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

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At least 1,171 records · Page 65

Microscale Metabolic, Redox and Abiotic Reactions in Hanford 300 Area Subsurface Sediments

The Hanford 300 Area is a unique site due to periodic hydrologic influence of river water resulting in changes in groundwater elevation and flow direction. This area is also highly subject to uranium remobilization, the source of which is currently believed to be the region at the base of the vadose zone that is subject to period saturation due to the changes in the water levels in the Columbia River. We found that microbial processes and redox and abiotic reactions which operate at the microscale were critical to understanding factors controlling the macroscopic fate and transport of contaminants in the subsurface. The combined laboratory and field research showed how microscale conditions control uranium mobility and how biotic, abiotic and redox reactions relate to each other. Our findings extended the current knowledge to examine U(VI) reduction and immobilization using natural 300 Area communities as well as selected model organisms on redox-sensitive and redox-insensitive minerals. Using innovative techniques developed specifically to probe biogeochemical processes at the microscale, our research expanded our current understanding of the roles played by mineral surfaces, bacterial competition, and local biotic, abiotic and redox reaction rates on the reduction and immobilization of uranium.

59 BASIC BIOLOGICAL SCIENCES↗

ATRC Neutron Detector Testing Quick Look Report

As part of the Advanced Test Reactor (ATR) National Scientific User Facility (NSUF) program, a joint Idaho State University (ISU) / French Alternative Energies and Atomic Energy Commission (CEA) / Idaho National Laboratory (INL) project was initiated in FY-10 to investigate the feasibility of using neutron sensors to provide online measurements of the neutron flux and fission reaction rate in the ATR Critical Facility (ATRC). A second objective was to provide initial neutron spectrum and flux distribution information for physics modeling and code validation using neutron activation based techniques in ATRC as well as ATR during depressurized operations. Detailed activation spectrometry measurements were made in the flux traps and in selected fuel elements, along with standard fission rate distribution measurements at selected core locations. These measurements provide additional calibration data for the real-time sensors of interest as well as provide benchmark neutronics data that will be useful for the ATR Life Extension Program (LEP) Computational Methods and V&V Upgrade project. As part of this effort, techniques developed by Prof. George Imel will be applied by Idaho State University (ISU) for assessing the performance of various flux detectors to develop detailed procedures for initial and follow-on calibrations of these sensors. In addition to comparing data obtained from each type of detector, calculations will be performed to assess the performance of and reduce uncertainties in flux detection sensors and compare data obtained from these sensors with existing integral methods employed at the ATRC. The neutron detectors required for this project were provided to team participants at no cost. Activation detectors (foils and wires) from an existing, well-characterized INL inventory were employed. Furthermore, as part of an on-going ATR NSUF international cooperation, the CEA sent INL three miniature fission chambers (one for detecting fast flux and two for detecting thermal flux) with associated electronics for assessment. In addition, Prof. Imel, ISU, has access to an inventory of Self-Powered Neutron Detectors (SPNDs) with a range of response times as well as Back-to-Back (BTB) fission chambers from prior research he conducted at the Transient REActor Test Facility (TREAT) facility and Neutron RADiography (NRAD) reactors. Finally, SPNDs from the National Atomic Energy Commission of Argentina (CNEA) were provided in connection with the INL effort to upgrade ATR computational methods and V&V protocols that are underway as part of the ATR LEP. Work during fiscal year 2010 (FY10) focussed on design and construction of Experiment Guide Tubes (EGTs) for positioning the flux detectors in the ATRC N-16 locations as well as obtaining ATRC staff concurrence for the detector evaluations. Initial evaluations with CEA researchers were also started in FY10 but were cut short due to reactor reliability issues. Reactor availability issues caused experimental work to be delayed during FY11/12. In FY13, work resumed; and evaluations were completed. The objective of this "Quick Look" report is to summarize experimental activities performed from April 4, 2013 through May 16, 2013.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas

In this project, we have developed techniques for visualizing large-scale time-varying multivariate particle and field data produced by the GPS_TTBP team. Our basic approach to particle data visualization is to provide the user with an intuitive interactive interface for exploring the data. We have designed a multivariate filtering interface for scientists to effortlessly isolate those particles of interest for revealing structures in densely packed particles as well as the temporal behaviors of selected particles. With such a visualization system, scientists on the GPS-TTBP project can validate known relationships and temporal trends, and possibly gain new insights in their simulations. We have tested the system using over several millions of particles on a single PC. We will also need to address the scalability of the system to handle billions of particles using a cluster of PCs. To visualize the field data, we choose to use direct volume rendering. Because the data provided by PPPL is on a curvilinear mesh, several processing steps have to be taken. The mesh is curvilinear in nature, following the shape of a deformed torus. Additionally, in order to properly interpolate between the given slices we cannot use simple linear interpolation in Cartesian space but instead have to interpolate along the magnetic field lines given to us by the scientists. With these limitations, building a system that can provide an accurate visualization of the dataset is quite a challenge to overcome. In the end we use a combination of deformation methods such as deformation textures in order to fit a normal torus into their deformed torus, allowing us to store the data in toroidal coordinates in order to take advantage of modern GPUs to perform the interpolation along the field lines for us. The resulting new rendering capability produces visualizations at a quality and detail level previously not available to the scientists at the PPPL. In summary, in this project we have successfully created new capabilities for the scientists to visualize their 3D data at higher accuracy and quality, enhancing their ability to evaluate the simulations and understand the modeled phenomena.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A G/NARRLI Effort. Measuring the Ionization Yield of Low-Energy Nuclear Recoils in Liquid Argon

Liquid argon has long been used for particle detection due to its attractive drift properties, ample abundance, and reasonable density. The response of liquid argon to lowenergy O(10 2 -10 4 4 eV) interactions is, however, largely unexplored. Weakly interacting massive particles such as neutrinos and hypothetical dark-matter particles (WIMPs) are predicted to coherently scatter on atomic nuclei, leaving only an isolated low-energy nuclear recoil as evidence. The response of liquid argon to low-energy nuclear recoils must be studied to determine the sensitivity of liquid argon based detectors to these unobserved interactions. Detectors sensitive to coherent neutrino-nucleus scattering may be used to monitor nuclear reactors from a distance, to detect neutrinos from supernova, and to test the predicted behavior of neutrinos. Additionally, direct detection of hypothetical weakly interacting dark matter would be a large step toward understanding the substance that accounts for nearly 27% of the universe. In this dissertation I discuss a small dual-phase (liquid-gas) argon proportional scintillation counter built to study the low-energy regime and several novel calibration and characterization techniques developed to study the response of liquid argon to low-energy O(10 2 -10 4 eV) interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Determination of Method Detection Limits for Trace 232-Thorium and 238-Uranium in Copper using Ion Exchange and ICPMS

Based on the MAJORANA DEMONSTRATOR (MJD) simulations task group calculations, the copper used in the inner shield and detector components require purity levels of <0.3 µBq 238 U/kg Cu and <0.3 µBq 232 Th/kg Cu. The MAJORANA Collaboration is endeavoring to achieve this goal by electroforming copper using ultra-clean materials in facilities at PNNL and SURF. In this document, a broadly accepted U.S. Environmental Protection Agency method is used to evaluate an ion exchange technique, developed at PNNL, for determining sensitivity in the assay of copper for trace levels of thorium and uranium. These data indicate that, in all cases, the assay sensitivity and material limits are being met.

Hoppe, Eric W.↗

Performance Health Monitoring of Large-Scale Systems

This report details the progress made on the ASCR funded project Performance Health Monitoring for Large Scale Systems. A large-­scale application may not achieve its full performance potential due to degraded performance of even a single subsystem. Detecting performance faults, isolating them, and taking remedial action is critical for the scale of systems on the horizon. PHM aims to develop techniques and tools that can be used to identify and mitigate such performance problems. We accomplish this through two main aspects. The PHM framework encompasses diagnostics, system monitoring, fault isolation, and performance evaluation capabilities that indicates when a performance fault has been detected, either due to an anomaly present in the system itself or due to contention for shared resources between concurrently executing jobs. Software components called the PHM Control system then build upon the capabilities provided by the PHM framework to mitigate degradation caused by performance problems.

97 MATHEMATICS AND COMPUTING↗

Semiconductor Nanostructures By Scientific Design

The goals and objectives of the present proposal are very much aligned with those of the previous award cycle. In the last three years we investigated semiconducting nanoparticles, nanowires and nanocomposites to understand and optimize their optical properties for solar applications and their heat transport properties for thermoelectric applications. We focused on understanding the role of surfaces and interfaces; our study included the investigation of surfactants, in particular of the role of van der Waals forces in binding surfactants to specific substrates. In addition to addressing specific nanoscience and materials science problems, we developed techniques and codes of general applicability. The investigations carried out in the past three years have resulted in 10 published papers in peer reviewed journals (including NL, ACS Nano and PRL) and in 3 papers submitted for publication in 2012 (now appeared).

36 MATERIALS SCIENCE↗

Assessing Regional Scale Variability in Extreme Value Statistics Under Altered Climate Scenarios

Recent studies have suggested that low-frequency modes of climate variability can significantly influence regional climate. The climatology associated with extreme events has been shown to be particularly sensitive. This has profound implications for droughts, heat waves, and food production. We propose to examine regional climate simulations conducted over the continental United States by applying a recently developed technique which combines wavelet multi–resolution analysis with information theory metrics. This research is motivated by two fundamental questions concerning the spatial and temporal structure of extreme events. These questions are 1) what temporal scales of the extreme value distributions are most sensitive to alteration by low-frequency climate forcings and 2) what is the nature of the spatial structure of variation in these timescales? The primary objective is to assess to what extent information theory metrics can be useful in characterizing the nature of extreme weather phenomena. Specifically, we hypothesize that (1) changes in the nature of extreme events will impact the temporal probability density functions and that information theory metrics will be sensitive these changes and (2) via a wavelet multi–resolution analysis, we will be able to characterize the relative contribution of different timescales on the stochastic nature of extreme events. In order to address these hypotheses, we propose a unique combination of an established regional climate modeling approach and advanced statistical techniques to assess the effects of low-frequency modes on climate extremes over North America. The behavior of climate extremes in RCM simulations for the 20th century will be compared with statistics calculated from the United States Historical Climatology Network (USHCN) and simulations from the North American Regional Climate Change Assessment Program (NARCCAP). This effort will serve to establish the baseline behavior of climate extremes, the validity of an innovative multi–resolution information theory approach, and the ability of the RCM modeling framework to represent the low-frequency modulation of extreme climate events. Once the skill of the modeling and analysis methodology has been established, we will apply the same approach for the AR5 (IPCC Fifth Assessment Report) climate change scenarios in order to assess how climate extremes and the the influence of lowfrequency variability on climate extremes might vary under changing climate. The research specifically addresses the DOE focus area 2. Simulation of climate extremes under a changing climate. Specific results will include (1) a better understanding of the spatial and temporal structure of extreme events, (2) a thorough quantification of how extreme values are impacted by low-frequency climate teleconnections, (3) increased knowledge of current regional climate models ability to ascertain these influences, and (4) a detailed examination of the how the distribution of extreme events are likely to change under different climate change scenarios. In addition, this research will assess the ability of the innovative wavelet information theory approach to characterize extreme events. Any and all of these results will greatly enhance society’s ability to understand and mitigate the regional ramifications of future global climate change.

54 ENVIRONMENTAL SCIENCES↗

Synthesis and Luminescence Characteristics of Cr 3+ doped Y 3 Al 5 O 12 Phosphors

Luminescence performance of yttrium aluminum garnet (Y 3 Al 5 O 12 ) phosphors as a function of Cr 3+ concentration has been investigated via two different wet-chemical synthesis techniques, direct- (DP) and hydrothermal-precipitation (HP). Using either of these methods, the red-emitting phosphor [Y 3 Al 5-x Cr x O 12 (YAG: Cr 3+ )] showed similar photoluminescence (PL) intensities once the dopant concentration was optimized. Specifically, the YAG: Cr 3+ PL emission intensity reached a maximum at Cr 3+ concentrations of x = 0.02 (0.4 at.%) and x = 0.13 (2.6 at.%) for DP and HP processed samples, respectively. The results indicated the strong influence of the processing method on the optimized YAG: Cr 3+ performance, where a more effective energy transfer rate between a pair of Cr 3+ activators at low concentration levels was observed by using the DP synthesis technique. Development of a highly efficient phosphor, using a facile synthesis approach, could significantly benefit consumer and industrial applications by improving the operational efficiency of a wide range of practical devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solving Graph Laplacian Systems Through Recursive Bisections and Two-Grid Preconditioning

We present a parallelizable direct method for computing the solution to graph Laplacian-based linear systems derived from graphs that can be hierarchically bipartitioned with small edge cuts. For a graph of size n with constant-size edge cuts, our method decomposes a graph Laplacian in time O(n log n), and then uses that decomposition to perform a linear solve in time O(n log n). We then use the developed technique to design a preconditioner for graph Laplacians that do not have this property. Finally, we augment this preconditioner with a two-grid method that accounts for much of the preconditioner's weaknesses. We present an analysis of this method, as well as a general theorem for the condition number of a general class of two-grid support graph-based preconditioners. Numerical experiments illustrate the performance of the studied methods.

97 MATHEMATICS AND COMPUTING↗

Summers_FinalReport_ER64408

Elemental mercury, Hg(0) is a contaminant at many DOE sites, especially at Oak Ridge National Laboratory (ORNL) where the spread of spilled Hg and its effects on microbial populations have been monitored for decades. To explore the microbial interactions with Hg, we devised a global proteomic approach capable of directly detecting Hg-adducts of proteins. This technique developed in the facultative anaerobe, Escherichia coli, allows us to identify the proteins most vulnerable to acute exposure to organomercurials phenyl- and ethyl-mercury (as surrogates for the highly neurotoxic methyl-Hg) (Polacco, et al, 2011). We have found >300 such proteins in all metabolic functional groups and cellular compartments; most are highly conserved and can serve as markers for acute Hg exposure (Zink, et al. 2016, in preparation).

59 BASIC BIOLOGICAL SCIENCES↗

Multiscale Capability in Rattlesnake using Contiguous Discontinuous Discretization of Self-Adjoint Angular Flux Equation

In this report, we present a new upwinding scheme for the multiscale capability in Rattlesnake, the MOOSE based radiation transport application. Comparing with the initial implementation of multiscale utilizing Lagrange multipliers to impose strong continuity of angular flux on interface of in-between subdomains, this scheme does not require the particular domain partitioning. This upwinding scheme introduces discontinuity of angular flux and resembles the classic upwinding technique developed for solving first order transport equation using discontinuous finite element method (DFEM) on the subdomain interfaces. Because this scheme restores the causality of radiation streaming on the interfaces, significant accuracy improvement can be observed with moderate increase of the degrees of freedom comparing with the continuous method over the entire solution domain. Hybrid SN-PN is implemented and tested with this upwinding scheme. Numerical results show that the angular smoothing required by Lagrange multiplier method is not necessary for the upwinding scheme.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Manufacturing and Characterization of Ultra Pure Ferrous Alloys Final Report CRADA No. TC02069.0

This CRADA was a.collaborative effort between the Lawrence Livermore National Security LLC (formerly University of California)/Lawrence Livermore National Laboratory (LLNL),and Caterpillar Inc. (CaterpiHar), to further advance levitation casting techniques (developed at the Central Research Institute for Material (CRIM) in St. Petersburg, Russia) for use in manufacturing high purity metal alloys. This DOE Global Initiatives for Proliferation Prevention Program (IPP) project was to develop and demonstrate the levitation casting technology for producing ultra-pure alloys.

36 MATERIALS SCIENCE↗

Characterization of bandwidth requirements of algorithms for extreme scale science

Technology trends have resulted in widely different rates of improvement in computational throughput as compared to data movement rates in computer systems. With future systems, the cost of data movement through the memory hierarchy is expected to become even more dominant relative to the cost of performing arithmetic operations, both in terms of time and energy. Therefore, optimizing data access costs will become ever more critical in the coming years. However, unlike the well understood model of computational complexity in terms of the number of elementary operations to execute an algorithm, the inherent data-movement complexity of computations is unknown for most algorithms. Given the crucial importance of optimizing data access costs in scalable parallel systems, it is of great interest to develop techniques for understanding the inherent data movement complexity of an algorithm. In this project, we focus on this fundamental and significant problem.

97 MATHEMATICS AND COMPUTING↗

Hyperspectral Geobotanical Remote Sensing for Monitoring and Verifying CO 2 Containment Final Report CRADA No. TC-2036-02

This collaborative effort was in support of the CO 2 Capture Project (CCP), to develop techniques that integrate overhead images of plant species, plant health, geological formations, soil types, aquatic, and human use spatial patterns for detection and discrimination of any CO 2 releases from underground storage formations. The goal of this work was to demonstrate advanced hyperspectral geobotanical remote sensing methods to assess potential leakage of CO 2 from underground storage. The timeframes and scales relevant to the long-term storage of CO 2 in the subsurface make remote sensing methods attractive. Moreover, it has been shown that individual field measurements of gas composition are subject to variability on extremely small temporal and spatial scales. The ability to verify ultimate reservoir integrity and to place individual surface measurements into context will be crucial to successful long-term monitoring and verification activities. The desired results were to produce a defined and tested procedure that could be easily used for long-term monitoring of possible CO 2 leakage from underground CO 2 sequestration sites. This testing standard will be utilized on behalf of the oil industry.

42 ENGINEERING↗

Precision Gamma-Ray Branching Ratios for Long-Lived Radioactive Nuclei

Many properties of the high-energy-density environments in nuclear weapons tests, advanced laser-fusion experiments, the interior of stars, and other astrophysical bodies must be inferred from the resulting long-lived radioactive nuclei that are produced. These radioactive nuclei are most easily and sensitively identified by studying the characteristic gamma rays emitted during decay. Measuring a number of decays via detection of the characteristic gamma-rays emitted during the gamma-decay (the gamma-ray branching ratio) of the long-lived fission products is one of the most straightforward and reliable ways to determine the number of fissions that occurred in a nuclear weapon test. The fission products 147 Nd, 144 Ce, 156 Eu, and certain other long-lived isotopes play a crucial role in science-based stockpile stewardship, however, the large uncertainties (about 8%) on the branching ratios measured for these isotopes are currently limiting the usefulness of the existing data [1,2]. We performed highly accurate gamma-ray branching-ratio measurements for a group of high-atomic-number rare earth isotopes to greatly improve the precision and reliability with which the fission yield and reaction products in high-energy-density environments can be determined. We have developed techniques that take advantage of new radioactive-beam facilities, such as DOE's CARIBU located at Argonne National Laboratory, to produce radioactive samples and perform decay spectroscopy measurements. The absolute gamma-ray branching ratios for 147 Nd and 144 Ce are reduced <2% precision. In addition, high-energy monoenergetic neutron beams from the FN Tandem accelerator in TUNL at Duke University was used to produce 167 Tm using the 169 Tm(n,3n) reaction. Fourtime improved branching ratio of 167 Tm is used now to measure reaction-in-flight (RIF) neutrons from a burning DT capsule at NIF [10]. This represents the first measurement of RIF neutrons in any laboratory fusion system, and the magnitude of the signal has important implications for fundamental plasma science and for weapons physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Pressure Induced Phase Transformations in Ceramics

The study of materials with unusual properties offers new insight into structure-property relations as well as promise for the design of novel composites. In this spirit, the PIs seek to (1) understand fundamental mechanical phenomena in ceramics that exhibit pressure-induced phase transitions, negative coefficient of thermal expansion (CTE), and negative compressibility, and (2) explore the effect of these phenomena on the mechanical behavior of composites designed with such ceramics. The broad and long-term goal is to learn how to utilize these unusual behaviors to obtain desired mechanical responses. While the results are expected to be widely applicable to many ceramics, most of the present focus is on silicates, as they exhibit remarkable diversity in structure and properties. Eucryptite, a lithium aluminum silicate (LiAlSiO 4 ), is specifically targeted because it exhibits a pressure-induced phase transition at a sufficiently low pressure to be accessible during conventional materials processing. Thus, composites with eucryptite may be designed to exhibit a novel type of transformation toughening. The PIs have performed a combination of activities that encompass synthesis and processing to control structures, atomistic modeling to predict and understand structures, and characterization to study mechanical behavior. Several materials behavior discoveries were made. It was discovered that small amounts of Zn (as small as 0.1 percent by mol) reverse the sign of the coefficient of thermal expansion of beta-eucryptite from negative to slightly positive. The presence of Zn also significantly mitigates microcracking that occurs during thermal cycling of eucryptite. It is hypothesized that Zn disrupts the Li ordering in beta-eucryptite, thereby altering the thermal expansion behavior. A nanoindentation technique developed to characterize incipient plasticity was applied to examine the initial stages of the pressure induced phase transformation from beta to epsilon-eucryptite and show that the transformation nucleation is related to the motion of the tetrahedral units making up the structure. It was revealed that the conduction of Li ions through the structure is also dictated by the tetrahedral unit arrangement and how their positions change with temperature. The critical pressure to obtain the high pressure phase of eucryptite was shown to depend on the grain size. The structure of the high pressure phase was determined with a combination of atomistic modeling and in situ x-ray diffraction experiments.

36 MATERIALS SCIENCE↗

Characterization of an Electron Gun for Hollow Electron Beam Collimation

Hollow electron beam collimation (HEBC) is a new technique developed to complement conventional beam collimation system to remove beam halo in a controlled fashion. We study the characteristics of the electron gun that produces the hollow electron beam. Cathode yield and beam profile measurements are used to extract information on gun performance. Results of characteristic measurements are presented.

43 PARTICLE ACCELERATORS↗