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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Interstellar absorption lines in the spectrum of zeta Ophiuchi

Extensive high-resolution scans with the Copernicus UV spectrometer are combined with available ground-based data on interstellar lines to obtain temperatures, densities, and abundances in H I clouds and H II regions in the direction of zeta Oph. Column densities are obtained for 21 elements in various ionization stages, and upper limits are reported for 5 elements and 11 molecules. Analysis of radial velocities and growth curves indicates that H2, HD, and most neutral atoms are concentrated in one cloud with a heliocentric velocity of -14.4 km/s and that H II regions exist in addition to the Stroemgren sphere. The electron and proton densities are calculated for the -14.4 km/s cloud, and the temperatures required for the populations of the fine-structure levels in the C I ground state and the excited rotational levels of H2 are computed and indicate that the dense cloud must have some associated hotter regions. Relative to hydrogen, most of the elements in the H I clouds are found to be depleted by factors of 3 to 4000 as compared with solar system abundances, and several elements appear to be depleted in the H II regions as well.

Morton, D. C.↗
DOE OSTI2024

To Exascale and Beyond—The Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM), a Performance Portable Global Atmosphere Model for Cloud-Resolving Scales

The new generation of heterogeneous CPU/GPU computer systems offer much greater computational performance but are not yet widely used for climate modeling. One reason for this is that traditional climate models were written before GPUs were available and would require an extensive overhaul to run on these new machines. In addition, even conventional “high–resolution” simulations don't currently provide enough parallel work to keep GPUs busy, so the benefits of such overhaul would be limited for the types of simulations climate scientists are accustomed to. The vision of the Simple Cloud-Resolving Energy Exascale Earth System (E3SM) Atmosphere Model (SCREAM) project is to create a global atmospheric model with the architecture to efficiently use GPUs and horizontal resolution sufficient to fully take advantage of GPU parallelism. After 5 years of model development, SCREAM is finally ready for use. In this paper, we describe the design of this new code, its performance on both CPU and heterogeneous machines, and its ability to simulate real-world climate via a set of four 40 day simulations covering all 4 seasons of the year.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

Quantum chemical calculations on atomistic systems have evolved into a standard approach to studying molecular matter. These calculations often involve a significant amount of manual input and expertise, although most of this effort could be automated, which would alleviate the need for expertise in software and hardware accessibility. Here, we present the AutoRXN workflow, an automated workflow for exploratory high-throughput electronic structure calculations of molecular systems, in which (i) density functional theory methods are exploited to deliver minimum and transition-state structures and corresponding energies and properties, (ii) coupled cluster calculations are then launched for optimized structures to provide more accurate energy and property estimates, and (iii) multi-reference diagnostics are evaluated to back check the coupled cluster results and subject them to automated multi-configurational calculations for potential multi-configurational cases. All calculations are carried out in a cloud environment and support massive computational campaigns. Key features of all components of the AutoRXN workflow are autonomy, stability, and minimum operator interference. We highlight the AutoRXN workflow with the example of an autonomous reaction mechanism exploration of the mode of action of a homogeneous catalyst for the asymmetric reduction of ketones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Towards Cross-Facility Workflows Orchestration through Distributed Automation

Modern science relies on end-to-end workflows that incorporate experimental instruments and utilize edge, cloud, or high-performance computing and storage resources. These components are geographically dispersed across various user facilities and interconnected through high-speed networks. In this paper, we present Zambeze, an automated distributed framework designed to facilitate this new class of cross-facility workflows. Utilizing swarm intelligence principles, Zambeze orchestrates science campaigns by managing distributed autonomous agents. These agents can offer a suite of services, including computing, storage, and data management. We demonstrate the feasibility of Zambeze through a real-world application involving electron microscopy, enhanced with Artificial Intelligence capabilities.

Skluzacek, Tyler↗
DOE OSTI2024

Use Case-Informed Framework for Utility Cloud Migration

This white paper presents a comprehensive methodology for assessing utilities’ cloud postures and frameworks. It aims to produce a roadmap and strategy for a cloud-enabled grid future, providing guidance for integrators, asset owners, and operators. Instead of offering a yes or no answer for cloud implementation, this framework offers strategic guidance on responsibly preparing for and deploying cloud solutions. This paper delves into cloud-service models pertinent to the electric sector, dissecting the shared responsibility model and elucidating what on-premise infrastructure as a service (IaaS), platform as a service (PaaS), and software as a service (SaaS) entail. A pivotal consideration within the context of the shared responsibility model is the allocation of responsibility for foundational security aspects—a decision that will be informed by a comprehensive risk assessment. The ensuing discussion will present a checklist of certifications necessary for a secure cloud transition, equipping utilities with the knowledge to navigate this digital transformation with confidence and with a strategic roadmap. Furthermore, the paper outlines gaps in understanding the U.S. government’s role in shaping technology development and responsible use. Its purpose is to aid decision-making by offering support for risk-informed solutions that benefit those managing assets and operating in the cloud environment. The primary objective is to enhance the resilience and future readiness of a decarbonized electric grid, with cloud solutions as one viable option. The paper synthesizes information on current and future grid architectures and applications, considering both conservative and progressive energy transitions, along with scalable and distributed computing considerations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Angle Assessment for Upper Limb Rehabilitation: A Novel Light Detection and Ranging (LiDAR)-Based Approach

The accurate measurement of joint angles during patient rehabilitation is crucial for informed decision making by physiotherapists. Presently, visual inspection stands as one of the prevalent methods for angle assessment. Although it could appear the most straightforward way to assess the angles, it presents a problem related to the high susceptibility to error in the angle estimation. In light of this, this study investigates the possibility of using a new approach to angle calculation: a hybrid approach leveraging both a camera and LiDAR technology, merging image data with point cloud information. This method employs AI-driven techniques to identify the individual and their joints, utilizing the cloud-point data for angle computation. The tests, considering different exercises with different perspectives and distances, showed a slight improvement compared to using YOLO v7 for angle calculation. However, the improvement comes with higher system costs when compared with other image-based approaches due to the necessity of equipment such as LiDAR and a loss of fluidity during the exercise performance. Therefore, the cost–benefit of the proposed approach could be questionable. Nonetheless, the results hint at a promising field for further exploration and the potential viability of using the proposed methodology.

Klein, Luan C. (ORCID:000000016306574X)↗
NASA NTRS1976

Scattering in the atmosphere of Venus. Line profiles and phase curves for Rayleigh scattering

Spectral line profiles, curves of growth, and curves for the equivalent width of a line as a function of Venus phase angle are computed for a Rayleigh scattering cloud and compared with those for a cloud of isotropic scatterers. The results are similar for the two kinds of scattering, with the exception for the curves of equivalent width as a function of Venus phase angle. These latter curves exhibit the inverse phase effect and rule out the possibility that the scale height of the clouds can be much less than half the scale height of the gas.

Young, L. D. G.↗
NASA NTRS1977

Scattering in the atmosphere of Venus. III - Line profiles and phase curves for Rayleigh scattering

Spectral line profiles, curves of growth, and curves for the equivalent width of a line as a function of Venus phase angle have been computed for a Rayleigh scattering cloud and compared with those for a cloud of isotropic scatterers. The results are very similar for the two kinds of scattering, with the exception of the curves of equivalent width as a function of Venus phase angle. These latter curves exhibit the 'inverse phase effect' and rule out a scale height of the clouds much less than half the scale height of the gas. The optical depth of the clouds is approximately 100.

Young, L. D. G.↗
NASA NTRS1990

Studies of stratospheric particulates

A sophisticated computer model of polar stratospheric clouds was developed and used to study the properties of ice clouds. The model has recently been extended to investigate nitric acid clouds and ice clouds as well as their interactions with stratospheric gases. The model is now being applied to interpret data collected during recent expeditions to the Antarctic and the Arctic. Some work has also been done to understand the properties of noctilucent clouds and their implications for the chemistry and dynamics of the upper stratosphere.

Toon, Owen B.↗
NASA NTRS2001

GOES-Microburst Products Performance Analysis In The Cape Canaveral And Kennedy Space Center Areas

In the past few years, the capabilities of NOAA Geostationary Operational Environmental Satellites (GOES) have increased dramatically. Hourly vertical sounder data is now generally available, but may be unavailable depending upon cloud conditions, satellite operations, and computer system problems at NOAA's National Environmental Satellite Display and Information Service (NESDIS). Meteorologists at NESDIS have used vertical sounder data to develop experimental products for forecasting the probability of convective downbursts. The two products of interest are the Microburst Day Predictive Index (MDPI), which provides an indication of microburst potential and the WINDEX which is a forecast of maximum winds assuming a microburst does occur. Data analyses were made for the central Florida convective season, that is, the period beginning May I and ending September 30. The MDPI showed significant potential as an aid in forecasting convective downbursts. MDPI calculated from GOES soundings were well correlated with those calculated from Cape Canaveral RAOBs.

Witiw, Michael R.↗
NASA NTRS2002

GOES-Microburst Products Performance Analysis in the Cape Canaveral and Kennedy Space Center Areas

In the past few years, the capabilities of NOAA Geostationary Operational Environmental Satellites (GOES) have increased dramatically. Hourly vertical sounder data is now generally available, but may be unavailable depending upon cloud conditions, satellite operations, and computer system problems at NOAA#s National Environmental Satellite Display and Information Service (NESDIS). Meteorologists at NESDIS have used vertical sounder data to develop experimental products for forecasting the probability of convective downbursts. The two products of interest are the Microburst Day Predictive Index (MDPI), which provides an indication of microburst potential and the WINDEX which is a forecast of maximum winds assuming a microburst does occur. Data analyses were made for the central Florida convective season, that is, the period beginning May 1 and ending September 30. The MDPI showed significant potential as an aid in forecasting convective downbursts. MDPI calculated from GOES soundings were well correlated with those calculated from Cape Canaveral RAOBs.

Witiw, Michael R.↗
NASA NTRS1999

S'COOL Provides Research Opportunities and Current Data for Today's Technological Classroom

NASA's Students' Cloud Observations On-Line (S'COOL) project, a hands-on educational project, was an innovative idea conceived by the scientists in the Radiation Sciences Branch at NASA Langley Research Center, Hampton, Virginia, in 1996. It came about after a local teacher expressed the idea that she wanted her students to be involved in real-life science. S'COOL supports NASA's Clouds and the Earth's Radiant Energy System (CERES) instrument, which was launched on the Tropical Rainforest Measuring Mission (TRMM) in November, 1997, as part of NASA's Earth Science Enterprise. With the S'COOL project students observe clouds and related weather conditions, compute data and note vital information while obtaining ground truth observations for the CERES instrument. The observations can then be used to help validate the CERES measurements, particularly detection of clear sky from space. In addition to meeting math, science and geography standards, students are engaged in using the computer to obtain, report and analyze current data, thus bringing modern technology into the realm of classroom, a paradigm that demands our attention.

Green, Carolyn J.↗
NASA NTRS1998

S'COOL Takes Students to New Heights

Students Cloud Observations On-Line (S'COOL) is a hands-on educational project which supports NASA's Clouds and the Earth s Radiant Energy System (CERES) satellite instrument; part of the Earth Science Enterprise studying our planet. S'COOL meets science, math, technology and geography Standards of Learning (SOLs) as students observe clouds and related weather conditions, compute data and locate vital information while obtaining ground truth observations for the CERES instrument. These observations can then be used to help validate the CERES measurements; particularly detection of clear sky from space. Participants to date have been in 20 states and 5 countries and have reported great interest and learning among their students. Many have used this project as a stepping stone to further learning in other areas of Earth Science; and to do more with the Internet in the classroom. Satellite images and clues to their interpretation are used on the website ( http://asd-www.larc.nasa.gov/SCOOL/) . Background information is also given on Earth's Radiation Budget and it s importance in understanding our climate. Students can retrieve both their observations and the corresponding satellite data and participate in the validation efforts. A number of suggestions for studies to be done with the data, and related lesson plans, are available. Teachers can tailor this project to the appropriate level and subject matter needed for their students. The recommended grade level is 4th through 12th grade. The project is now open to new participants. We particularly seek schools in more remote areas, to obtain wider geographic coverage for ground truth data; so the project has been designed to use, but not require, computer technology. AGU participants attending the S'COOL presentation will be given a handout describing the project. Material for introducing the project in the classroom will be demonstrated in a participatory style.

Green, Carolyn J.↗
NASA NTRS2009

Astrochemical Modeling In the ALMA Era

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates, that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too slow by the standards of terrestrial chemistry, can be observed' and modeled. Various proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on grain surfaces can, in principle, lead to a large variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build large species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various sources to be observed by ALMA will be outlined.

Charnley, Steven↗
NASA NTRS2009

Theoretical Models of Astrochemical Processes

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates. that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too sloe by the standards of terrestrial chemistry, can be 'observed and modeled. Curious proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on "rain surfaces can, in principle, lead to a lame variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build lame species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various astronomical sources to be observed by Herschel and ALMA will be outlined.

Charnley, Steven↗
NASA NTRS2011

Superpixel-Augmented Endmember Detection for Hyperspectral Images

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Thompson, David R.↗
NASA NTRS2012

Theoretical Models of Astrochemical Processes

Interstellar chemistry provides a natural laboratory for studying exotic species and processes at densities, temperatures, and reaction rates, that are difficult or impractical to address in the laboratory. Thus, many chemical reactions considered too slow by the standards of terrestrial chemistry, can be 'observed' and modeled. Various proposals concerning the nature and chemistry of complex interstellar organic molecules will be described. Catalytic reactions on grain surfaces can, in principle, lead to a large variety of species and this has motivated many laboratory and theoretical studies. Gas phase processes may also build large species in molecular clouds. Future laboratory data and computational tools needed to construct accurate chemical models of various astronomical sources to be observed by Herschel and ALMA will be outlined

Charnley, Steven B.↗