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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Data co-processing for extreme scale analysis level II ASC milestone (4745).

Exascale supercomputing will embody many revolutionary changes in the hardware and software of high-performance computing. A particularly pressing issue is gaining insight into the science behind the exascale computations. Power and I/O speed con- straints will fundamentally change current visualization and analysis work ows. A traditional post-processing work ow involves storing simulation results to disk and later retrieving them for visualization and data analysis. However, at exascale, scien- tists and analysts will need a range of options for moving data to persistent storage, as the current o ine or post-processing pipelines will not be able to capture the data necessary for data analysis of these extreme scale simulations. This Milestone explores two alternate work ows, characterized as in situ and in transit, and compares them. We nd each to have its own merits and faults, and we provide information to help pick the best option for a particular use.

Rogers, David↗
DOE OSTI2015

Batch crystallization of rhodopsin for structural dynamics using an X-ray free-electron laser

A new batch preparation method is presented for high-density micrometre-sized crystals of the G protein-coupled receptor rhodopsin for use in time-resolved serial femtosecond crystallography at an X-ray free-electron laser using a liquid jet. Rhodopsin is a membrane protein from the G protein-coupled receptor family. Together with its ligand retinal, it forms the visual pigment responsible for night vision. In order to perform ultrafast dynamics studies, a time-resolved serial femtosecond crystallography method is required owing to the nonreversible activation of rhodopsin. In such an approach, microcrystals in suspension are delivered into the X-ray pulses of an X-ray free-electron laser (XFEL) after a precise photoactivation delay. Here, a millilitre batch production of high-density microcrystals was developed by four methodical conversion steps starting from known vapour-diffusion crystallization protocols: (i) screening the low-salt crystallization conditions preferred for serial crystallography by vapour diffusion, (ii) optimization of batch crystallization, (iii) testing the crystal size and quality using second-harmonic generation (SHG) imaging and X-ray powder diffraction and (iv) production of millilitres of rhodopsin crystal suspension in batches for serial crystallography tests; these crystals diffracted at an XFEL at the Linac Coherent Light Source using a liquid-jet setup.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

WTP Waste Feed Qualification: Glass Fabrication Unit Operation Testing Report

The waste feed qualification program is being developed to protect the Hanford Tank Waste Treatment and Immobilization Plant (WTP) design, safety basis, and technical basis by assuring waste acceptance requirements are met for each staged waste feed campaign prior to transfer from the Tank Operations Contractor to the feed receipt vessels inside the Pretreatment Facility. The Waste Feed Qualification Program Plan describes the three components of waste feed qualification: 1. Demonstrate compliance with the waste acceptance criteria 2. Determine waste processability 3. Test unit operations at laboratory scale. The glass fabrication unit operation is the final step in the process demonstration portion of the waste feed qualification process. This unit operation generally consists of combining each of the waste feed streams (high-level waste (HLW) and low-activity waste (LAW)) with Glass Forming Chemicals (GFCs), fabricating glass coupons, performing chemical composition analysis before and after glass fabrication, measuring hydrogen generation rate either before or after glass former addition, measuring rheological properties before and after glass former addition, and visual observation of the resulting glass coupons. Critical aspects of this unit operation are mixing and sampling of the waste and melter feeds to ensure representative samples are obtained as well as ensuring the fabrication process for the glass coupon is adequate. Testing was performed using a range of simulants (LAW and HLW simulants), and these simulants were mixed with high and low bounding amounts of GFCs to evaluate the mixing, sampling, and glass preparation steps in shielded cells using laboratory techniques. The tests were performed with off-the-shelf equipment at the Savannah River National Laboratory (SRNL) that is similar to equipment used in the SRNL work during qualification of waste feed for the Defense Waste Processing Facility (DWPF) and other waste treatment facilities at the Savannah River Site. It is not expected that the exact equipment used during this testing will be used during the waste feed qualification testing for WTP, but functionally similar equipment will be used such that the techniques demonstrated would be applicable. For example, the mixing apparatus could use any suitable mixer capable of being remoted and achieving similar mixing speeds to those tested.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Element-specific first order reversal curves measured by magnetic transmission x-ray microscopy

The first-order reversal curve (FORC) method is a macroscopic measurement technique that can be used to extract quantitative and microscopic properties of hysteretic systems. Using magnetic transmission x-ray microscopy (MTXM), local element-specific FORC measurements are performed on a 20 nm thick film of CoTb. The FORCs measured with microscopy reveal a step-by-step domain evolution under the magnetic field cycling protocol and provide a direct visualization of the mechanistic interpretation of FORC diagrams. They are compared with magnetometry FORCs and show good quantitative agreement. Furthermore, the high spatial resolution and element-specific sensitivity of MTXM provide new capabilities to measure FORCs in small regions or specific phases within multicomponent systems, including buried layers in heterostructures. The ability to perform FORCs on very small features is demonstrated with the MTXM-FORC measurement of a rectangular microstructure with vortex-like Landau structures. This work demonstrates the confluence of two uniquely powerful techniques to achieve quantitative insight into nanoscale magnetic behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Big Data as a Service from an Urban Information System

Big Data has already proven itself as a valuable tool that lets geographers and urban researchers utilize large data re- sources to generate new insights. However, wider adoption of Big Data techniques in these areas is impeded by a number of difficulties in both knowledge discovery and data and sci- ence production. Typically users face such problems as dis- parate and scattered data, data management, spatial search- ing, insufficient computational capacity for data-driven anal- ysis and modelling, and the lack of tools to quickly visual- ize and summarize large data and analysis results. Here we propose an architecture for an Urban Information Sys- tem (UrbIS) that mitigates these problems by utilizing the Big Data as a Service (BDaaS) concept. With technolog- ical roots in High-performance Computing (HPC), BDaaS is based on the idea of outsourcing computations to dif- ferent computing paradigms, scalable to super-computers. UrbIS aims to incorporate federated metadata search, in- tegrated modeling and analysis, and geovisualization into a single seamless workflow. The system is under active devel- opment and is built around various emerging technologies that include hybrid and NoSQL databases, massively par- allel systems, GPGPU computing, and WebGL-based geo- graphic visualization. UrbIS is designed to facilitate using Big Data across multiple cities to better understand how ur- ban areas impact the environment and how climate change and other environmental change impact urban areas.

Sorokine, Alexandre↗
DOE OSTI2015

Investigations of element spatial correlation in Mn-promoted Co-based Fischer–Tropsch synthesis catalysts

Making connections between performance and structure in bimetallic catalysts requires knowledge of how the two elements are spatially associated. Elemental maps obtained by analytical TEM methods are an invaluable tool for identifying the location of different elements, but for many samples, visual inspection of elemental maps is insufficient for assessing the degree of element spatial correlation. This is particularly true for beam-sensitive materials where short mapping acquisition times lead to images with high noise and low color depth. In these situations, statistical analysis of elemental maps can be used to identify spatial correlations among the elements in a sample. In this work, the relationship between catalyst performance and bimetallic spatial association was explored using Mn-promoted Co-based Fischer-Tropsch synthesis catalysts prepared by different pretreatment methods. Mn was used as a catalyst additive to suppress methane formation. Catalysts that underwent calcination before reduction produced more methane and fewer long-chain hydrocarbons than catalysts that were directly reduced. The extent to which Co and Mn were spatially associated was assessed using correlation metrics, colocation plots, and histograms generated using data from STEM-EDS maps. Although both catalysts yielded visually similar elemental maps, the results of statistical analysis suggested that the calcined catalyst exhibited greater spatial segregation between the Co and Mn. These findings support the hypothesis that having Mn in close proximity to the Co is essential for the manifestation of Mn promotion effects in Co-based FTS catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

VTK-m User's Guide (V.1.8)

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. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Charge transport in mixed metal halide perovskite semiconductors

Investigation of the inherent field-driven charge transport behaviour of three-dimensional lead halide perovskites has largely remained challenging, owing to undesirable ionic migration effects near room temperature and dipolar disorder instabilities prevalent specifically in methylammonium-and-lead-based high-performing three-dimensional perovskite compositions. Here, in this paper, we address both these challenges and demonstrate that field-effect transistors based on methylammonium-free, mixed metal (Pb/Sn) perovskite compositions do not suffer from ion migration effects as notably as their pure-Pb counterparts and reliably exhibit hysteresis-free p-type transport with a mobility reaching 5.4 cm 2 V –1 s -1 . The reduced ion migration is visualized through photoluminescence microscopy under bias and is manifested as an activated temperature dependence of the field-effect mobility with a low activation energy (~48 meV) consistent with the presence of the shallow defects present in these materials. An understanding of the long-range electronic charge transport in these inherently doped mixed metal halide perovskites will contribute immensely towards high-performance optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

In operando neutron imaging characterizations of all-solid-state batteries

The surge in electric vehicle demand has propagated the extensive application of lithium-ion batteries (LIBs) in recent years. Gaining significant traction due to their promising high-energy density and elevated safety over traditional LIBs, all-solid-state Li batteries (ASLBs) have nonetheless been faced with hurdles relating to battery performance. These include concerns with interfacial compatibility, structural stability, Li dendrite inhibition, and large-scale manufacturing. To tackle these issues, it is necessary to employ advanced characterization methods to comprehend the intrinsic mechanisms within ASLBs. In this article, we advocate for the use of neutron imaging as a nondestructive approach for the operando visualization of ASLBs. We draw comparisons with other operando visualization strategies, underline the benefits of neutron imaging, and discuss its potential applicability in the scrutiny of all-solid-state Li metal batteries and all-solid-state Li-sulfur batteries. Neutron imaging provides valuable insights into the dynamics of Li concentration, reaction mechanisms, and transport constraints in ASLBs. These insights are pivotal in contributing to the evolution of high-performance all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2015

Airborne Single Particle Mass Spectrometers (SPLAT II & miniSPLAT) and New Software for Data Visualization and Analysis in a Geo-Spatial Context

Understanding the effect of aerosols on climate requires knowledge of the size and chemical composition of individual aerosol particles - two fundamental properties that determine an aerosol’s optical properties and ability to serve as cloud condensation or ice nuclei. Here we present miniSPLAT, our new aircraft compatible single particle mass spectrometer, that measures in-situ and in real-time size and chemical composition of individual aerosol particles with extremely high sensitivity, temporal resolution, and sizing precision on the order of a monolayer. miniSPLAT operates in dual data acquisition mode to measure, in addition to single particle size and composition, particle number concentrations, size distributions, density, and asphericity with high temporal resolution. When compared to our previous instrument, SPLAT II, miniSPLAT has been significantly reduced in size, weight, and power consumption without loss in performance. We also present ND-Scope, our newly developed interactive visual analytics software package. ND-Scope is designed to explore and visualize the vast amount of complex, multidimensional data acquired by our single particle mass spectrometers, along with other aerosol and cloud characterization instruments on-board aircraft. We demonstrate that ND-Scope makes it possible to visualize the relationships between different observables and to view the data in a geo-spatial context, using the interactive and fully coupled Google Earth and Parallel Coordinates displays. Here we illustrate the utility of ND-Scope to visualize the spatial distribution of atmospheric particles of different compositions, and explore the relationship between individual particle composition and their activity as cloud condensation nuclei.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Liquid helium fluid dynamics studies. Final Technical Report

Future high energy physics accelerators depend on a number of advanced technologies to open the many doors of scientific discovery. Among these advanced technologies, superconducting magnets and superconducting radio frequency (SRF) cavities are the backbone of the accelerator and detector systems. But all these low temperature systems depend critically on successful and reliable operation of their supporting technologies, among which the liquid helium cooling system is of the utmost importance. To improve the quality of these systems both in terms of efficiency and reliability, a robust helium cryogenics research and development (R&D) effort is required. The proposed research to be conducted by the FSU cryogenics group aims to produce fundamental knowledge that meets this R&D need. The projects that we have completed over the past grant period at Florida State University consist of experimental research on liquid helium fluid dynamics and heat transfer problems relevant to the development of future superconducting particle physics accelerators. Liquid helium is the coolant used in all such facilities and in many of these facilities He II (the low temperature phase of liquid helium also known as superfluid helium) is preferred due to its outstanding heat transfer characteristics. The work consists of two main experimental studies that probe both fundamental as well as practical aspects of liquid helium cooling. The first is a broad and fundamental study of the heat and mass transfer processes that can occur during a sudden catastrophic loss of vacuum (SCLV) incident in a superconducting accelerator. SCLV refers to the remote but extremely critical accident scenario where atmospheric pressure air is allowed to flood into the insulating vacuum system and impinge on the liquid helium cooled surfaces in the accelerator. Safe performance and recovery from such accidents is essential to the reliable operation of superconducting accelerators. The dynamics of this process is quite complex and so our approach is to conduct a series of well-orchestrated experiments that probe the various physical phenomena that can occur during an SCLV event. The experiments are coupled with analytic and numerical analysis in an effort to develop a general understanding of the process and to assist with future accelerator design and development. The second activity is directed toward fundamental understanding of heat and mass transfer in He II, which is essential to the design of superconducting magnets and radio frequency cavities in accelerators. The work consists of flow visualization of the dynamics of He II using laser assisted techniques. Two complementary techniques are used to study the fundamentals of the turbulent state. The first technique uses neutrally buoyant solid hydrogen particles to probe the flow fields of the superfluid and normal fluid components. The other technique uses laser excited He2* molecules as tracers of the normal fluid motion within the He II. The activities also included an effort to use visualization techniques to locate transient hot spots in radio frequency superconducting cavities. Such work provides valuable information about the heat transfer process in He II and its impact on the performance of superconducting devices. The research effort at Florida State University is not directly in support of a specific high energy physics experiment or facility. Rather, the work is general and coordinated with HEP accelerator laboratories to provide valuable insight that can assist with future accelerator development.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

CALiPER Exploratory Study: Recessed Troffer Lighting

This report describes an exploration of troffer lighting as used in office and classroom spaces, which was conducted by the CALiPER program. Twenty-four pairs of 2×2 and 2×4 troffers were procured anonymously, documented, tested for photometric and electrical performance, and installed in a mockup office space in Portland, Oregon. Three of the pairs were T8 fluorescent benchmark products, 12 were dedicated LED troffers, five were fluorescent troffers modified for LED lamps (sometimes referred to as "tubes"), and another four troffers were modified with LED retrofit kits. The modifications were performed by a commercial electrical contractor, following the instructions provided by the retrofit lamp or kit manufacturer. Once installed in the mockup facility, the converted luminaires were examined by a NRTL (Nationally Recognized Testing Laboratory) safety expert, who provided feedback on safety issues. In September 2012, a group of lighting designers, engineers, and facility managers were brought in to observe the LED luminaires in comparison to fluorescent benchmarks. This report documents performance in measures that go beyond illuminance values or luminaire efficacy. Dedicated LED troffers are ready to compete with fluorescent troffers in terms of efficacy (lumens per watt), and in many lighting quality issues such as glare, light distribution, visual appearance, and color quality. That is not to say that each one is stellar, but each one tested in this CALiPER study bested the fluorescent benchmarks in terms of efficacy, and almost all were rated highly in several categories -- only one luminaire of twelve performed consistently poorly.

CALiPER Program↗
DOE OSTI2021

Study of the film boiling heat transfer and two-phase flow interface behavior using image processing

Here, in this study, based on a small-scale quench test facility, the two-phase flow interface behavior during quench transients is visualized and analyzed utilizing an image processing framework. The high-fidelity experimental results obtained for two-phase flow in the current framework can support various studies both in the time domain and in the frequency domain. In particular, visualization of the data obtained from different heating surfaces under different test conditions are used to perform a full-scale transient 2-D vapor film reconstruction. The liquid-vapor interface variations in various heat transfer regimes as well as at the initial film breakup point can be directly obtained through the processed data. Moreover, the temporal variation of the interfacial wave frequency approaching quench is investigated in detail. Based on the high-resolution data obtained for the liquid-vapor interface, the detailed phase velocity and temperature profiles are obtained through theoretic analysis, based on which the film boiling heat transfer coefficient (HTC) can be determined. In addition, an improved film boiling HTC model is developed considering the effects of wall superheat, liquid subcooling temperature, vapor film thickness as well as fluid properties. The model is found to predict film boiling HTC well within 15% error.

42 ENGINEERING↗
DOE OSTI2018

Intrinsic anion diffusivity in lead halide perovskites is facilitated by a soft lattice

Significance Understanding and controlling the ion migration in a solid-state semiconductor is essential for device performance in modern photonics, electronics, and optoelectronics. Direct microstructural observation and atomic-scale mechanism of the intrinsic lattice diffusion are still highly challenging. Here, we report the direct visualization of halide anion interdiffusion in CsPbCl 3 –CsPbBr 3 single crystalline nanowire heterojunctions via nanoscale imaging, allowing for the direct measuring of intrinsic lattice diffusivities. The intrinsic halide diffusivities were found to be several orders of magnitudes lower than those reported in polycrystalline thin films. Together with multiscale modeling, we further demonstrate how anionic diffusion in lead halides is determined by low barriers to vacancy hopping and facilitated by the soft perovskite lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Evolving the Land Information System into a Cloud Computing Service

The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues. The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

ROBIN (RuciO/BIgData Express/SENSE) A Next-Generation High-Performance Data Service Platform

Increasingly, scientific research discoverydepends on the analysis of extremely large amounts of data. Thisdata is gathered through very large scientific instruments, verylarge numbers of small devices, and mid-scale instruments.These devices generate exponentially increasing volumes of data.Such data is often obtained, analyzed, stored, visualized, andtransferred at and among sites world-wide by largecollaborations of science communities. Managing and movingextremely large volumes of data across today’s networks is aspecial multidimensional challenge. Also, existing datamanagement and movement services and tools often areinadequate to address all specific requirements. This paperdescribes the various components of this challenge and howthose issues can be addressed by ROBIN, a uniquecomprehensive set of integrated services designed specificallyfor managing and moving extremely large amounts of data overlong distances, e.g., thousands of miles around the globe. Thispaper also describes the results of initial experiments using thatset of integrated services.

Wu, Wenji↗
DOE OSTI2016

Jet-images — deep learning edition

Building on the notion of a particle physics detector as a camera and the collimated streams of high energy particles, or jets, it measures as an image, we investigate the potential of machine learning techniques based on deep learning architectures to identify highly boosted W bosons. Modern deep learning algorithms trained on jet images can out-perform standard physically-motivated feature driven approaches to jet tagging. We develop techniques for visualizing how these features are learned by the network and what additional information is used to improve performance. Finally, this interplay between physically-motivated feature driven tools and supervised learning algorithms is general and can be used to significantly increase the sensitivity to discover new particles and new forces, and gain a deeper understanding of the physics within jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗