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At least 1,135 records · Page 63

Sterile neutrinos and flavor ratios in IceCube

The flavor composition of astrophysical neutrinos observed in neutrino telescopes is a powerful discriminator between different astrophysical neutrino production mechanisms and can also teach us about the particle physics properties of neutrinos. In this paper, we investigate how the possible existence of light sterile neutrinos can affect these flavor ratios. We consider two scenarios: (i) neutrino production in conventional astrophysical sources, followed by partial oscillation into sterile states; (ii) neutrinos from dark matter decay with a primary flavor composition enhanced in tau neutrinos or sterile neutrinos. Throughout the paper, we constrain the sterile neutrino mixing parameters from a full global fit to short and long baseline data. We present our results in the form of flavor triangles and, for scenario (ii), as exclusion limits on the dark matter mass and lifetime, derived from a fit to IceCube high energy starting events and through-going muons. We argue that identifying a possible flux of neutrinos from dark matter decay may require analyzing the flavor composition as a function of neutrino energy.

79 ASTRONOMY AND ASTROPHYSICS↗

Mg x Zn 1−x O contact to CuGa 3 Se 5 absorber for photovoltaic and photoelectrochemical devices

Abstract CuGa 3 Se 5 is a promising candidate material with wide band gap for top cells in tandem photovoltaic and photoelectrochemical (PEC) devices. However, traditional CdS contact layers used with other chalcopyrite absorbers are not suitable for CuGa 3 Se 5 due to the higher position of its conduction band (CB) minimum. Mg x Zn 1− x O (MZO) is a transparent oxide with adjustable band gap and CB position as a function of magnesium composition, but its direct application is hindered by CuGa 3 Se 5 surface oxidation. Here, MZO is investigated as a contact (n-type ‘buffer’ or ‘window’) material to CuGa 3 Se 5 absorbers pretreated in Cd 2+ solution, and an onset potential close to 1 V vs reversible hydrogen electrode in 10 mM hexaammineruthenium (III) chloride electrolyte is demonstrated. The Cd 2+ surface treatment changes the chemical composition and electronic structure of the CuGa 3 Se 5 surface, as demonstrated by photoelectron spectroscopy measurements. The performance of CuGa 3 Se 5 absorber with Cd 2+ treated surface in the solid-state test structure depends on the Zn/Mg ratio in the MZO layer. The measured open circuit voltage of 925 mV is promising for tandem PEC water splitting with CuGa 3 Se 5 /MZO top cells.

36 MATERIALS SCIENCE↗

Characterizing Canopy Openness in Open Forests: Spherical Densiometer and Canopy Photography Are Equivalent but Less Sensitive than Direct Measurements of Solar Radiation

In forest ecosystems, canopy openness affects understory light availability, plant growth, and tree species recruitment, thus shaping future forest composition, structure, and functional diversity. Foresters must correctly and quickly measure canopy openness to meet their management objectives. To help guide the selection of an appropriate method for measuring canopy openness, we compared three common techniques that vary in cost, complexity, and time required for measurements and data processing: smartphone-based hemispherical photography, spherical densiometer measurements, and direct measurements of solar radiation (using AccuPAR ceptometer). We measured canopy openness using these three methods on 28 permanent forest health monitoring plots in pine-oak forests of the Central Pine Barrens of Long Island in New York State. By analysis of variance and regression analyses, we found the three methods (particularly densiometer and hemispherical photographs) yielded broadly equivalent and strongly positively correlated descriptions of canopy openness. The direct measurements of solar radiation seemed to have a greater potential to detect subtle variation in forest understory light. Forest managers may sufficiently characterize canopy openness using quick and cheap methods (e.g., spherical densiometers) and avoid larger costs of devices for direct light measurements (e.g., ceptometers) and the larger data processing times of hemispherical photography.

54 ENVIRONMENTAL SCIENCES↗

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

Neutron and x-ray scattering measurements were performed on (Na 1/2 Bi 1/2 )TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Remote sensing from unoccupied aerial systems: Opportunities to enhance Arctic plant ecology in a changing climate

The Arctic is warming at a faster rate than any other biome on Earth, resulting in widespread changes in vegetation composition, structure, and function that have important feedbacks to the global climate system. The heterogeneous nature of arctic landscapes creates challenges for monitoring and improving understanding of these ecosystems, as current efforts typically rely on ground, airborne, or satellite-based observations that are limited in space, time, or pixel resolution. The use of remote sensing instruments on small Unoccupied Aerial Systems (UASs) has emerged as an important tool to bridge the gap between detailed, but spatially limited ground-level measurements, and lower resolution, but spatially extensive high-altitude airborne and satellite observations. UASs allow researchers to view, describe and quantify vegetation dynamics at fine spatial scales (1-10 cm) over areas much larger than typical field plots. UASs can be deployed with a high degree of temporal flexibility, enabling observation across diurnal, seasonal, and annual timescales. In this work, we review how established and emerging UAS remote sensing technologies can enhance arctic plant ecological research by quantifying fine-scale vegetation patterns and processes, and by enhancing the ability to link ground-based measurements with broader-scale information obtained from airborne and satellite platforms. Synthesis: Improved ecological understanding and model representation of arctic vegetation is needed to forecast the fate of the Arctic in a rapidly changing climate. Observations from UASs provide an approach to address this need, however, the use of this technology in the Arctic currently remains limited. Here we share recommendations to better enable and encourage the use of UASs to improve the description, scaling, and model representation of arctic vegetation.

54 ENVIRONMENTAL SCIENCES↗

Phase Stability in Nanocrystals: A Predictive Diagram for Yttria–Zirconia

Predicting the polymorphic stability of nanocrystals entails taking into account the thermodynamic effects from solid–vapor interfaces. With recent advances in microcalorimetry, it is finally possible to obtain reliable surface energy data which allow building of predictive diagrams, such as the usual phase diagrams for bulk crystals, for nanocrystals. Yttria doped zirconia (YZ) is currently utilized in a variety of applications; making it one of the most studied oxide systems to date. However, the polymorphism of nanocrystalline YZ (nYZ) is much less understood as compared to its bulk counterpart, and the stability conditions of cubic, tetragonal, monoclinic, and amorphous polymorphs at the nanoscale is so far only empirically defined. In this work, we present a new predictive nanoscale phase diagram for nYZ using unprecedented data on surface energies and bulk enthalpies acquired by microcalorimetry. The phase diagram shows the stable zirconia polymorph as a function of the composition and size. This is a useful tool and an important and novel advancement to relatively untouched bulk phase diagrams, which holds the key for reliable materials' design.

Drazin, John W.↗

A new method for measuring refractory corrosion of ceramics in glass

Abstract Nuclear waste glass vitrification furnaces are lined with refractory ceramic blocks to contain the molten glass. The refractory liner is susceptible to corrosion and has a finite service lifetime. For this reason, predicting the refractory corrosion in contact with molten glass is integral to estimating melter service lifetime. Standardized laboratory tests varying time and temperature are commonly performed to estimate refractory material loss as a function of glass composition. These data are time and resource‐intensive to collect and are susceptible to considerable measurement error. In order to accelerate glass formulation and design for nuclear waste vitrification, methods are needed to increase laboratory‐scale throughput while maintaining data quality. In this work, a method to remove the residual glass from a corroded coupon using hydrofluoric acid is presented that accelerates the throughput of sample analysis while simultaneously facilitating more accurate measurements.

Amoroso, Jake W. [Savannah River National Laborato↗

Optimization of a dual-energy contrast-enhanced technique for a photon-counting digital breast tomosynthesis system: II. An experimental validation

Purpose: Previously, the authors developed a dual-energy (DE) acquisition technique for a photon-counting digital breast tomosynthesis (DBT) imaging system. Low-energy (LE) and high-energy (HE) images are acquired in a single scan by covering alternate slits of a multislit prepatient collimator with Sn and Cu, respectively. A theoretical model was used to optimize the technique. In this article, an experimental validation of this technique is presented. Methods: Experiments were performed on a prototype DBT system. LE and HE projection images were acquired sequentially; either a Sn or a Cu filter was positioned in the filter holder at the exit window of the x-ray tube. Sn filters from 0.113 to 0.242 mm thick and Cu filters from 0.103 to 0.267 mm were used. The images were acquired with a W target at 49 kV. Tomographic images, hereafter referred to as DBT images, were reconstructed using a shift-and-add algorithm. DE-DBT images were obtained by weighted logarithmic subtraction of the LE and HE images. Weighting factors w{sub t} that optimally cancel breast tissues with two different glandularities were assessed for 20-80 mm thick phantoms with 0%, 50%, and 100% glandularity. The mean and standard deviation in the per-pixel signal intensity (SI) were calculated in the DBT images. These data were used to calculate signal-difference-to-noise ratios (SDNRs) between iodine enhanced and nonenhanced polymethyl methacrylate backgrounds. To illustrate the feasibility of the technique, DE-DBT images of a structured phantom containing iodine disks were assessed. The experimental results were compared against the values obtained from a theoretical model of the imaging system. Results: The average difference between theoretical and experimental w{sub t} was found to range from 8% to 21%. Experimental w{sub t} values increase with phantom thickness and Cu thickness, depend somewhat on Sn thickness, and vary more as a function of breast composition in thick breasts than in thin breasts. Theoretical and experimental mean and standard deviation in the per-pixel SI differ by -7% to 10% and by -3% to 4%. Theoretical and experimental SDNR values differ, on average, by 1.5%. Iodine concentrations can be predicted from SDNR; the relationship can be accurately fit to a quadratic. In the images of the structured phantom, iodine concentrations of 1 mg/cm{sup 2} and larger are discernable. Conclusions: The strong agreement between experimental and theoretical results in this article indicates that the authors' computer model is accurate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Imaging antiferromagnetic domain fluctuations and the effect of atomic scale disorder in a doped spin-orbit Mott insulator

Correlated oxides can exhibit complex magnetic patterns. Understanding how magnetic domains form in the presence of disorder and their robustness to temperature variations has been of particular interest, but atomic scale insight has been limited. We use spin-polarized scanning tunneling microscopy to image the evolution of spin-resolved modulations originating from antiferromagnetic (AF) ordering in a spin-orbit Mott insulator perovskite iridate Sr 3 Ir 2 O 7 as a function of chemical composition and temperature. We find that replacing only several percent of lanthanum for strontium leaves behind nanometer-scale AF puddles clustering away from lanthanum substitutions preferentially located in the middle strontium oxide layer. Thermal erasure and reentry into the low-temperature ground state leads to a spatial reorganization of the AF puddles, which nevertheless maintain scale-invariant fractal geometry in each configuration. Our experiments reveal multiple stable AF configurations at low temperature and shed light onto spatial fluctuations of the AF order around atomic scale disorder in electron-doped Sr 3 Ir 2 O 7 .

36 MATERIALS SCIENCE↗

Dispersion of the refractive index of epitaxial Pb{sub 1-x}Eu{sub x}Te (0 {<=} x {<=} 1) alloy layers below the absorption edge

The transmittance spectra of epitaxial Pb{sub 1-x}Eu{sub x}Te (0 {<=}x {<=} 0.1) alloy layers are exploited to study the dispersion of their refractive index in the spectral range from 650 to 8000 cm{sup -1} (below the absorption edge). The refractive index and the position of the absorption edge as functions of the composition parameter of the alloys are determined at two temperatures, 80 and 295 K. The refractive index is calculated in the context of the classic wave concepts of propagation of electromagnetic radiation. The experimentally determined dispersion dependences are described by the empiric Sellmeier expression of the second order. From analysis of the transmittance of the layers, it follows that the band gap of the epitaxial Pb{sub 1-x}Eu{sub x}Te alloys increases with increasing temperature at x < 0.5 and decreases at x > 0.5.

36 MATERIALS SCIENCE↗

On the Phase Composition, Morphology, and Optical and Electronic Characteristics of AlN Nanofilms Grown on Misoriented GaAs(100) Substrates

Thin AlN nanofilms are produced by reactive ion-plasma deposition onto GaAs(100) substrates misoriented with respect to the 〈100〉 direction to different degrees. It is shown that growth on substrates misoriented with respect to the 〈100〉 direction to different degrees results in the formation of AlN films with different phase compositions and crystal states. An increase in the degree of misorientation of the GaAs(100) substrate used for growth influences both the structural quality of AlN nanofilms and their electronic structure, surface morphology, and optical properties. Thus, the morphology, surface composition, and optical functional characteristics of AlN/GaAs(100) heterophase systems can be controlled using differently misoriented GaAs(100) substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of 2D Transport and Performance Characteristics for Lateral Power Devices Based on AlGaN Alloys

In this paper, predicted lateral power device performance as a function of alloy composition is characterized by a standard lateral device figure-of-merit (LFOM) that depends on mobility, critical electric field, and sheet carrier density. The paper presents calculations of AlGaN electron mobility in lateral devices such as HEMTs across the entire alloy composition range. Alloy scattering and optical polar phonon scattering are the dominant mechanisms limiting carrier mobility. Due to the significant degradation of mobility from alloy scattering, at room temperature Al fractions greater than about 85% are required for improved LFOM relative to GaN using a conservative sheet charge density of 1 × 10 13 cm –2 . However, at higher temperatures at which AlGaN power devices are anticipated to operate, this “breakeven” composition decreases to about 65% at 500 K, for example. For high-frequency applications, the Johnson figure-of-merit (JFOM) is the relevant metric to compare potential device performance across materials platforms. At room temperature, the JFOM for AlGaN alloys is predicted to surpass that of GaN for Al fractions greater than about 40%.

36 MATERIALS SCIENCE↗

First Principles Calculations of Oxygen Vacancy Formation and Migration in Ba 1-x Sr x Co 1-y FeyO 3-δ Perovskites

Based on first principles DFT calculations, we analyze oxygen vacancy formation and migration energies as a function of chemical composition in complex multicomponent (Ba,Sr)(Co,Fe)O 3-δ perovskites which are candidate materials for SOFC cathodes and permeation membranes. The atomic relaxation, electronic charge redistribution and energies of the transition states of oxygen migration are compared for several perovskites to elucidate the atomistic reason for the exceptionally low migration barrier in Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ that was previously determined experimentally. The critical comparison of Ba 1-x Sr x Co 1-y FeyO 3-δ perovskites with different cation compositions and arrangements shows that in addition to the geometric constraints the electronic structure plays a considerable role for the height of the oxygen migration barrier in these materials. These findings help understand advantages and limitations of the fast oxygen permeation and exchange properties of Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ .

36 MATERIALS SCIENCE↗

Performance and Architecture Lab Modeling Tool

Analytical application performance models are critical for diagnosing performance-limiting resources, optimizing systems, and designing machines. Creating models, however, is difficult. Furthermore, models are frequently expressed in forms that are hard to distribute and validate. The Performance and Architecture Lab Modeling tool, or Palm, is a modeling tool designed to make application modeling easier. Palm provides a source code modeling annotation language. Not only does the modeling language divide the modeling task into sub problems, it formally links an application's source code with its model. This link is important because a model's purpose is to capture application behavior. Furthermore, this link makes it possible to define rules for generating models according to source code organization. Palm generates hierarchical models according to well-defined rules. Given an application, a set of annotations, and a representative execution environment, Palm will generate the same model. A generated model is a an executable program whose constituent parts directly correspond to the modeled application. Palm generates models by combining top-down (human-provided) semantic insight with bottom-up static and dynamic analysis. A model's hierarchy is defined by static and dynamic source code structure. Because Palm coordinates models and source code, Palm's models are 'first-class' and reproducible. Palm automates common modeling tasks. For instance, Palm incorporates measurements to focus attention, represent constant behavior, and validate models. Palm's workflow is as follows. The workflow's input is source code annotated with Palm modeling annotations. The most important annotation models an instance of a block of code. Given annotated source code, the Palm Compiler produces executables and the Palm Monitor collects a representative performance profile. The Palm Generator synthesizes a model based on the static and dynamic mapping of annotations to program behavior. The model -- an executable program -- is a hierarchical composition of annotation functions, synthesized functions, statistics for runtime values, and performance measurements.

Tallent, Nathan↗

Comparison of sugar content for ionic liquid pretreated Douglas-fir woodchips and forestry residues

The development of affordable woody biomass feedstocks represents a significant opportunity in the development of cellulosic biofuels. Primary woodchips produced by forest mills are considered an ideal feedstock, but the prices they command on the market are currently too expensive for biorefineries. In comparison, forestry residues represent a potential low-cost input but are considered a more challenging feedstock for sugar production due to complexities in composition and potential contamination arising from soil that may be present. We compare the sugar yields, changes in composition in Douglas-fir woodchips and forestry residues after pretreatment using ionic liquids and enzymatic saccharification in order to determine if this approach can efficiently liberate fermentable sugars. : These samples were either mechanically milled through a 2 mm mesh or pretreated as received with the ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate [C 2 mim][OAc] at 120°C and 160°C. IL pretreatment of Douglas-fir woodchips and forestry residues resulted in approximately 71-92% glucose yields after enzymatic saccharification. X-ray diffraction (XRD) showed that the pretreated cellulose was less crystalline after IL pretreatment as compared to untreated control samples. Two-dimensional nuclear magnetic resonance spectroscopy (2D-NMR) revealed changes in lignin and hemicellulose structure and composition as a function of pretreatment. Mass balances of sugar and lignin streams for both the Douglas-fir woodchips and forestry residues throughout the pretreatment and enzymatic saccharification processes are presented. While the highest sugar yields were observed with the Douglas-fir woodchips, reasonably high sugar yields were obtained from forestry residues after ionic liquid pretreatment. Structural changes to lignin, cellulose and hemicellulose in the woodchips and forestry residues of Douglas-fir after [C 2 mim][OAc] pretreatment are analyzed by XRD and 2D-NMR, and indicate that significant changes occurred. Irrespective of the particle sizes used in this study, ionic liquid pretreatment successfully allowed high glucose yields after enzymatic saccharification. These results indicate that forestry residues may be a more viable feedstock than previously thought for the production of biofuels.

59 BASIC BIOLOGICAL SCIENCES↗

Description of Axial Detail for ROK Fuel

For the purpose of NDA simulations of the ROK fuel assemblies, we have developed an axial burnup distribution to represent the pins themselves based on gamma scans of rods in the G23 assembly. For the purpose of modeling the G23 assembly (both at ORNL and LANL), the pin-by-pin burnup map as simulated by ROK is being assumed to represent the radial burnup distribution. However, both DA and NDA results indicate that this simulated estimate is not 100% correct. In particular, the burnup obtained from the axial gamma scan of 7 pins does not represent exactly the same 'average' pin burnup as the ROK simulation. Correction for this discrepancy is a goal of the well-characterized assembly task but will take time. For now, I have come up with a correlation for 26 axial points of the burnup as obtained by gamma scans of 7 different rods (C13, G01, G02, J11, K10, L02, and M04, neglecting K02 at this time) to the average burnup given by the simulation for each of the rods individually. The resulting fraction in each axial zone is then averaged for the 7 different rods so that it can represent every fuel pin in the assembly. The burnup in each of the 26 axial zones of rods in all ROK assemblies will then be directly adjusted using this fraction, which is given in Table 1. Note that the gamma scan data given by ROK for assembly G23 included a length of ~3686 mm, so the first 12 mm and the last 14 mm were ignored to give an actual rod length of ~366 cm. To represent assembly F02 in which no pin-by-pin burnup distribution is given by ROK, we must model it using infinitely-reflected geometry but can look at the effects of measuring in different axial zones by using intermediate burnup files (i.e. smaller burnups than 28 GWd/MTU) and determining which axial zone(s) each burnup represents. Details for assembly F02 are then given in Tables 2 and 3, which is given in Table 1 and has 44 total axial zones to represent the top meter in explicit detail in addition to the other 26 zones. Note that the MCNP files for F02 were created using the Monte Carlo burnup linkage code Monteburns, which saves MCNP input files with detailed compositions as a function of burnup. The 'intermediate burnup files' produced for F02 include a cooling time of 27 years. The axial location of 5 spacers was also included in the ROK F02 assembly in which each spacer contained a length of 3.81 cm. Note that due to the nature of Monteburns, which was run in a special fashion for this problem, the step number increments after the 27 year decay, so the second column of Table 2 refers to the step number that should be used in the Monteburns files.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Updated FY12 Ceramic Fuels Irradiation Test Plan

The Fuel Cycle Research and Development program is currently devoting resources to study of numerous fuel types with the aim of furthering understanding applicable to a range of reactors and fuel cycles. In FY11, effort within the ceramic fuels campaign focused on planning and preparation for a series of rabbit irradiations to be conducted at the High Flux Isotope Reactor located at Oak Ridge National Laboratory. The emphasis of these planned tests was to study the evolution of thermal conductivity in uranium dioxide and derivative compositions as a function of damage induced by neutron damage. Current fiscal realities have resulted in a scenario where completion of the planned rabbit irradiations is unlikely. Possibilities for execution of irradiation testing within the ceramic fuels campaign in the next several years will thus likely be restricted to avenues where strong synergies exist both within and outside the Fuel Cycle Research and Development program. Opportunities to augment the interests and needs of modeling, advanced characterization, and other campaigns present the most likely avenues for further work. These possibilities will be pursued with the hope of securing future funding. Utilization of synthetic microstructures prepared to better understand the most relevant actors encountered during irradiation of ceramic fuels thus represents the ceramic fuel campaign's most efficient means to enhance understanding of fuel response to burnup. This approach offers many of the favorable attributes embraced by the Separate Effects Testing paradigm, namely production of samples suitable to study specific, isolated phenomena. The recent success of xenon-imbedded thick films is representative of this approach. In the coming years, this strategy will be expanded to address a wider range of problems in conjunction with use of national user facilities novel characterization techniques to best utilize programmatic resources to support a science-based research program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integrated Disposal Facility FY 2012 Glass Testing Summary Report

PNNL is conducting work to provide the technical basis for estimating radionuclide release from the engineered portion of the disposal facility for Hanford immobilized low-activity waste (ILAW). Before the ILAW can be disposed, DOE must conduct a performance assessment (PA) for the Integrated Disposal Facility (IDF) that describes the long-term impacts of the disposal facility on public health and environmental resources. As part of the ILAW glass testing program, PNNL is implementing a strategy, consisting of experimentation and modeling, to provide the technical basis for estimating radionuclide release from the glass waste form in support of future IDF PAs. Key activities in FY12 include upgrading the STOMP/eSTOMP codes to do near-field modeling, geochemical modeling of PCT tests to determine the reaction network to be used in the STOMP codes, conducting PUF tests on selected glasses to simulate and accelerate glass weathering, developing a Monte Carlo simulation tool to predict the characteristics of the weathered glass reaction layer as a function of glass composition, and characterizing glasses and soil samples exhumed from an 8-year lysimeter test. The purpose of this report is to summarize the progress made in fiscal year (FY) 2012 and the first quarter of FY 2013 toward implementing the strategy with the goal of developing an understanding of the long-term corrosion behavior of LAW glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗