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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High-throughput calculations of catalytic properties of bimetallic alloy surfaces

Abstract A comprehensive database of chemical properties on a vast set of transition metal surfaces has the potential to accelerate the discovery of novel catalytic materials for energy and industrial applications. In this data descriptor, we present such an extensive study of chemisorption properties of important adsorbates - e.g., C, O, N, H, S, CH x , OH, NH, and S H - on 2,035 bimetallic alloy surfaces in 5 different stoichiometric ratios, i.e., 0%, 25%, 50%, 75%, and 100%. To our knowledge, it is the first systematic study to compile the adsorption properties of such a well-defined, large chemical space of catalytic interest. We propose that a collection of catalytic properties of this magnitude can assist with the development of machine learning enabled surrogate models in theoretical catalysis research to design robust catalysts with high activity for challenging chemical transformations. This database is made publicly available through the platform www.Catalysis-hub.org for easy retrieval of the data for further scientific analysis.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Artificial lunar impact craters: Four new identifications, part I

The Apollo 16 panoramic camera photographed the impact locations of the Ranger 7 and 9 spacecraft and the S-4B stage of the Apollo 14 Saturn launch vehicle. Identification of the Ranger craters was very simple because each photographed its target point before impact. Identification of the S-4B impact crater proved to be a simple matter because the impact location, as derived from earth-based tracking, displayed a prominent and unique system of mixed light and dark rays. By using the criterion of a dark ray pattern, a reexamination of the Apollo 14 500 mm Hasselblad sequence taken of the Apollo 13 S-4B impact area was made. This examination quickly led to the discovery of the ray system and the impact crater. The study of artificial lunar impact craters, ejecta blankets, and ray systems provides the long-needed link between the various experimental terrestrial impact and explosion craters, and the naturally occurring impact craters on the moon. This elementary study shows that lunar impact crater diameters are closely predictable from a knowledge of the energies involved, at least in the size range considered, and suggests that parameters, such as velocity, may have a profound effect on crater morphology and ejecta blanket albedo.

Whitaker, E. A.↗
DOE OSTI2021

Genome‐enabled exploration of microbial ecology and evolution in the sea: a rising tide lifts all boats

Summary As a young bacteriologist just launching my career during the early days of the ‘microbial revolution’ in the 1980s, I was fortunate to participate in some early discoveries, and collaborate in the development of cross‐disciplinary methods now commonly referred to as "metagenomics". My early scientific career focused on applying phylogenetic and genomic approaches to characterize ‘wild’ bacteria, archaea and viruses in their natural habitats, with an emphasis on marine systems. These central interests have not changed very much for me over the past three decades, but knowledge, methodological advances and new theoretical perspectives about the microbial world certainly have. In this invited ‘How we did it’ perspective, I trace some of the trajectories of my lab's collective efforts over the years, including phylogenetic surveys of microbial assemblages in marine plankton and sediments, development of microbial community gene‐ and genome‐enabled surveys, and application of genome‐guided, cultivation‐independent functional characterization of novel enzymes, pathways and their relationships to in situ biogeochemistry. Throughout this short review, I attempt to acknowledge, all the mentors, students, postdocs and collaborators who enabled this research. Inevitably, a brief autobiographical review like this cannot be fully comprehensive, so sincere apologies to any of my great colleagues who are not explicitly mentioned herein. I salute you all as well!

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2022

PACE: How One NASA Mission Aligns With the United Nations Decade of Ocean Science for Sustainable Development (Ocean Shot #1)

The Plankton, Aerosol, Cloud, ocean Ecosystem (PACE; https://pace.gsfc.nasa.gov) mission, scheduled for launch in January 2024, will extend the continuous high-quality ocean color, atmospheric aerosol, and cloud data records begun by NASA in the late 1990s, building on the heritage of the Coastal Zone Color Scanner (CZCS), Sea-viewing Wide Field-of-view Sensor (SeaWiFS), Moderate Resolution Imaging Spectroradiometer (MODIS), and Visible Infrared Imaging Radiometer Suite (VIIRS) (Figure 1). PACE’s global hyperspectral imaging radiometer design concept will enable new discoveries in Earth’s living ocean (Figure 2), such as the diversity of organisms fueling marine food webs and how aquatic ecosystems respond to environmental change. Its instrument payload (Figure 3) will also observe Earth’s atmosphere to study clouds, airborne aerosol particles, and the interactions between the two. Looking at the ocean, clouds, and aerosols together will improve our knowledge of the roles each plays in our evolving planet. Other applications of PACE science data records—from identifying the frequency, extent, and duration of aquatic harmful algal blooms to improving our understanding of air quality—will result in direct economic, recreational, and societal benefits. Ultimately, by extending and expanding NASA’s long record of global Earth satellite observations, the PACE mission will monitor our home planet in new and advanced ways in the coming decade.

Ocean color↗
NASA NTRSDate not supplied

Advancing Open Source Science Initiatives Through Public-Private Partnerships

Collaboration is fundamental to advancing open science within the science community. With the recent developments in technology and research, the establishment of formal partnerships between the private sector and government agencies are needed to bridge the knowledge gaps and expedite the time to actionable science. NASA’s Interagency Implementation and Advanced Concepts Team (IMPACT) seeks to address this challenge by establishing non-reimbursable Space Act Agreements with industry leaders in cloud computing, artificial intelligence (AI) and machine learning. The purpose of these agreements is to advance open source science initiatives in the areas of data discovery, access and use of high value NASA science data sets on the cloud. As well as, jointly work on common research problems to accelerate the development and adoption of new AI technologies. Current success stories include co-locating NASA datasets from multiple science disciplines on one platform using Amazon Web Services Open Data Registry, developing AI Foundation Models for Science with IBM and co-hosting training workshops and tutorials for the science community aimed at providing hands-on experience with using NASA data and AI models on the cloud. In summary, we will present an overview of our partnerships supporting open source science initiatives, describe current activities and lessons learned that may be useful to others considering similar partnerships with the private sector.

Elizabeth Fancher↗
DOE OSTI2024

Mapping of flumioxazin tolerance in a snap bean diversity panel leads to the discovery of a master genomic region controlling multiple stress resistance genes

Effective weed management tools are crucial for maintaining the profitable production of snap bean (Phaseolus vulgaris L.). Preemergence herbicides help the crop to gain a size advantage over the weeds, but the few preemergence herbicides registered in snap bean have poor waterhemp (Amaranthus tuberculatus) control, a major pest in snap bean production. Waterhemp and other difficult-to-control weeds can be managed by flumioxazin, an herbicide that inhibits protoporphyrinogen oxidase (PPO). However, there is limited knowledge about crop tolerance to this herbicide. We aimed to quantify the degree of snap bean tolerance to flumioxazin and explore the underlying mechanisms. We investigated the genetic basis of herbicide tolerance using genome-wide association mapping approach utilizing field-collected data from a snap bean diversity panel, combined with gene expression data of cultivars with contrasting response. The response to a preemergence application of flumioxazin was measured by assessing plant population density and shoot biomass variables. Snap bean tolerance to flumioxazin is associated with a single genomic location in chromosome 02. Tolerance is influenced by several factors, including those that are indirectly affected by seed size/weight and those that directly impact the herbicide's metabolism and protect the cell from reactive oxygen species-induced damage. Transcriptional profiling and co-expression network analysis identified biological pathways likely involved in flumioxazin tolerance, including oxidoreductase processes and programmed cell death. Transcriptional regulation of genes involved in those processes is possibly orchestrated by a transcription factor located in the region identified in the GWAS analysis. Several entries belonging to the Romano class, including Bush Romano 350, Roma II, and Romano Purpiat presented high levels of tolerance in this study. The alleles identified in the diversity panel that condition snap bean tolerance to flumioxazin shed light on a novel mechanism of herbicide tolerance and can be used in crop improvement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Text Mining for Process–Structure–Properties Relationships in Metals

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery—although significant challenges remain. While LLMs offer promising few- and zero-shot learning capabilities, particularly valuable in the materials domain where expert annotations are scarce, general-purpose LLMs often fail to address key materials-specific queries without further adaptation. To bridge this gap, fine-tuning LLMs on human-labeled data is essential for effective structured knowledge extraction (Liu in The Importance of Human-Labeled Data in the Era of LLMs, 2023). Here, in this study, we introduce a novel annotation schema designed to extract generic process–structure–properties relationships from scientific literature. We demonstrate the utility of this approach using a dataset of 128 abstracts, with annotations drawn from two distinct domains: high-temperature materials (Domain I) and uncertainty quantification in simulating materials microstructure (Domain II). Initially, we developed a conditional random field (CRF) model based on MatBERT—a domain-specific BERT variant—and evaluated its performance on Domain I. Subsequently, we compared this model with a fine-tuned LLM (GPT-4o from OpenAI) under identical conditions. Our results indicate that fine-tuning LLMs can significantly improve entity extraction performance over the BERT-CRF baseline on Domain I. However, when additional examples from Domain II were incorporated, the performance of the BERT-CRF model became comparable to that of the GPT-4o model. These findings underscore the potential of our schema for structured knowledge extraction and highlight the complementary strengths of both modeling approaches.

Materials science↗
DOE OSTI2024

Protein data bank: From two epidemics to the global pandemic to mRNA vaccines and Paxlovid

Structural biologists and the open-access Protein Data Bank (PDB) played decisive roles in combating the COVID-19 pandemic. Global biostructure data were turned into global knowledge, allowing scientists and engineers to understand the inner workings of coronaviruses and develop effective countermeasures. Two mRNA vaccines, initially designed with guidance from PDB structures of the SARS-CoV-1 and MERS-CoV spike proteins, prevented infections entirely or reduced the likelihood of morbidity and mortality for more than five billion individual recipients worldwide. Structure-guided drug discovery by Pfizer, Inc (facilitated by PDB structures), initiated in the 2000s in response to SARS-CoV-1 and resumed in 2020, yielded nirmatrelvir (the active ingredient of Paxlovid) -- a potent, orally-bioavailable inhibitor of the SARS-CoV-2 main protease. You've got to love the Protein Data Bank!

Burley, Stephen K.↗
DOE OSTI2022

The SPAN512 mid-latitude pulsar survey at the Nançay Radio Telescope

The large number of ongoing surveys for pulsars and transients at various radio observatories is motivated by the science obtained from these sources. Timing and polarisation analysis of relativistic binaries can place strong constraints on theories of gravity. The observation of a growing number of millisecond pulsars (MSPs) spread over the celestial sphere may allow the detection of a stochastic gravitational wave background arising from supermassive black hole binaries. A more complete sample of young pulsars improves our knowledge of neutron star birth and evolution. Transients such as fast radio bursts can serve to probe the intergalactic medium. The SPAN512 pulsar survey covers intermediate Galactic latitudes using the L-band receiver of the Nançay Radio Telescope (NRT). The survey covers 224 sq. deg. of the sky for a total exposure time of 2200 h. Population syntheses predict the discovery of 3 to 19 new normal pulsars and a few MSPs. We present detailed modelling of the NRT beam with its L-band receiver and its sensitivity which we used to precisely assess the expected survey yield. We used the flexible Pulsar Arecibo L-band Feed Array data processing pipeline to search the 47 TB of SPAN512 data for pulsars and transients. The SPAN512 survey discovered two new MSPs and one new middle-aged pulsar. We focus on the analysis of the 2.4-ms spin period pulsar J2205+6012 for which we also report the detection of gamma-ray pulsations. Its narrow pulse width (35µs at an observing frequency of 2.55 GHz) allows for sub-microsecond timing precision over 8 yr, with exciting prospects for pulsar timing array programs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A field guide to cultivating computational biology

Evolving in sync with the computation revolution over the past 30 years, computational biology has emerged as a mature scientific field. While the field has made major contributions toward improving scientific knowledge and human health, individual computational biology practitioners at various institutions often languish in career development. As optimistic biologists passionate about the future of our field, we propose solutions for both eager and reluctant individual scientists, institutions, publishers, funding agencies, and educators to fully embrace computational biology. We believe that in order to pave the way for the next generation of discoveries, we need to improve recognition for computational biologists and better align pathways of career success with pathways of scientific progress. With 10 outlined steps, we call on all adjacent fields to move away from the traditional individual, single-discipline investigator research model and embrace multidisciplinary, data-driven, team science.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Learning from learning machines: improving the predictive power of energy-water-land nexus models with insights from complex measured and simulated data

Focal Area(s): Insights gleaned from complex data (observed and simulated) using AI; Predictive modeling through the use of AI techniques and AI-derived model components, including physics- and knowledge-informed models; Energy-water-land nexus and integrated energy systems – models of MultiSector dynamics. Science Challenge: Scientific communities are in need of tools for the computational integration of physics-based models, experimental data, and empirical/observational studies across a broad range of temporal and spatial scales to explore and meet EESSD grand challenges. We require AI algorithms for the discovery of process-drivers in the Earth-energy-human system and to link them with complex measured and simulated data. We aim to understand the energy-water-land nexus, particularly under extreme forcing scenarios and rare events, leveraging scale-aware AI process models, including probabilistic uncertainties, and benefiting from the emerging 5G-enabled landscape-scale sensing and edge computing capabilities. These models are needed to identify instabilities and tipping points that manifest extreme system behaviors with consequences for integrated energy systems and the environment. This work requires fundamental advances in uncertainty quantification, in particular, to identify and model unlikely but catastrophic outliers. Specifically, we need models that are interpretable to domain scientists and, essentially, explainable to public and private stake holders.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Grid resolution and solution convergence for Mars Pathfinder forebody

As part of the Discovery Program, NASA Plans to launch a series of probes to Mars. The Mars Pathfinder project is the first of this series with a scheduled Mars arrival in July 1997. The entry vehicle will perform a direct entry into the atmosphere and deliver a lander to the surface. Predicting the entry vehicle's flight performance and designing the forebody heatshield requires knowledge of the expected aerothermodynamic environment. Much of this knowledge can be obtained through computational fluid dynamic (CFD) analysis.

Nettelhorst, Heather L.↗
NASA NTRS2000

Colloidal Gelation-2 and Colloidal Disorder-Order Transition-2 Investigations Conducted on STS-95

The Colloidal Gelation-2 (CGEL 2) and Colloidal Disorder-Order Transition-2 (CDOT 2) investigations flew on Space Shuttle Discovery mission STS-95 (also known as the John Glenn Mission). These investigations were part of a series of colloid experiments designed to help scientists answer fundamental science questions and reduce the trial and error involved in developing new and better materials. Industries dealing with semiconductors, electro-optics, ceramics, and composites are just a few that may benefit from this knowledge. The goal of the CGEL 2 investigation was to study the fundamental properties of colloids to help scientists better understand their nature and make them more useful for technology. Colloids consist of very small (submicron) particles suspended in a fluid. They play a critical role in the technology of this country, finding uses in materials ranging from paints and coatings to drugs, cosmetics, food, and drink. Although these products are routinely produced and used, there are still many aspects of their behavior about which scientists know little. Understanding their structures may allow scientists to manipulate the physical properties of colloids (a process called "colloidal engineering") to produce new materials and products. Colloid research may even improve the processing of known products to enhance their desirable properties.

Hoffmann, Monica T.↗
DOE OSTI2020

History of gradient advances in SRF

Radio frequency (RF) superconductivity has become a key technology for many modern particle accelerators. One of its most salient features of this technology is the ability of superconducting RF cavities to deliver high accelerating gradients in continuous-wave and long-pulse modes of operation. However, reaching the current state of the technology was not an easy fit. Over many years scientists and engineers had to overcome several serous performance limitations. In this paper, I attempt to the best of my knowledge to trace the history of accelerating gradients evolution in the field of superconducting radio frequency. I will restrict the scope to primary innovations along with some of the ensuing developments in developing cavities made of bulk niobium. But I will not cover all the many applications and findings over the subsequent decades of progress that were based on the primary discoveries and inventions. I will also not cover a number of other important topics in the history of cavity developments, such as the drive for higher Q values, or the push for lower cavity costs via Nb/Cu cavities or large grain Nb cavities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Thin film combinatorial sputtering of TaTiHfZr refractory compositionally complex alloys for rapid materials discovery

Many applications from advanced nuclear reactors to aerospace and automotive industries require materials to operate in extreme environments. In search of new materials that can operate in these extremes, the present work explores this space whereby: (1) guided by atomistic and thermodynamic calculations we utilize thin film combinatorial synthesis to rapidly explore mechanical and thermal properties in a broad range of refractory compositionally complex alloys, and (2) observe transformation induced plasticity via oscillations in the thin film nanoindentation load depth curves that are attributed to, (3) a stress-induced HCP-to-BCC phase transformation in the resulting nanogranular microstructure, which to our knowledge has not been observed before in this alloy system; and finally (4) scale to bulk materials to compare the thin film results.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chemically distinct regions of Venus’s atmosphere revealed by measured N 2 concentrations

A defining characteristic of the planet Venus is its thick, CO 2 -dominated atmosphere. Despite over 50 years of robotic exploration of Venus, including thirteen successful atmospheric probes and landers, our knowledge of N 2 , the second most abundant compound in the atmosphere, is highly uncertain. We report the first measurement of the nitrogen content of Venus’s atmosphere at altitudes between 60 and 100 km. Our result, 5.0 ± 0.4 v% N 2 , is 40% higher than the value of 3.5 v% N 2 reported for the lower atmosphere (<50 km altitude). Our discovery of altitude-dependent variations in the N 2 content of the atmosphere defies early expectations of homogeneous composition below 100 km (for example, see ref. 1), and necessitates complete chemical modelling to investigate chemical versus physical explanations for the enhanced N 2 in the upper atmosphere. Furthermore, the existence of chemically distinct lower and upper atmosphere regions complicates the use of remote sensing measurements of the upper atmosphere to infer the properties of the lower atmosphere and surface, an important lesson that also extends to the growing field of exoplanet astronomy.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

A Workflow-based Intelligent Network Data Movement Advisor with End-to-end Performance Optimization

Next-generation eScience applications often generate large amounts of simulation, experimental, or observational data that must be shared and managed by collaborative organizations. Advanced networking technologies and services have been rapidly developed and deployed to facilitate such massive data transfer. However, these technologies and services have not been fully utilized mainly because their use typically requires significant domain knowledge and in many cases application users are even not aware of their existence. By leveraging the functionalities of an existing Network-Aware Data Movement Advisor (NADMA) utility, we propose a new Workflow-based Intelligent Network Data Movement Advisor (WINDMA) with end-to-end performance optimization for this DOE funded project. This WINDMA system integrates three major components: resource discovery, data movement, and status monitoring, and supports the sharing of common data movement workflows through account and database management. This system provides a web interface and interacts with existing data/space management and discovery services such as Storage Resource Management, transport methods such as GridFTP and GlobusOnline, and network resource provisioning brokers such as ION and OSCARS. We demonstrate the efficacy of the proposed transport-support workflow system in several use cases based on its implementation and deployment in DOE wide-area networks.

97 MATHEMATICS AND COMPUTING↗