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At least 667 records · Page 37

Finding a Needle in the Haystack: Identification of Functionally Important Minority Phases in an Operating Battery

The in-depth understanding of the minority phases’ roles in functional materials, e.g., batteries, is critical for optimizing the system performance and the operational efficiency. Although the visualization of battery electrode under operating conditions has been demonstrated, the development of advanced data-mining approaches is still needed in order to identify minority phases and to understand their functionalities. The present study uses nanoscale X-ray spectromicroscopy to study a functional LiCoO 2 /Li battery pouch cell. The data-mining approaches developed herein were used to search through over 10 million X-ray absorption spectra that cover more than 100 active cathode particles. Two particles with unanticipated chemical fingerprints were identified and further analyzed, providing direct evidence and valuable insight into the undesired side reactions involving the cation dissolution and precipitation as well as the local overlithiation-caused subparticle domain deactivation. As a result, the data-mining approach described in this work is widely applicable to many other structurally complex and chemically heterogeneous systems, in which the secondary/minority phases could critically affect the overall performance of the system, well beyond battery research.

25 ENERGY STORAGE↗

PARETO 0.5.0 Release

PARETO 0.5.0 Release. Highlights: Treatment Center Modeling - New case study with desalination, clean brine, and evaporation treatment technologies - New option to reduce disposal capacity due to Seismic Response Areas (SRA) - New option to consider water sharing outside of system General Updates - New features for Sankey Diagram visualization (multiple regions, filtered time periods) - Introduce badges to README.md - Convert documentation to ASCII LaTeX - Code cleaning and maintenance - Correct strategic model documentation typo - Update and format treatment demo input spreadsheet Bug Fixes - Fix water quality operational model results printing bug - Piping and trucking variables are now built only over defined arcs instead of all possible connections - Revise pipeline expansion cost constraints, ensure that all pipelines built incur cost

PARETO,PARETO-UI,PSE,Process Systems Engineering,P↗

Influence of Domain Width on Vortex Nucleation in Superconductor/Ferromagnet Hybrid Structures.

We have investigated the effect of spatially inhomogenous magnetic fields on vortex nucleation in magnetically coupled superconductor/ferromagnet hybrid structures. Using low-temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) we have studied Pb/[Co-Pd] systems with slightly inhomogeneous magnetic domain width throughout the sample. Visualization of the underlying magnetic template structure is achieved through field dependent conductance maps. In the case of zero applied fields, these maps reveal the absence of vortices below a threshold domain width. At those locations with insufficient domain width to support generation of vortices in zero applied fields, nucleation can be restored through the application of an external magnetic field, with vortices nucleating above the domain parallel to the external field. For the magnetic domain width studied in this work, local tunneling spectroscopy reveals uniform superconducting critical temperature as a function of location, despite of local differences in the stray field experienced by the superconductor.

Low Temperature Superconductors↗

Probing charge density in materials with atomic resolution in real space

The charge distribution in materials at the nanoscale can often explain the origin of macroscopic properties such as localized conductivity or the plasmonic response and illuminate more fundamental changes in the microscopic structure such as changes in chemical bonding characteristics. Previously, direct visualization of the charge density with high spatial resolution was often a missing link in the formation of structure–property relationships, especially in heterogeneous materials systems. Furthermore, recent advancements in microscopy technology have enabled researchers to visualize the charge distribution in materials down to subatomic length scales. In this Technical Review, we discuss the developments in high-resolution real-space charge distribution imaging using diffraction techniques and electron microscopy, with a focus on the recent advancement of four-dimensional scanning transmission electron microscopy, electron holography, and applications to materials interfaces.

Electronic properties and materials↗

VTK-m: Accelerating the Visualization Toolkit for Massively Threaded Architectures

Execution on massively threaded processors is one of the most critical challenges for high-performance computing (HPC) scientific visualization. Of the many fundamental changes we are seeing in HPC systems, one of the most profound is a reliance on new processor types optimized for execution bandwidth over latency hiding. Moreover, our current production scientific visualization software is not designed for these new types of architectures. In order to address this issue, the VTK-m framework serves as a container for algorithms, provides flexible data representation, and simplifies the design of visualization algorithms on new and future computer architecture.

97 MATHEMATICS AND COMPUTING↗

VTK-m User's Guide (V.1.6)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures.

97 MATHEMATICS AND COMPUTING↗

VTK-m User's' Guide (V.1.7)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.This book includes contributions from the VTK-m community including the VTK-m development team and the user community.

97 MATHEMATICS AND COMPUTING↗

The VTK-m Users' Guide (V.1.9)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

The VTK-m Users' Guide (V.2.0)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

The VTK-m User's Guide (V. 2.2)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗

Stability of the Kepler-11 system and its origin

A significant fraction of Kepler systems are closely packed, largely coplanar, and circular. We study the stability of a six-planet system, Kepler-11, to gain insights on the dynamics and formation history of such systems. Using a technique called 'frequency maps' as fast indicators of long-term stability, we explore the stability of the Kepler-11 system by analyzing the neighborhood space around its orbital parameters. Frequency maps provide a visual representation of chaos and stability, and their dependence on orbital parameters. We find that the current system is stable, but lies within a few percent of several dynamically dangerous two-body mean-motion resonances. Planet eccentricities are restricted below a small value, ∼0.04, for long-term stability, but planet masses can be more than twice their reported values (thus allowing for the possibility of mass loss by past photoevaporation). Based on our frequency maps, we speculate on the origin of instability in closely packed systems. We then proceed to investigate how the system could have been assembled. The stability constraints on Kepler-11 (mainly eccentricity constraints) suggest that if the system were assembled in situ, a dissipation mechanism must have been at work to neutralize the eccentricity excitation. On the other hand, if migration was responsible for assembling the planets, there has to be little differential migration among the planets to avoid them either getting trapped into mean motion resonances, or crashing into each other.

79 ASTRONOMY AND ASTROPHYSICS↗

High-speed atomic force microscope based on an astigmatic detection system

High-speed atomic force microscopy (HS-AFM) enables visualizing dynamic behaviors of biological molecules under physiological conditions at a temporal resolution of 1s or shorter. A small cantilever with a high resonance frequency is crucial in increasing the scan speed. However, detecting mechanical resonances of small cantilevers is technically challenging. In this study, we constructed an atomic force microscope using a digital versatile disc (DVD) pickup head to detect cantilever deflections. In addition, a flexure-guided scanner and a sinusoidal scan method were implemented. In this work, we imaged a grating sample in air by using a regular cantilever and a small cantilever with a resonance frequency of 5.5 MHz. Poor tracking was seen at the scan rate of 50 line/s when a cantilever for regular AFM imaging was used. Using a small cantilever at the scan rate of 100 line/s revealed no significant degradation in the topographic images. The results indicate that a smaller cantilever can achieve a higher scan rate and superior force sensitivity. This work shows the potential for using a DVD pickup head in future HS-AFM technology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Augmented Reality Tools for Nuclear Facilities - 18318

In this work we explore the possibility of improving nuclear facility operations through the use of emerging augmented reality technology. Specifically we focus on the use of augmented reality headsets. Augmented reality opens up the possibility for easy, on-the-fly access to documentation related to canisters, rooms, and carts. It also can be used to help plan complicated material moves in ways that do not violate nuclear criticality safety regulations. Modern augmented reality technology can also be interacted with using gaze, gesture and voice commands, thus making it particularly attractive for facilitating the documentation of nuclear material operations and work verification. An augmented reality-based nuclear facility criticality safety system would have a number of benefits for operations in nuclear facilities. This work could be used across the DOE complex to ensure technicians in gloveboxes work safely and securely. It could greatly reduce downtime associated with administrative criticality incidents. It would be a step forward in the process of improving the quality of documentation of the work that occurs in nuclear facilities while simultaneously increasing the ease with which this documentation can be collected. The augmented reality effectively endows the glovebox technicians with a sense for administrative nuclear criticality safety and the reactivity changes caused directly by their actions. Augmented reality also has great potential for facilitating inspections of nuclear infrastructure. Examples of Augmented Reality applications that facilitate infrastructure inspection and work verification will also be presented. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction

Understanding dynamics in complex systems is challenging because there are many degrees of freedom, and those that are most important for describing events of interest are often not obvious. The leading eigenfunctions of the transition operator are useful for visualization, and they can provide an efficient basis for computing statistics, such as the likelihood and average time of events (predictions). Here, we develop inexact iterative linear algebra methods for computing these eigenfunctions (spectral estimation) and making predictions from a dataset of short trajectories sampled at finite intervals. We demonstrate the methods on a low-dimensional model that facilitates visualization and a high-dimensional model of a biomolecular system. Implications for the prediction problem in reinforcement learning are discussed.

Chemistry↗

How does C-VIEW image quality compare with conventional 2D FFDM?

Purpose: The FDA approved the use of digital breast tomosynthesis (DBT) in 2011 as an adjunct to 2D full field digital mammography (FFDM) with the constraint that all DBT acquisitions must be paired with a 2D image to assure adequate interpretative information is provided. Recently manufacturers have developed methods to provide a synthesized 2D image generated from the DBT data with the hope of sparing patients the radiation exposure from the FFDM acquisition. While this much needed alternative effectively reduces the total radiation burden, differences in image quality must also be considered. The goal of this study was to compare the intrinsic image quality of synthesized 2D C-VIEW and 2D FFDM images in terms of resolution, contrast, and noise. Methods: Two phantoms were utilized in this study: the American College of Radiology mammography accreditation phantom (ACR phantom) and a novel 3D printed anthropomorphic breast phantom. Both phantoms were imaged using a Hologic Selenia Dimensions 3D system. Analysis of the ACR phantom includes both visual inspection and objective automated analysis using in-house software. Analysis of the 3D anthropomorphic phantom includes visual assessment of resolution and Fourier analysis of the noise. Results: Using ACR-defined scoring criteria for the ACR phantom, the FFDM images scored statistically higher than C-VIEW according to both the average observer and automated scores. In addition, between 50% and 70% of C-VIEW images failed to meet the nominal minimum ACR accreditation requirements—primarily due to fiber breaks. Software analysis demonstrated that C-VIEW provided enhanced visualization of medium and large microcalcification objects; however, the benefits diminished for smaller high contrast objects and all low contrast objects. Visual analysis of the anthropomorphic phantom showed a measureable loss of resolution in the C-VIEW image (11 lp/mm FFDM, 5 lp/mm C-VIEW) and loss in detection of small microcalcification objects. Spectral analysis of the anthropomorphic phantom showed higher total noise magnitude in the FFDM image compared with C-VIEW. Whereas the FFDM image contained approximately white noise texture, the C-VIEW image exhibited marked noise reduction at midfrequency and high frequency with far less noise suppression at low frequencies resulting in a mottled noise appearance. Conclusions: Their analysis demonstrates many instances where the C-VIEW image quality differs from FFDM. Compared to FFDM, C-VIEW offers a better depiction of objects of certain size and contrast, but provides poorer overall resolution and noise properties. Based on these findings, the utilization of C-VIEW images in the clinical setting requires careful consideration, especially if considering the discontinuation of FFDM imaging. Not explicitly explored in this study is how the combination of DBT + C-VIEW performs relative to DBT + FFDM or FFDM alone.

60 APPLIED LIFE SCIENCES↗

Using ASCEM modeling and visualization to inform stakeholders of contaminant plume evolution and remediation efficacy at F-Basin Savannah river, SC - 15156

Communication with stakeholders, regulatory agencies, and the public is an essential part of implementing different remediation and monitoring activities, and developing site closure strategies at contaminated sites. Modeling of contaminant plume evolution plays a critical role in estimating the benefit, cost, and risk of particular options. At the same time, effective visualization of monitoring data and modeling results are particularly important for conveying the significance of the results and observations. In this paper, we present the results of the Advanced Simulation Capability for Environmental Management (ASCEM) project, including the discussion of the capabilities of newly developed ASCEM software package, along the its application to the F-Area Seepage Basins located in the U.S. Department of Energy Savannah River Site (SRS). ASCEM software includes state-of-the-art numerical methods for simulating complex flow and reactive transport, as well as various tool-sets such as a graphical user interface (GUI), visualization, data management, uncertainty quantification, and parameter estimation. Using this software, we have developed an advanced visualization of tritium plume migration coupled with a data management system, and simulated a three-dimensional model of flow and plume evolution on a high-performance computing platform. We evaluated the effect of engineered flow barriers on a nonreactive tritium plume, through advanced plume visualization and modeling of tritium plume migration. In addition, we developed a geochemical reaction network to describe complex geochemical processes at the site, and evaluated the impact of coupled hydrological and geochemical heterogeneity. These results are expected to support SRS's monitoring activities and operational decisions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mapping and Characterizing the Visual Impacts of the Existing US Wind Turbine Fleet

Visual impacts of wind turbines have been a persistent concern for wind energy development in the United States (US) for decades and remain a major source of project delays and cancellations. Assessments of visual impacts are frequently performed at a local scale for individual projects, but a comprehensive understanding of broader geographic patterns in visual impacts across the US is lacking. This paper presents a visual impact assessment of the existing land-based wind turbine fleet of the contiguous United States (CONUS). The assessment combines geographic information systems and 3D simulation methods to account for key factors driving the visual magnitude of impacts from the installed turbines. The results indicate that, despite the deployment of approximately 70,000 turbines and over 144 gigawatts of land-based wind in the CONUS, the visual impacts are very small when measured as a proportion of land area, population, and sensitive visual resources. Nonetheless, visual impacts are not evenly distributed: people experience a concentrated share in a small number of natural settings, primarily including plains, prairies, and deserts. Finally, we find that although increased density of wind development consistently leads to visual impacts across a greater proportion of land, it does not always lead to impacts to a greater share of the population. These findings suggest that visual impacts from wind energy are generally well-mitigated across the CONUS to date but also highlight the need for a deeper understanding of landscape sensitivity and individual perceptions of wind turbines in the most heavily impacted natural settings.

3D simulation↗

USAID Haiti Training Session #1: Engage Orientation [Slides]

Welcome to Engage! Engage is a capacity expansion modeling tool supported by the National Renewable Energy Laboratory and based on the Calliope open-source capacity expansion model developed by the ETH Zurich University, maintained at the TU Delft University. Engage is an accessible (free, open-access, web-hosted) and flexible web-based energy system planning application for rapid multiple-energy-form energy system scenario exploration. Its cloud-based, collaborator-sharable data model, intuitive interface and visualization capabilities facilitate collaboration and communication among teams, with experts, and among diverse stakeholder groups exploring energy system implications at from district to national-scale models. This training series was developed under USAID to empower Haitian stakeholders to explore modeling scenarios in Engage to develop a Haiti Energy Master Plan. This training series includes a general overview of how Engage works along with tailored exercises that target Haiti's specific energy needs, such as modeling the capacity expansion of the bulk power system, fuel scarcity challenges, the development of microgrids, and the economic viability of transmission strategies. See NREL/PR-7A40-89366 for the French translation of this document.

24 POWER TRANSMISSION AND DISTRIBUTION↗