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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions

GronOR is a program package for nonorthogonal configuration interaction calculations. Electronic wave functions are constructed in terms of antisymmetrized products of multiconfiguration molecular fragment wave functions. The computational complexity of the nonorthogonal methodologies implemented in GronOR applied to large molecular assemblies requires a design that takes full advantage of massively parallel supercomputer architectures and accelerator technologies. This work describes the implementation strategy and resulting performance characteristics. In addition to parallelization and acceleration, the software development strategy includes aspects of fault resiliency and heterogeneous computing. The program was designed for large-scale supercomputers but also runs effectively on small clusters and workstations for small molecular systems. GronOR is available as open source to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

The Polarimeter for Relativistic Astrophysical X-ray Sources

The Polarimeter for Relativistic Astrophysical X-ray Sources (PRAXyS) is one of three Small Explorer (SMEX) missions selected by NASA for Phase A study, with a launch date in 2020. The PRAXyS Observatory exploits grazing incidence X-ray mirrors and Time Projection Chamber Polarimeters capable of measuring the linear polarization of cosmic X-ray sources in the 2-10 keV band. PRAXyS combines well-characterized instruments with spacecraft rotation to ensure low systematic errors. The PRAXyS payload is developed at the Goddard Space Flight Center with the Johns Hopkins University Applied Physics Laboratory, University of Iowa, and RIKEN (JAXA) collaborating on the Polarimeter Assembly. The LEOStar-2 spacecraft bus is developed by Orbital ATK, which also supplies the extendable optical bench that enables the Observatory to be compatible with a Pegasus class launch vehicle. A nine month primary mission will provide sensitive observations of multiple black hole and neutron star sources, where theory predicts polarization is a strong diagnostic, as well as exploratory observations of other high energy sources. The primary mission data will be released to the community rapidly and a Guest Observer extended mission will be vigorously proposed.

Small Explorer↗
NASA NTRS2016

A Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) for the Surface of Mars: An Instrument for the Planetary Science Community

The Miniaturized Variable Pressure Scanning Electron Microscope(MVP-SEM) project, funded by the NASA Planetary Instrument Concepts for the Advancement of Solar System Observations (PICASSO) Research Opportunities in Space and Earth Science (ROSES), will build upon previous miniaturized SEM designs for lunar and International Space Station (ISS) applications and recent advancements in variable pressure SEM's to design and build a SEM to complete analyses of samples on the surface of Mars using the atmosphere as an imaging medium. By the end of the PICASSO work, a prototype of the primary proof-of-concept components (i.e., the electron gun, focusing optics and scanning system)will be assembled and preliminary testing in a Mars analog chamber at the Jet Propulsion Laboratory will be completed to partially fulfill Technology Readiness Level to 5 requirements for those components. The team plans to have Secondary Electron Imaging(SEI), Backscattered Electron (BSE) detection, and Energy Dispersive Spectroscopy (EDS) capabilities through the MVP-SEM.

Mars↗
DOE OSTI2024

Coassembly and binning of a twenty-year metagenomic time-series from Lake Mendota

Abstract The North Temperate Lakes Long-Term Ecological Research (NTL-LTER) program has been extensively used to improve understanding of how aquatic ecosystems respond to environmental stressors, climate fluctuations, and human activities. Here, we report on the metagenomes of samples collected between 2000 and 2019 from Lake Mendota, a freshwater eutrophic lake within the NTL-LTER site. We utilized the distributed metagenome assembler MetaHipMer to coassemble over 10 terabases (Tbp) of data from 471 individual Illumina-sequenced metagenomes. A total of 95,523,664 contigs were assembled and binned to generate 1,894 non-redundant metagenome-assembled genomes (MAGs) with ≥50% completeness and ≤10% contamination. Phylogenomic analysis revealed that the MAGs were nearly exclusively bacterial, dominated by Pseudomonadota (Proteobacteria, N = 623) and Bacteroidota (N = 321). Nine eukaryotic MAGs were identified by eukCC with six assigned to the phylum Chlorophyta. Additionally, 6,350 high-quality viral sequences were identified by geNomad with the majority classified in the phylum Uroviricota. This expansive coassembled metagenomic dataset provides an unprecedented foundation to advance understanding of microbial communities in freshwater ecosystems and explore temporal ecosystem dynamics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Reactome and the Gene Ontology: digital convergence of data resources

Abstract Motivation Gene Ontology Causal Activity Models (GO-CAMs) assemble individual associations of gene products with cellular components, molecular functions and biological processes into causally linked activity flow models. Pathway databases such as the Reactome Knowledgebase create detailed molecular process descriptions of reactions and assemble them, based on sharing of entities between individual reactions into pathway descriptions. Results To convert the rich content of Reactome into GO-CAMs, we have developed a software tool, Pathways2GO, to convert the entire set of normal human Reactome pathways into GO-CAMs. This conversion yields standard GO annotations from Reactome content and supports enhanced quality control for both Reactome and GO, yielding a nearly seamless conversion between these two resources for the bioinformatics community. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Soil Origin and Plant Genotype Modulate Switchgrass Aboveground Productivity and Root Microbiome Assembly

Switchgrass (Panicum virgatum) is a model perennial grass for bioenergy production that can be productive in agricultural lands that are not suitable for food production. There is growing interest in whether its associated microbiome may be adaptive in low- or no-input cultivation systems. However, the relative impact of plant genotype and soil factors on plant microbiome and biomass are a challenge to decouple. To address this, a common garden greenhouse experiment was carried out using six common switchgrass genotypes, which were each grown in four different marginal soils collected from long-term bioenergy research sites in Michigan and Wisconsin. We characterized the fungal and bacterial root communities with high-throughput amplicon sequencing of the ITS and 16S rDNA markers, and collected phenological plant traits during plant growth, as well as soil chemical traits. At harvest, we measured the total plant aerial dry biomass. Significant differences in richness and Shannon diversity across soils but not between plant genotypes were found. Generalized linear models showed an interaction between soil and genotype for fungal richness but not for bacterial richness. Community structure was also strongly shaped by soil origin and soil origin × plant genotype interactions. Overall, plant genotype effects were significant but low. Random Forest models indicate that important factors impacting switchgrass biomass included NO 3 – , Ca 2+ , PO 4 3– , and microbial biodiversity. We identified 54 fungal and 52 bacterial predictors of plant aerial biomass, which included several operational taxonomic units belonging to Glomeraceae and Rhizobiaceae, fungal and bacterial lineages that are involved in provisioning nutrients to plants.

plant biomass↗
DOE OSTI2025

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗
DOE OSTI2023

Temperature-Controlled Reversible Formation and Phase Transformation of 3D Nanocrystal Superlattices Through In Situ Small-Angle X-ray Scattering

For decades, the spontaneous organization of nanocrystals into superlattices has captivated the scientific community. However, achieving direct control over the formation of the superlattice and its phase transformations has proven to be a grand challenge, often resulting in the generation of multiple symmetries under the same experimental conditions. Here, we achieve direct control over the formation of the superlattice and its phase transformations by modulating the thermal energy of a nanocrystal dispersion without relying on solvent evaporation. In this study, we follow the temperature-dependent dynamics of the self-assembly process using synchrotron-based small-angle X-ray scattering. When cooled below –24.5 °C, lead sulfide nanocrystals form micrometer-sized three-dimensional phase-pure body-centered cubic superlattices. When cooled below –35.1 °C, these superlattices undergo a collective diffusionless phase transformation that yields denser body-centered tetragonal phases. These structural changes can be reversed by increasing the temperature of the dispersion and may lead to the direct modulation of the optical properties of these artificial solids.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing

Modern quantum chemistry algorithms are increasingly able to accurately predict molecular properties that are useful for chemists in research and education. Despite this progress, performing such calculations is currently unattainable to the wider chemistry community, as they often require domain expertise, computer programming skills, and powerful computer hardware. In this review, we outline methods to eliminate these barriers using cutting-edge technologies. We discuss the ingredients needed to create accessible platforms that can compute quantum chemistry properties in real time, including graphical processing units–accelerated quantum chemistry in the cloud, artificial intelligence–driven natural molecule input methods, and extended reality visualization. We end by highlighting a series of exciting applications that assemble these components to create uniquely interactive platforms for computing and visualizing spectra, 3D structures, molecular orbitals, and many other chemical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

MODIS In-flight Calibration Methodologies

MODIS is a key instrument for the NASA's Earth Observing System (EOS) currently operating on the Terra spacecraft launched in December 1999 and Aqua spacecraft launched in May 2002. It is a cross-track scanning radiometer, making measurements over a wide field of view in 36 spectral bands with wavelengths from 0.41 to 14.5 micrometers and providing calibrated data products for science and research communities in their studies of the Earth s system of land, oceans, and atmosphere. A complete suite of on-board calibrators (OBC) have been designed for the instruments in-flight calibration and characterization, including a solar diffuser (SD) and solar diffuser stability monitor (SDSM) system for the radiometric calibration of the 20 reflective solar bands (RSB), a blackbody (BB) for the radiometric calibration of the 16 thermal emissive bands (TEB), and a spectro-radiometric calibration assembly (SRCA) for the spatial (all bands) and spectral (RSB only) characterization. This paper discusses MODIS in-flight Cali bration methodologies of using its on-board calibrators. Challenging issues and examples of tracking and correcting instrument on-orbit response changes are presented, including SD degradation (20% at 412nm, 12% at 466nm, and 7% at 530nm over four and a half years) and response versus scan angle changes (10%, 4%, and 1% differences between beginning of the scan and end of the scan at 412nm, 466nm, and 530nm) in the VIS spectral region. Current instrument performance and lessons learned are also provided.

Xiong, X.↗
DOE OSTI2020

Ecogenomics reveals community interactions in a long-term methanogenic bioreactor and a rapid switch to sulfate-reducing conditions

This Narrative is part of a collection used in a single publication. The paper took a metagnomic and metatranscriptomic approach to examine a bioreactor's response to the presence of sulfate, which reduces the production of methane, a valuable product, while producing hydrogen sulfide, a corrosive contaminant. This Narrative collection has been created to highlight the types of analyses done for this publication. They are as follows (in order): SJ1 Metagenomes: a metagenomic analysis of sample SJ1, the initial bioreactor. SJ1 Metatranscriptomes: QC-filtered raw RNA reads were aligned to individual MAGs and assembled into transcripts. Metagenome-discovered food webs in a long-term methanogenic bioreactor and rapid switch to sulfate reducing conditions (this Narrative): the public Narrative referenced in the paper, which contains several key MAGs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1998

OARE and SAMS on STS-94/MSL-1

Four microgravity acceleration measurement instruments were included on MSL-1 to measure the accelerations and vibrations to which science experiments were exposed during their operation on the mission. The data were processed and presented to the principal investigators in a variety of formats to aid their assessment of the microgravity environment during their experiment operations. Two accelerometer systems managed by the NASA Lewis Research Center (LeRC) supported the MSL-1 mission: the Orbital Acceleration Research Experiment (OARE), and the Space Acceleration Measurement System (SAMS). In addition, the Microgravity Measurement Assembly (MMA) and the Quasi- Steady Acceleration Measurement (QSAM) system, both sponsored by the Microgravity Research Division, collected acceleration data as a part of the MSL-1 mission. The NIMA was funded and designed by the European Space Agency in the Netherlands (ESA/ESTEC), and the QSAM system was funded and designed by the German Space Agency (DLR). The Principal Investigator Microgravity Services (PIMS) project at the NASA Lewis Research Center (LeRC) supports Principal Investigators (PIs) of the Microgravity science community as they evaluate the effects of acceleration on their experiments. PIMS primary responsibility is to support NASA-sponsored investigators in the area of acceleration data analysis and interpretation. A mission summary report was prepared and published by PIMS in order to furnish interested experiment investigators with a guide for evaluating the acceleration environment during the MSL-1 mission.

Moskowitz, Milton↗
NASA NTRSDate not supplied

Value Proposition, Strategic Framework, and Capability Needs for In-Space Assembly

The Space Science and Technology (S&T) Partnership Forum was established in 2015 to identify synergistic efforts and technologies across the government, with a focus on key pervasive and game-changing technologies across government space agencies in order to more efficiently and effectively manage S&T resources. As principal partners of the interagency S&T Partnership Forum, the U.S. Air Force (USAF), the National Aeronautics and Space Administration (NASA), and the National Reconnaissance Office (NRO) identified and prioritized several S&T collaboration topic areas. Autonomous and semi-autonomous in-space assembly (iSA) is the focus of the topic area that NASA, under the direction of the Office of Chief Technologist, is currently coordinating among the S&T principal partners and affiliate partners, such as the Defense Advanced Research Projects Agency (DARPA) and the U.S. Naval Research Laboratory (NRL). The S&T iSA facilitation and analysis team, led by NASA, collected data from the participating agencies on their current developments, activities, and needs in the area of in-space assembly. This paper provides an overview of the S&T iSA facilitation and analysis team’s efforts in establishing the value proposition and strategic framework for interagency collaboration in iSA within the partnership as a foundation to deliver value and achieve iSA topic objectives across government space agencies. Further, this paper describes the early products of these efforts in the definition of the iSA capabilities, design drivers, and stakeholder goals to facilitate dialogue within the partnership and the larger community.

Phillip A Williams↗
DOE OSTI2024

Self-Assembling Microgrids for Resilient Distribution Systems of the Future: Implementation in a Commercial DERMS Platform

Microgrids have long provided resilience to critical facilities such as hospitals and military installations, and they are now increasingly being looked at as a building block for future grids to support the energy resilience needs of the grid of the future. State-of-the-art technologies, such as blackstart algorithms using renewable distributed energy resources (DERs) to effectively and seamlessly form microgrids, have been produced by national labs over the years. Their adoption by the utility industry would be critical to reap the most benefits toward energy and climate resilience, and the pathway is via commercialization of these self-assembling microgrid algorithms by integrating them in a commercial product platform. This project brings a national labs team (LLNL, LANL) together with a vendor (Smarter Grid Solutions) to perform proof-of-concept integration of the algorithms into the vendor’s commercial Distributed Energy Resources Management System (DERMS). The project provides a strong pathway to commercialization of the algorithms thereby promoting adoption of resilient microgrid technology by utilities to offer resilience benefits to all customers and especially to disadvantaged and underserved communities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

EcoFAB 3.0: a sterile system for studying sorghum that replicates previous field and greenhouse observations

Introduction Studying plant-microbe interactions is one of the key elements in understanding the path to sustainable agricultural practices. These interactions play a crucial role in ensuring survival of healthy plants, soil and microbial communities. Many platforms have been developed over the years to isolate these highly complex interactions however, these are designed for small model plants. This creates a need for complementary devices for larger plants, such as sorghum. Methods This work introduces a novel platform, EcoFAB 3.0, which is designed to enable studying bioenergy plants such as sorghum for up to 4 weeks in a controlled sterile environment. Several other advantages of this platform such as dark root chambers and user-friendly assembly are also discussed in this work. Results and discussion EcoFAB 3.0 was found to replicate previous greenhouse and field observations when comparing an engineered sorghum line overproducing 4-hydroxybenzoic acid (4-HBA) and wildtype (variety BTx430). Consistent with greenhouse and field observations, it was found that the engineered line of sorghum grown in EcoFAB 3.0 had a higher 4-HBA content and a lower dry biomass.

Gupta, Kshitiz↗
NASA NTRS2010

Building on the Past - Looking to the Future: A Focus on Expanding Horizons - Part 2

The history of space endeavors stretches far from Robert Goddard s initial flights and will certainly extend far beyond the construction of the International Space Station. As society grows in knowledge of and familiarity with space, the focus of maintaining the safety of the crews and the habitability of the vehicles will be of the utmost importance to the National Aeronautics and Space Administration (NASA) community. Through the years, Payload Safety has developed not only as a Panel, but also as part of the NASA community, striving to enhance the efficiency and understanding of how business should be conducted as more International Partners become involved. The recent accomplishments of the first docking of the Japan Aerospace Exploration Agency (JAXA) HII Transfer Vehicle (HTV 1) and completion of the Japanese Experiment Module (JEM) or KIBO and the Russian MRM2 to the International Space Station (ISS) mark significant steps for the future of ISS. 2010 will mark the final flights of the Shuttle and the completion of ISS assembly. Future delivery of humans and hardware will rely on the Russian Progress and Soyuz, the Japanese HII Transfer Vehicle (HTV), the European Automated Transfer Vehicle (ATV) and US "Commercial Off-The-Shelf" (COTS) and Constellation vehicles. The International Partners (IPs) will have more capability in delivery as well as responsibility for review of hardware they deliver to assure safe operation. This is the second in a series of papers and presentations in what is hoped to be an annual update that illustrates challenges and lessons learned in the areas of communication (how hazard reports can be misunderstood), safety requirements (transitioning from Shuttle-centric to ISS-centric), and processes (review of hardware by RSC-E and Franchised ESA and JAXA PSRP) which have been vital in conducting the business of the Payload Safety Review Panel (PSRP). This year will focus on the items annotated above.

Guidry, Richard W.↗
DOE OSTI2023

Spatiotemporal Studies of Soluble Inorganic Nanostructures with X‐rays and Neutrons

Abstract This Review addresses the use of X‐ray and neutron scattering as well as X‐ray absorption to describe how inorganic nanostructured materials assemble, evolve, and function in solution. We first provide an overview of techniques and instrumentation (both large user facilities and benchtop). We review recent studies of soluble inorganic nanostructure assembly, covering the disciplines of materials synthesis, processes in nature, nuclear materials, and the widely applicable fundamental processes of hydrophobic interactions and ion pairing. Reviewed studies cover size regimes and length scales ranging from sub‐Ångström (coordination chemistry and ion pairing) to several nanometers (molecular clusters, i.e. polyoxometalates, polyoxocations, and metal‐organic polyhedra), to the mesoscale (supramolecular assembly processes). Reviewed studies predominantly exploit 1) SAXS/WAXS/SANS (small‐ and wide‐angle X‐ray or neutron scattering), 2) PDF (pair‐distribution function analysis of X‐ray total scattering), and 3) XANES and EXAFS (X‐ray absorption near‐edge structure and extended X‐ray absorption fine structure, respectively). While the scattering techniques provide structural information, X‐ray absorption yields the oxidation state in addition to the local coordination. Our goal for this Review is to provide information and inspiration for the inorganic/materials science communities that may benefit from elucidating the role of solution speciation in natural and synthetic processes.

Yin, Jia‐Fu↗
NASA NTRS1994

Undersea applications of dexterous robotics

The revolution and application of dexterous robotics in the undersea energy production industry and how this mature technology has affected planned SSF dexterous robotic tasks are examined. Undersea telerobotics, or Remotely Operated Vehicles (ROV's), have evolved in design and use since the mid-1970s. Originally developed to replace commercial divers for both planned and unplanned tasks, they are now most commonly used to perform planned robotic tasks in all phases of assembly, inspection, and maintenance of undersea structures and installations. To accomplish these tasks, the worksites, the tasks themselves, and the tools are now engineered with both the telerobot's and the diver's capabilities in mind. In many cases, this planning has permitted a reduction in telerobot system complexity and cost. The philosophies and design practices that have resulted in the successful incorporation of telerobotics into the highly competitive and cost conscious offshore production industry have been largely ignored in the space community. Cases where these philosophies have been adopted or may be successfully adopted in the near future are explored.

Gittleman, Mark M.↗