong and shifts largely to a shorter wavelengths under cooling to low temperatures. The band for coesite, however, is very sharp and shifts only a small amount to longer wavelengths under cooling to low temperatures. We discuss the possibility of silica detection around debris disks.

79 ASTRONOMY AND ASTROPHYSICS↗

An Efficient, Globally Convergent Method for Optimization Under Uncertainty Using Adaptive Model Reduction and Sparse Grids

We present a new approach to efficiently solve optimization problems constrained by partial differential equations (PDEs) with uncertain coefficients. The method leverages two sources of inexactness that trade accuracy for speed: (1) stochastic collocation based on dimension-adaptive sparse grids (SGs), which approximates the stochastic objective function with a limited number of quadrature nodes, and (2) projection-based reduced-order models (ROMs), which generate efficient approximations to PDE solutions. These two sources of inexactness lead to inexact objective function and gradient evaluations, which are managed by a trust-region method that guarantees global convergence by adaptively refining the SG and ROM until a proposed error indicator drops below a tolerance specified by trust-region convergence theory. A key feature of the proposed method is that the error indicator---which accounts for errors incurred by both the SG and ROM---must be only an asymptotic error bound, i.e., a bound that holds up to an arbitrary constant that need not be computed. This allows the approach to be applicable to a wide range of problems, including those where sharp, computable error bounds are not available; this distinguishes the proposed method from previous works. Numerical experiments performed on a model problem from optimal flow control under uncertainty verify global convergence of the method and demonstrate the method's ability to outperform previously proposed alternatives.

97 MATHEMATICS AND COMPUTING↗

THERMODYNAMICS OF THE COMA CLUSTER OUTSKIRTS

We present results from a large mosaic of Suzaku observations of the Coma Cluster, the nearest and X-ray brightest hot ({approx}8 keV), dynamically active, non-cool core system, focusing on the thermodynamic properties of the intracluster medium on large scales. For azimuths not aligned with an infalling subcluster toward the southwest, our measured temperature and X-ray brightness profiles exhibit broadly consistent radial trends, with the temperature decreasing from about 8.5 keV at the cluster center to about 2 keV at a radius of 2 Mpc, which is the edge of our detection limit. The southwest merger significantly boosts the surface brightness, allowing us to detect X-ray emission out to {approx}2.2 Mpc along this direction. Apart from the southwestern infalling subcluster, the surface brightness profiles show multiple edges around radii of 30-40 arcmin. The azimuthally averaged temperature profile, as well as the deprojected density and pressure profiles, all show a sharp drop consistent with an outwardly-propagating shock front located at 40 arcmin, corresponding to the outermost edge of the giant radio halo observed at 352 MHz with the Westerbork Synthesis Radio Telescope. The shock front may be powering this radio emission. A clear entropy excess inside of r{sub 500} reflects the violent merging events linked with these morphological features. Beyond r{sub 500}, the entropy profiles of the Coma Cluster along the relatively relaxed directions are consistent with the power-law behavior expected from simple models of gravitational large-scale structure formation. The pressure is also in agreement at these radii with the expected values measured from Sunyaev-Zel'dovich data from the Planck satellite. However, due to the large uncertainties associated with the Coma Cluster measurements, we cannot yet exclude an entropy flattening in this system consistent with that seen in more relaxed cool core clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

Tuning of strong nonlinearity in radio-frequency superconducting-quantum-interference-device meta-atoms

Strong nonlinearity of a self-resonant radio-frequency (rf) superconducting-quantum-interference-device (SQUID) meta-atom is explored via intermodulation (IM) measurements. Previous work in zero dc magnetic flux showed a sharp onset of IM response as the frequency sweeps through the resonance. A second onset at higher frequency was also observed, creating a prominent gap in the IM response. By extending those measurements to nonzero dc flux, different dynamics are revealed, including dc flux tunability of the aforementioned gaps and enhanced IM response near geometric resonance of the rf SQUID. These features observed experimentally are understood and analyzed theoretically through a combination of a steady-state analytical modeling and a full numerical treatment of the rf SQUID dynamics. The latter in addition predicts the presence of chaos in narrow parameter regimes. Here, the understanding of intermodulation in rf SQUID metamaterials is important for producing low-noise amplification of microwave signals and tunable filters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding intercalation chemistry for sustainable aqueous zinc–manganese dioxide batteries

Rechargeable aqueous Zn-MnO 2 technology combines one of the oldest battery chemistries with favourable sustainability characteristics, including safety, cost and environmental compatibility. However, the ambiguous charge storage mechanism presents a challenge to fulfil the great potential of this energy technology. In this work, we leverage on advanced electron microscopy, electrochemical analysis and theoretical calculations to look into the intercalation chemistry within the cathode material, or α-MnO 2 more specifically. We show that Zn 2+ insertion into the cathode is unlikely in the aqueous system; rather, the charge storage process is dominated by proton intercalation to form α-H x MnO 2 . We further reveal anisotropic lattice change as a result of entering protons proceeding from the surface into the bulk of α-MnO 2 , which accounts for the structural failure and capacity decay of the electrode upon cycling. Our work not only advances the fundamental understanding of rechargeable zinc batteries but also suggests the possibility to optimize proton intercalation kinetics for better-performing cell designs. A rechargeable aqueous Zn-MnO 2 battery features a combination of favourable sustainability characteristics from safety to cost. The authors deploy advanced characterizations and theoretical calculations to provide fresh insight into the charge storage mechanism, which not only closes an ongoing debate but suggests ways forward.

25 ENERGY STORAGE↗

Dynamic shear localization of a titanium alloy under high-rate tension characterized by x-ray digital image correlation

Highlights: • First systematic error analyses for XDIC • First XDIC study of Ti-6Al-4V under dynamic tension • Deformation mode transition induces dynamic ductility decrease. • Dynamic shear localization due to rate-dependent microvoid coalescence process. - Abstract: Dynamic and quasi-static tension experiments are conducted on Ti-6Al-4V alloys, with in situ, synchrotron-based, high-speed, x-ray phase contrast imaging implemented to characterize the dynamic deformation and fracture process of Ti alloys at the Advanced Photon Source. X-ray digital imaging correlation (XDIC) is applied for strain field mapping. The size distribution of x-ray speckles are quantified via a morphological analysis, with a mean of ∼20 μm. Systematic error analyses of displacement and strain field measurements are firstly conducted for XDIC, and demonstrate that the displacement and strain errors can be controlled below 0.01 pixel and 0.1%, respectively. Mesoscale strain characteristics measured via XDIC are consistent with and reveal mechanisms for the bulk-scale stress–strain responses. Under dynamic tension, a sharp transition to strain softening occurs when the bulk strain exceeds about 0.04, which leads to a lower dynamic fracture strain (0.08) than the quasi-static one (0.1). The corresponding strain filed mapping demonstrates that shear deformation localizations grow and coalesce rapidly into a narrow shear deformation band under dynamic loading, while tensile deformation and necking progresses gradually under quasi-static loading. Scanning electron microscopy shows that void nucleation occurs mainly at the interface of α and β phases for both quasi-static and dynamic tension. However, microvoids coalesce preferentially along colony boundaries or the boundary α phase under quasi-static tension, but along the maximum shear stress direction (across colonies) under dynamic tension. Fractography of recovered samples also shows consistent features.

36 MATERIALS SCIENCE↗

Decadal Variability of Southeast US Rainfall in an Eddying Global Coupled Model

Abstract Ocean variability is a dominant source of remote rainfall predictability, but in many cases the physical mechanisms driving this predictability are not fully understood. This study examines how ocean mesoscales (i.e., the Gulf Stream SST front) affect decadal Southeast US (SEUS) rainfall, arguing that the local imprint of large‐scale teleconnections is sensitive to resolved mesoscale features. Based on global coupled model experiments with eddying and eddy‐parameterizing ocean, we find that a resolved Gulf Stream improves localized rainfall and remote circulation response in the SEUS. The eddying model generally improves the air‐sea interactions in the Gulf Stream and the North Atlantic Subtropical High that modulate SEUS rainfall over decadal timescales. The eddy‐parameterizing simulation fails to capture the sharp SST gradient associated with the Gulf Stream and overestimates the role of tropical Pacific SST anomalies in the SEUS rainfall.

54 ENVIRONMENTAL SCIENCES↗

Amplification of primordial perturbations from the rise or fall of the inflaton

The next generation of cosmic microwave background, gravitational wave, and large scale structure, experiments will provide an unprecedented opportunity to probe the primordial power spectrum on small scales. An exciting possibility for what lurks on small scales is a sharp rise in the primordial power spectrum: this can lead to the formation of primordial black holes, providing a dark matter candidate or the black holes observed by the LIGO-Virgo collaboration. In this study we develop a mechanism for the amplification of the small-scale primordial power spectrum, in the context of single-field inflation with a step-like feature in the inflaton potential. Specifically, we consider both the upward and the downward step in the potential. We also discuss the possibility of the strong coupling between perturbations because the rapid changes of the potential derivatives with the time-dependent field value, caused by the step-like feature, could make the coupling stronger. As a result, we find that the perturbations can remain weakly coupled yet sufficiently enhanced if the step realizes the rapid changes of the potential derivatives in some fraction of an e-fold, Script O(P R 1/2) ≲ ΔN < 1, where P R is the power spectrum of the curvature perturbation at that time. We also discuss the PBH formation rate from the inflaton trapping at the local minimum, which can occur in the potential with an upward step.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-C-207A-05: Feature Based Water Equivalent Path Length (WEPL) Determination for Proton Radiography by the Technique of Time Resolved Dose Measurement

Purpose: Studies show that WEPL can be determined from modulated dose rate functions (DRF). However, the previous calibration method based on statistics of the DRF is sensitive to energy mixing of protons due to scattering through different materials (termed as range mixing here), causing inaccuracies in the determination of WEPL. This study intends to explore time-domain features of the DRF to reduce the effect of range mixing in proton radiography (pRG) by this technique. Methods: An amorphous silicon flat panel (PaxScan™ 4030CB, Varian Medical Systems, Inc., Palo Alto, CA) was placed behind phantoms to measure DRFs from a proton beam modulated by a specially designed modulator wheel. The performance of two methods, the previously used method based on the root mean square (RMS) and the new approach based on time-domain features of the DRF, are compared for retrieving WEPL and RSP from pRG of a Gammex phantom. Results: Calibration by T{sub 80} (the time point for 80% of the major peak) was more robust to range mixing and produced WEPL with improved accuracy. The error of RSP was reduced from 8.2% to 1.7% for lung equivalent material, with the mean error for all other materials reduced from 1.2% to 0.7%. The mean error of the full width at half maximum (FWHM) of retrieved inserts was decreased from 25.85% to 5.89% for the RMS and T{sub 80} method respectively. Monte Carlo simulations in simplified cases also demonstrated that the T{sub 80} method is less sensitive to range mixing than the RMS method. Conclusion: WEPL images have been retrieved based on single flat panel measured DRFs, with inaccuracies reduced by exploiting time-domain features as the calibration parameter. The T{sub 80} method is validated to be less sensitive to range mixing and can thus retrieve the WEPL values in proximity of interfaces with improved numerical and spatial accuracy for proton radiography.

60 APPLIED LIFE SCIENCES↗

On information loss in AdS 3 /CFT 2

We discuss information loss from black hole physics in AdS 3 , focusing on two sharp signatures infecting CFT 2 correlators at large central charge c: ‘forbidden singularities’ arising from Euclidean-time periodicity due to the effective Hawking temperature, and late-time exponential decay in the Lorentzian region. We study an infinite class of examples where forbidden singularities can be resolved by non-perturbative effects at finite c, and we show that the resolution has certain universal features that also apply in the general case. Analytically continuing to the Lorentzian regime, we find that the non-perturbative effects that resolve forbidden singularities qualitatively change the behavior of correlators at times t ~S BH , the black hole entropy. This may resolve the exponential decay of correlators at late times in black hole backgrounds. By Borel resumming the 1/c expansion of exact examples, we explicitly identify ‘information-restoring’ effects from heavy states that should correspond to classical solutions in AdS 3 . Lastly, our results suggest a line of inquiry towards a more precise formulation of the gravitational path integral in AdS 3 .

1/N expansion↗

A high-resolution X-ray and optical study of SN 1006: asymmetric expansion and small-scale structure in a type IA supernova remnant

We introduce a deep (670 ks) X-ray survey of the entire SN 1006 remnant from the Chandra X-Ray Observatory, together with a deep Hα image of SN 1006 from the 4 m Blanco telescope at CTIO. Comparison with Chandra images from 2003 gives the first measurement of the X-ray proper motions around the entire periphery, carried out over a 9 yr baseline. We find that the expansion velocity varies significantly with azimuth. The highest velocity of ∼7400 km s{sup –1} (almost 2.5 times that in the northwest (NW)) is found along the southeast (SE) periphery, where both the kinematics and the spectra indicate that most of the X-ray emission stems from ejecta that have been decelerated little, if at all. Asymmetries in the distribution of ejecta are seen on a variety of spatial scales. Si-rich ejecta are especially prominent in the SE quadrant, while O and Mg are more uniformly distributed, indicating large-scale asymmetries arising from the explosion itself. Neon emission is strongest in a sharp filament just behind the primary shock along the NW rim, where the pre-shock density is highest. Here the Ne is likely interstellar, while Ne within the shell may include a contribution from ejecta. Within the interior of the projected shell we find a few isolated 'bullets' of what appear to be supernova ejecta that are immediately preceded by bowshocks seen in Hα, features that we interpret as ejecta knots that have reached relatively dense regions of the surrounding interstellar medium, but that appear in the interior in projection. Recent three-dimensional hydrodynamic models for Type Ia supernovae display small-scale features that strongly resemble the ones seen in X-rays in SN 1006; an origin in the explosion itself or from subsequent hydrodynamic instabilities both remain viable options. We have expanded the search for precursor X-ray emission ahead of a synchrotron-dominated shock front, as expected from diffusive shock acceleration theory, to numerous regions along both the northeast and southwest rims of the shell. Our data require that a precursor be thinner than about 3'', and fainter than about 5% of the post-shock peak. These limits suggest that the magnetic field is amplified by a factor of seven or more in a narrow precursor region, promoting diffusive particle acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗

The Knotted Sky I: Planck constraints on the primordial power spectrum

Using the temperature data from Planck we search for departures from a power-law primordial power spectrum, employing Bayesian model-selection and posterior probabilities. We parametrize the spectrum with n knots located at arbitrary values of logk, with both linear and cubic splines. This formulation recovers both slow modulations and sharp transitions in the primordial spectrum. The power spectrum is well-fit by a featureless, power-law at wavenumbers k>10{sup -3} Mpc{sup -1}. A modulated primordial spectrum yields a better fit relative to ΛCDM at large scales, but there is no strong evidence for a departure from a power-law spectrum. Moreover, using simulated maps we show that a local feature at k ∼ 10{sup -3} Mpc{sup -1} can mimic the suppression of large-scale power. With multi-knot spectra we see only small changes in the posterior distributions for the other free parameters in the standard ΛCDM universe. Lastly, we investigate whether the hemispherical power asymmetry is explained by independent features in the primordial power spectrum in each ecliptic hemisphere, but find no significant differences between them.

79 ASTRONOMY AND ASTROPHYSICS↗

Near-Monochromatic Tuneable Cryogenic Niobium Electron Field Emitter

We report creating, manipulating, and detecting coherent electrons is at the heart of future quantum microscopy and spectroscopy technologies. Leveraging and specifically altering the quantum features of an electron beam source at low temperatures can enhance its emission properties. Here, we describe electron field emission from a monocrystalline, superconducting niobium nanotip at a temperature of 5.9 K. The emitted electron energy spectrum reveals an ultranarrow distribution down to 16 meV due to tunable resonant tunneling field emission via localized band states at a nanoprotrusion’s apex and a cutoff at the sharp low-temperature Fermi edge. This is an order of magnitude lower than for conventional field emission electron sources. The self-focusing geometry of the tip leads to emission in an angle of 3.7°, a reduced brightness of 3.8 × 10 8 A/(m 2 srV), and a stability of hours at 4.1 nA beam current and 69 meV energy width. This source will decrease the impact of lens aberration and enable new modes in low-energy electron microscopy, electron energy loss spectroscopy, and high-resolution vibrational spectroscopy.

36 MATERIALS SCIENCE↗

Influence of Heat Treatments on the Near-Surface Tritium Concentration Profiles

Austenitic stainless steel, type 316, absorbs significant quantities of tritium into the near surface (<1 μm) on exposure to tritium containing gases at room temperature. The tritium concentrations that develop in the near-surface region (<1 μm) are shown to persist for several years without changing. The current work shows the effect of heat treatments on the near-surface tritium-concentration profiles in stainless steel. Identical stainless-steel samples were exposed to tritium at room temperature and then were heated to different temperatures between 100 and 300°C for two hours under a stagnant argon atmosphere. After this initial preheating, the concentration profiles in the first 10 μm were measured by using a combination of a ZnCl2 wash and an etching procedure. Tritium was thermally released by heating the samples to 550°C to measure the residual tritium present in the bulk of the sample. The data show two dominant features. First, preheating causes tritium to migrate both out of the sample and deeper than >1 μm into the bulk. Furthermore, this effect increases with increasing temperature. Second, depletion of tritium from the near surface does not occur until a temperature of 200°C.

36 MATERIALS SCIENCE↗