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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 1,369 records · Page 76

VERY LOW MASS STELLAR AND SUBSTELLAR COMPANIONS TO SOLAR-LIKE STARS FROM MARVELS. V. A LOW ECCENTRICITY BROWN DWARF FROM THE DRIEST PART OF THE DESERT, MARVELS-6b

We describe the discovery of a likely brown dwarf (BD) companion with a minimum mass of 31.7 {+-} 2.0 M{sub Jup} to GSC 03546-01452 from the MARVELS radial velocity survey, which we designate as MARVELS-6b. For reasonable priors, our analysis gives a probability of 72% that MARVELS-6b has a mass below the hydrogen-burning limit of 0.072 M{sub Sun }, and thus it is a high-confidence BD companion. It has a moderately long orbital period of 47.8929{sup +0.0063}{sub -0.0062} days with a low eccentricity of 0.1442{sup +0.0078}{sub -0.0073}, and a semi-amplitude of 1644{sup +12}{sub -13} m s{sup -1}. Moderate resolution spectroscopy of the host star has determined the following parameters: T{sub eff} = 5598 {+-} 63, log g = 4.44 {+-} 0.17, and [Fe/H] = +0.40 {+-} 0.09. Based upon these measurements, GSC 03546-01452 has a probable mass and radius of M{sub *} = 1.11 {+-} 0.11 M{sub Sun} and R{sub *} = 1.06 {+-} 0.23 R{sub Sun} with an age consistent with less than {approx}6 Gyr at a distance of 219 {+-} 21 pc from the Sun. Although MARVELS-6b is not observed to transit, we cannot definitively rule out a transiting configuration based on our observations. There is a visual companion detected with Lucky Imaging at 7.''7 from the host star, but our analysis shows that it is not bound to this system. The minimum mass of MARVELS-6b exists at the minimum of the mass functions for both stars and planets, making this a rare object even compared to other BDs. It also exists in an underdense region in both period/eccentricity and metallicity/eccentricity space.

79 ASTRONOMY AND ASTROPHYSICS↗

Adaptive optics images. III. 87 Kepler objects of interest

The Kepler mission has revolutionized our understanding of exoplanets, but some of the planet candidates identified by Kepler may actually be astrophysical false positives or planets whose transit depths are diluted by the presence of another star. Adaptive optics images made with ARIES at the MMT of 87 Kepler Objects of Interest place limits on the presence of fainter stars in or near the Kepler aperture. We detected visual companions within 1'' for 5 stars, between 1'' and 2'' for 7 stars, and between 2'' and 4'' for 15 stars. For those systems, we estimate the brightness of companion stars in the Kepler bandpass and provide approximate corrections to the radii of associated planet candidates due to the extra light in the aperture. For all stars observed, we report detection limits on the presence of nearby stars. ARIES is typically sensitive to stars approximately 5.3 Ks magnitudes fainter than the target star within 1'' and approximately 5.7 Ks magnitudes fainter within 2'', but can detect stars as faint as ΔKs = 7.5 under ideal conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

Operando Freezing Cryogenic Electron Microscopy of Active Battery Materials

Abstract Understanding structural and chemical evolution of battery materials during operation is critical to achieving safe, efficient, and long-lasting energy storage. Cryogenic electron microscopy (cryo-EM) has become a valuable tool in battery characterization, leveraging low temperatures to improve stability of sensitive materials under electron beam irradiation. However, typical cryo-EM sample preparations leave extended time between the electrochemical point of interest and ex situ freezing of samples, during which active structures may relax, degrade, or otherwise evolve. Here, we detail a method for operando freezing cryo-EM to preserve and characterize native electrode and interfacial structures that arise during battery cycling, based on an operando plunge freezer and cold sample removal process. We validate the method on multiple electrode materials and quantify and discuss the freezing rate achieved. Operando freezing cryo-EM can be used to directly visualize transient features that arise at active electrochemical interfaces, to enable deeper understanding of structural evolution and interfacial chemistry in batteries and other electrochemical systems.

25 ENERGY STORAGE↗

Cryo-$\mathrm{EM}$ reveals an entangled kinetic trap in the folding of a catalytic $\mathrm{RNA}$

Functional RNAs fold through complex pathways that can contain misfolded “kinetic traps.” A complete model of RNA folding requires understanding the formation of these misfolded states, but they are difficult to characterize because of their transient and potentially conformationally dynamic nature. We used cryo–electron microscopy (cryo-EM) to visualize a long-lived misfolded state in the folding pathway of the Tetrahymena thermophilagroup I intron, a paradigmatic RNA structure-function model system. The structure revealed how this state forms native-like secondary structure and tertiary contacts but contains two incorrectly crossed strands, consistent with a previous model. This incorrect topology mispositions a critical catalytic domain and cannot be resolved locally as extensive refolding is required. This work provides a structural framework for interpreting decades of biochemical and functional studies and demonstrates the power of cryo-EM for the exploration of RNA folding pathways.

59 BASIC BIOLOGICAL SCIENCES↗

Visualizing energy transfer between redox-active colloids

Redox-active colloids (RACs) represent a novel class of energy carriers that exchange electrical energy upon contact. Understanding contact-mediated electron transfer dynamics in RACs offers insights into physical contact events in colloidal suspensions and enables quantification of electrical energy transport in nonconjugated polymers. Redox-based electron transport was directly observed in monolayers of micron-sized RACs containing ethyl-viologen side groups via fluorescence microscopy through an unexpected nonlinear electrofluorochromism that is quantitatively coupled to the redox state of the colloid. Via imaging studies, using this electrofluorochromism, the apparent charge transfer diffusion coefficient D CT of the RAC was easily determined. The visualization of energy transport within suspensions of redox-active colloids was also demonstrated. Our work elucidates fundamental mechanisms of energy transport in colloidal systems, informs the development of next-generation redox flow batteries, and may inspire new designs of smart active soft matter including conductive polymers for applications ranging from electrochemical sensors and organic electronics to colloidal robotics.

Qu, Alan Subing [Univ. of Illinois at Urbana-Champ↗

Visualization of Multi-Fidelity Approximations of Stochastic Economic Dispatch

As renewable energy generation deployment increases, the operation of electrical grids becomes more complex. Economic dispatch is part of a grid operator's regular decision process where the amount of energy to generate is determined based on the number of available generators and the actual level of energy demand. Renewable generators are inherently stochastic due to the chaotic nature of weather patterns, and thus, real-time decisions of economic dispatch become increasingly complex. Modeling efforts to assist in these decisions in the highest fidelity typically take hours to days to solve on leadership-class computers; too long for the 5-minute operational time-frame demanded of operators. Alternatively, multi-fidelity approximations can be used to predict generation levels quickly and with sufficient accuracy to be used for real-time operations. We have developed a visualization tool to demonstrate the utility of multi-fidelity approximations by displaying contextual results of economic dispatch approximations, comparisons across fidelity levels of generation levels and possible failures to meet demand, and meta-data on the modeling setup.

interactive visualization↗

dsgrid (Demand-Side Grid Toolkit) [SWR-21-52]

The demand-side grid model harnesses decades of sector-specific energy modeling expertise to understand current and future U.S. electricity load for power systems analyses. The API provides tools for submitting datasets to dsgrid projects, validating individual datasets and project data as a whole, querying, analysis, and visualization.

Hale, Elaine↗

Advanced Fossil Energy Separations and Analysis Research – Thermal Desorption Using Spouted Beds

Mercury and other contaminants in emissions from coal-fired power plants are of interest due to the cost associated with capture and disposal of toxic mercury species. It had recently been postulated in the fossil energy community that spouted beds may be a viable coal pre-treatment technique for thermal desorption of mercury. Spouted beds have the potential to be a near-ideal solid-gas contactor for desorption of mercury species, especially with a few proposed design changes specific for this application. Introduction of draft tubes for spouted beds has addressed some issues with scale-up to better handle the throughput and particle size found in coal-fired power plants. In Phase I, Mainstream Engineering invented and developed a Venturi draft tube spouted bed (VDTSB) to enable process scale-up with fine coal particles and to improve heat and mass transfer. The VDTSB concept increases suction at the bottom of the bed to better entrain material (and reduce the propensity for bridging) at the bottom of the conical vessel. The main advantages of this patent-pending approach are the ability to accept a wide range of coal particle sizes, good heat/mass transfer, process scalability, and robustness. The desorber design was optimized through bed flow visualization experiments; these experiments demonstrated the increased throughput and ease of process scale-up. A high-temperature pilot-scale VDTSB desorber system was designed, fabricated, commissioned, and tested. The heat and mass transfer rates with the VDTSB were measured and compared to a baseline spouted bed with and without a conventional straight draft tube. Pilot-scale VDTSB system performance tests were completed with the Energy and Environmental Research Center (EERC) to measure the rate of mercury desorption over a range of pulverized coal particle sizes, bed temperatures, and reactor geometry. Based on performance results, an initial technoeconomic analysis (TEA) was completed to estimate the cost reduction for emissions treatment compared to current flue-gas mercury capture systems. The following was accomplished in Phase I: Developed scalable design correlations for high-throughput spouted bed systems; Determined cycle time distribution (CTD) and turnover time for straight and Venturi draft tube spouted beds, and showed the VDTSB had lower cycle time (faster turnover) than the straight draft tube (SDT); Reduced weighted-average turnover time by 14% to 43% with Venturi draft tube; narrowed the CTD by up to 75%; Measured heat and mass transfer within the pilot-scale VDTSB desorber and showed that the highest heat transfer rate was 2.98 kW/m 2 ·s with 400 µm particles at a 10 L/min motive gas flowrate; Measured mercury (Hg) desorption rate for lignite, bituminous, and subbituminous coal at 200 °C, 225 °C, 250 °C and 275 °C; Achieved 5.6×10 -10 kg/m 2 -h, 2.6×10 -10 kg/m 2 -h, and 6.5×10 -11 kg/m 2 -h Hg removal rates for lignite, bituminous, and sub-bituminous coals, respectively with no loss in volatile matter and an increase in heating value due to a reduction in moisture content; The unoptimized VDTSB pilot desorber decreased the total mercury concentration of lignite and bituminous coal tests by 61% (dry basis). The subbituminous Powder River Basin (PRB) coal showed a reduction of 18%; Based on our TEA of coal-fired power plants, implementing the VDTSB for coal pretreatment could reduce the mercury capture capital and operating expenses by 36% and 38%, respectively, which exceeded the target goal of 25% reduction; A patent application was prepared, and the results were presented at the 2017 AIChE Annual Meeting (Minneapolis, MN).

20 FOSSIL-FUELED POWER PLANTS↗

Online Analytics for Remedy Support at DOE Environmental Management Sites

Environmental data is important for managing environmental restoration/waste site remediation, planning of monitoring efforts, addressing climate resilience, and engaging with stakeholders and regulators. A major challenge is how to manage the many different types and the large volume of environmental data in a way that allows practitioners and site managers to understand data implications and support decisions. The Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites (SOCRATES, https://www.pnnl.gov/projects/socrates) is a web application that provides data access, visualization, and rapid analytics to help make sense of environmental data, support remedy decisions, and communicate information. Development of SOCRATES has been funded through the DOE Richland Operations Office (RL) to support communication and decision making for the Hanford Site, thus is only tied into Hanford environmental data. However, the capabilities of SOCRATES are more broadly applicable to DOE-EM sites engaged in environmental remediation and management. This report describes the work to develop mechanisms for bringing non-Hanford data into SOCRATES so that other DOE-EM sites could make use of the visualization and analysis capabilities to support communication and decision making related to managing environmental restoration/waste site remediation, optimization/exit strategies for pump-and-treat systems, planning monitoring efforts, addressing climate resilience, and/or engaging with stakeholders and regulators. The background, approach, data transfer formats, examples, and next steps for this new SOCRATES-EM software are described in this report.

54 ENVIRONMENTAL SCIENCES↗

Standard operating procedure for post-operation component disassembly and observation of benchtop water electrolyzer testing

Post-operation component disassembly and observation of electrolyzer parts is useful in understanding the interactions of the components and the electrochemical environment beyond the systems electrochemical output. We report a standard protocol for post-operation component disassembly and observation, including directions for cell-component preservation, preliminary visual inspection of cell components, and a guide for the advanced inspection of specific components with suggestions for further analysis if necessary. The procedures outlined here allow for a standardized method that can be used and compared between different laboratories and for literature comparison to experimental results.

03 NATURAL GAS↗

OpenACC Profiling Support for Clang and LLVM using Clacc and TAU

Since its launch in 2010, OpenACC has evolved into one of the most widely used portable programming models for accelerators on HPC systems today. Clacc is a project funded by the US Exascale Computing Project (ECP) to bring OpenACC support for C and C++ to the popular Clang and LLVM compiler infrastructure. In this paper, we describe Clacc's support for the OpenACC Profiling Interface, a critical component of the OpenACC specification that standardizes an interface that profiling tools and libraries can depend upon across OpenACC implementations. As part of Clacc's general strategy to build OpenACC support upon OpenMP, we describe how Clacc builds OpenACC Profiling Interface support upon an extended version of OMPT. We then describe how a major profiling and tracing toolkit within ECP, the TAU Performance System, takes advantage of this support. We also describe TAU's selective instrumentation support for OpenACC. Finally, using Clacc and TAU, we present example visualizations for several SPEC ACCEL OpenACC benchmarks running on an IBM AC922 node, and we show that the associated performance overhead is negligible.

Coti, Camille↗

Mapping SIEM Vulnerabilities in STIG

SIEM (Security Information and Event Management) tools monitor network traffic and allow users to quickly detect problems in their networks. Because of the valuable information processed by SIEM tools, it is important to understand their vulnerabilities. STIG (Structured Threat Intelligence Graph) is an application created at INL used to visualize data related to cyber threats. Using STIG can allow users to understand vulnerabilities related to their SIEM products and how to protect their systems.

99 GENERAL AND MISCELLANEOUS↗

Coupling SCALE with DAKOTA for Axial Burnup Profiles Assessment in Burnup Credit

This paper presents a computational study that demonstrates the application of the SCALE code system in conjunction with the Design Analysis Kit for Optimization and Terascale Applications (DAKOTA) for the analysis of key factors influencing the evaluation of burnup credit (BUC) in pressurized water reactors (PWRs). The primary objective of this analysis is to characterize the model by utilizing parameterization, uncertainty quantification, and optimization studies. Using this approach, we can comprehensively assess the system and conduct informed predictive studies. This study highlights the effectiveness of the SCALE code system integrated within the DAKOTA framework in terms of efficiency and capability. With the coupling of the burnup code ORIGAMI with the CSAS or TSUNAMI-3D sequence embedded in a DAKOTA analysis, we can characterize the factors that influence the k eff of PWR 17x17 spent nuclear fuel (SNF) in the GBC-32 computational benchmark cask for the assessment of BUC in criticality safety analysis. The coupling methodology used in this study is not exclusive to BUC analysis. However, the choice to apply this methodology to the BUC problem is particularly significant because of the diverse range of aspects it encompasses in nuclear criticality safety analyses. This problem presents a unique opportunity to explore and address multiple facets of such analyses related to BUC and illustrates the capability of the SCALE code system with DAKOTA. This analysis makes use of historical reference data for the axial burnup profile, where the entire space within the bounds is considered. Both SCALE and DAKOTA are currently integrated in the Nuclear Energy Advanced Modeling Simulation (NEAMS) Workbench code system, which has a user-friendly graphical interface that simplifies the setup of simulations and configuration of input parameters as well as the visualization of simulation results.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Modernizing GlideinWMS Factory Monitoring with Prometheus & Grafana

Large-scale scientific experiments like CMS and DUNE rely on the distributed workload management system GlideinWMS to efficiently utilize computing resources across heterogeneous computing environments. GlideinWMS currently records Factory statistics using Round Robin Databases (RRDBs), XML, and JSON files, and these statistics are displayed via custom monitoring Web pages, thereby limiting integration with modern observability platforms. This project investigates the use of Prometheus-based instrumentation to expose Factory metrics using OpenTelemetry principles. Factory statistics related to Glidein submission and job execution are exported as Prometheus metrics through the Prometheus Python Client Library and are served via an HTTP metrics endpoint. The collected metrics are inspected using the Prometheus web-based interface and are visualized through Grafana dashboards within the Landscape monitoring infrastructure at Fermilab. This project significantly streamlines the integration of modern monitoring technologies into GlideinWMS and establishes a framework for extending observability across additional system components.

Appiah, Gideon [Grambling State U.]↗

Visualizing in Vivo Dynamics of Designer Nanoscaffolds

Enzymes of natural biochemical pathways are routinely subcellularly organized in space and time in order to improve pathway efficacy and control. Designer scaffolding platforms are under development to confer similar benefits upon engineered pathways. Herein, we assess bacterial microcompartment shell (pfam0936-domain) proteins as modules for constructing well-defined nanometer scale scaffolds in vivo. We use a suite of visualization techniques to evaluate scaffold assembly and dynamics. We demonstrate recruitment of target cargo molecules onto assembled scaffolds by appending reciprocally interacting adaptor domains. These interactions can be refined by fine-tuning the scaffold expression level. Real-time observation of this system reveals a nucleation-limited step where multiple scaffolds initially form within a cell. Over time, nucleated scaffolds reorganize into a single intracellular assembly, likely due to interscaffold competition for protein subunits. Our findings suggest design considerations for using self-assembling proteins as building blocks to construct nanoscaffolds, while also providing a platform to visualize scaffold-cargo dynamics in vivo.

59 BASIC BIOLOGICAL SCIENCES↗

Visualization at exascale: Making it all work with VTK-m

The VTK-m software library enables scientific visualization on exascale-class supercomputers. Exascale machines are particularly challenging for software development in part because they use GPU accelerators to provide the vast majority of their computational throughput. Algorithmic designs for GPUs and GPU-centric computing often deviate from those that worked well on previous generations of high-performance computers that relied on traditional CPUs. Fortunately, VTK-m provides scientific visualization algorithms for GPUs and other accelerators. VTK-m also provides a framework that simplifies the implementation of new algorithms and adds a porting layer to work across multiple processor types. This paper describes the main challenges encountered when making scientific visualization available at exascale. Here, we document the surprises and obstacles faced when moving from pre-exascale platforms to the final exascale designs and the performance on those systems including scaling studies on Frontier, an exascale machine with over 37,000 AMD GPUs. We also report on the integration of VTK-m with other exascale software technologies. Finally, we show how VTK-m helps scientific discovery for applications such as fusion and particle acceleration that leverage an exascale supercomputer.

97 MATHEMATICS AND COMPUTING↗

Computer-Assisted Diagnosis System for Breast Cancer in Computed Tomography Laser Mammography (CTLM)

Computed tomography laser mammography (Eid et al. Egyp J Radiol Nucl Med, 37(1): p. 633–643, 1) is a non-invasive imaging modality for breast cancer diagnosis, which is time-consuming and challenging for the radiologist to interpret the images. Some issues have increased the missed diagnosis of radiologists in visual manner assessment in CTLM images, such as technical reasons which are related to imaging quality and human error due to the structural complexity in appearance. The purpose of this study is to develop a computer-aided diagnosis framework to enhance the performance of radiologist in the interpretation of CTLM images. The proposed CAD system contains three main stages including segmentation of volume of interest (VOI), feature extraction and classification. A 3D Fuzzy segmentation technique has been implemented to extract the VOI. The shape and texture of angiogenesis in CTLM images are significant characteristics to differentiate malignancy or benign lesions. The 3D compactness features and 3D Grey Level Co-occurrence matrix (GLCM) have been extracted from VOIs. Multilayer perceptron neural network (MLPNN) pattern recognition has developed for classification of the normal and abnormal lesion in CTLM images. The performance of the proposed CAD system has been measured with different metrics including accuracy, sensitivity, and specificity and area under receiver operative characteristics (AROC), which are 95.2, 92.4, 98.1, and 0.98%, respectively.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Electricity Capacity Expansion Modeling, Analysis, and Visualization: A Summary of High-Renewable Modeling Experiences (Chinese Translation)

This is the Chinese translation of NREL/TP-6A20-64831. Mathematical and computational models are widely used for the analysis and design of both physical and financial systems. Modeling the electric grid is of particular importance to China for three reasons. First, power-sector assets are expensive and long-lived, and they are critical to any country's development. China's electric load, transmission, and other energy-related infrastructure are expected to continue to grow rapidly; therefore it is crucial to understand and help plan for the future in which those assets will operate. Second, China has dramatically increased its deployment of renewable energy (RE), and is likely to continue further accelerating such deployment over the coming decades. Careful planning and assessment of the various aspects (technical, economic, social, and political) of integrating a large amount of renewables on the grid is required. Third, companies need the tools to develop a strategy for their own involvement in the power market China is now developing, and to enable a possible transition to an efficient and high RE future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗