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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lithium thiostannate spinels: air-stable cubic semiconductors.

Lithium chalcogenide materials have been studied less than other alkali metal analogs and are of interest as ion conductors and semiconductors capable of thermal neutron detection. Herein, we describe the structural, thermal, magnetic, electronic, and ionic properties of a new family of cubic lithium thiospinels Li2MSn3S8 (M = Mg, Fe, Mn, Ni, Co) and Li1.66CuSn3.33S8. All compounds crystallize in the Fd (3) over barm space group and exhibit site occupancy disorder with Sn and M on the octahedral site for M = Mg, Fe, Mn, Ni, Co. The Li1.66CuSn3.33S8 compound also exhibits occupancy disorder on the tetrahedral sites between Li and Cu, as well as on the octahedral sites between Li and Sn. We demonstrate the ability to tune the physical properties of the compounds by changing their composition. By tuning the identity of the transition metal in the structure, the optical band gaps can vary between 0.91(2) and 2.19(2) eV, and electrical resistivities between 2.8 x 10(3) Omega-cm and 2.2 x 10(7)Omega-cm can be achieved. Density functional theory calculations for Li2MgSn3S8 and Li1.66CuSn3.33S8 suggest that both materials have indirect band gaps and significantly dispersive conduction bands. A bandwidth dispersion of 0.75 and 0.70 eV along the Gamma -> M direction in the conduction band are predicted for Li2MgSn3S8 and Li1.66CuSn3.33S8, respectively, with an electron effective mass of 0.49 and 0.55 m(e) at the Gamma point. The hole effective mass in the valence band is calculated to be 1.25 me at the M point and 0.75 me at the L point for Li2MgSn3S8 and Li1.66CuSn3.33S8, respectively. The ionic/electronic conductivity of each compound was determined using AC electrochemical impedance spectroscopy.

Quintero, Michael A.↗
DOE OSTI2019

Molecular Mechanism of Inhibition of Acid Ceramidase by Carmofur

Human acid ceramidase (AC) is a lysosomal cysteine amidase, which has received a great deal of interest in recent years as a potential target for the development of new therapeutics against melanoma and glioblastoma tumors. Despite the strong interest in obtaining structural information, only the structures of the apo-AC enzyme in its zymogen and activated conformations are available. In this work, the crystal structure of AC in complex with the covalent carmofur inhibitor is presented. Carmofur is an antineoplastic drug containing an electrophilic carbonyl reactive group that targets the catalytic cysteine. This novel structural data explains the basis of the AC inhibition, provides insights into the enzymatic properties of the protein, and is a great aid toward the structure-based drug design of potent inhibitors for AC, providing the detailed mechanism, which has eluded the scientific community for more than 30 years, of carmofur's mysterious 5-fluorouracil-independent antitumor activity.

Dementiev, Alexey↗
DOE OSTI2015

Rapid and Efficient Redox Processes within 2D Covalent Organic Framework Thin Films

Two-dimensional covalent organic frameworks (2D COFs) are ideally suited for organizing redox-active subunits into periodic, permanently porous polymer networks of interest for pseudocapacitive energy storage. Currently, we describe a method for synthesizing crystalline, oriented thin films of a redox-active 2D COF on Au working electrodes. The thickness of the COF film was controlled by varying the initial monomer concentration. A large percentage (80–99%) of the anthraquinone groups are electrochemically accessible in films thinner than 200 nm, an order of magnitude improvement over the same COF prepared as a randomly oriented microcrystalline powder. As a result, electrodes functionalized with oriented COF films exhibit a 400% increase in capacitance scaled to electrode area as compared to those functionalized with the randomly oriented COF powder. These findings demonstrate the promise of redox-active COFs for electrical energy storage and highlight the importance of controlling morphology for optimal performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Evaluation of CMIP5 Model Precipitation Using PERSIANN-CDR

Abstract The purpose of this study is to use the PERSIANN–Climate Data Record (PERSIANN-CDR) dataset to evaluate the ability of 32 CMIP5 models in capturing the behavior of daily extreme precipitation estimates globally. The daily long-term historical global PERSIANN-CDR allows for a global investigation of eight precipitation indices that is unattainable with other datasets. Quantitative comparisons against CPC daily gauge; GPCP One-Degree Daily (GPCP1DD); and TRMM 3B42, version 7 (3B42V7), datasets show the credibility of PERSIANN-CDR to be used as the reference data for global evaluation of CMIP5 models. This work uniquely defines different study regions by partitioning global land areas into 25 groups based on continent and climate zone type. Results show that model performance in warm temperate and equatorial regions in capturing daily extreme precipitation behavior is largely mixed in terms of index RMSE and correlation, suggesting that these regions may benefit from weighted model averaging schemes or model selection as opposed to simple model averaging. The three driest climate regions (snow, polar, and arid) exhibit high correlations and low RMSE values when compared against PERSIANN-CDR estimates, with the exceptions of the cold regions showing an inability to capture the 95th and 99th percentile annual total precipitation characteristics. A comprehensive assessment of each model’s performance in each continent–climate zone defined group is provided as a guide for both model developers to target regions and processes that are not yet fully captured in certain climate types, and for climate model output users to be able to select the models and/or the study areas that may best fit their applications of interest.

Nguyen, Phu↗
DOE OSTI2020

Operational and Mission Highlights A Monthly Summary of Top Achievements

In September 2020, the Laboratory’s Chemical Microscopy Facility tripled in size, expanding to 1,000 square feet. Located at TA-46, Building158, this facility houses a unique Laboratory resource. Operated by the Physical Chemistry and Applied Spectroscopy (C-PCS) group, this facility was established to renew the Laboratory’s rich history in radiobiology. The facility combines biological research capabilities with isotope production, as well as radioanalytical and chemical infrastructure. This facility provides space for Biosafety Level 2 (BSL-2) research, with alpha-emitting and other radionuclides of interest associated with biological systems. Equipped with a Class ll/A2 biological safety cabinet, a radiological fume hood and a host of other analytical equipment, this facility serves an effective resource to evaluate the efficacy of targeted alpha therapeutics, as well as the deleterious effects of radiological materials on living organisms. The facility receives funding through LDRD- 20180005DR, “Establishing a Radiotherapeutic Capability to Counter Biothreats,” and the BES Heavy Element Chemistry Program at the Laboratory.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Benchmark Testing on the IBM-Q Network

The goal of this project is to evaluate a proposed set of candidate benchmarks being developed by the Standards and Performance Metrics Technical Advisory Group (TAG) of the Quantum Economic Development Consortium (QED-C), of which LANL is a member. The QED-C Standards and Performance Metrics TAG has developed implementations of several benchmark codes with the hope and expectation that these codes will be helpful to QED-C members interested in investigating various quantum computer platforms. The benchmark set will be run on LANL’s access to the IBM-Q system with the intent to evaluate the set for scalability, correct execution, and coverage of the application space. The goal is for the QED-C Standards and Performance Metrics TAC to be able to produce a coherent, consistent, scalable set of benchmarks that will run on multiple quantum computing platforms and will be available to members of QED-C, including LANL.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1972

Gas-liquid chromatography in lunar organic analysis.

Gas-liquid chromatography (GLC) is a powerful and sensitive method for the separation and detection of organic compounds at nanogram levels. The primary requirement for successful analyses is that the compounds of interest must be volatile under the chromatographic conditions employed. Nonvolatile organic compounds must be converted to volatile derivatives prior to analysis. The derivatives of choice must be both amenable to chromatographic separation and be relatively stable. The condition of volatility necessitates the development of efficient derivatization reactions for important groups of compounds as amino acids, carbohydrates, nucleosides, etc. Trimethylsilylation and trifluoroacetylation represent specific areas of recent prominence. Some relevant practical aspects of GLC are discussed.

Gehrke, C. W.↗
NASA NTRS1977

Comparison of rigorous and simple vibrational models for the CO2 gasdynamic laser

The accuracy of a simple vibrational model for computing the gain in a CO2 gasdynamic laser is assessed by comparing results computed from it with results computed from a rigorous vibrational model. The simple model is that of Anderson et al. (1971), in which the vibrational kinetics are modeled by grouping the nonequilibrium vibrational degrees of freedom into two modes, to each of which there corresponds an equation describing vibrational relaxation. The two models agree fairly well in the computed gain at low temperatures, but the simple model predicts too high a gain at the higher temperatures of current interest. The sources of error contributing to the overestimation given by the simple model are determined by examining the simplified relaxation equations.

Monson, D. J.↗
NASA NTRS2002

Annotated Bibliography of Enabling Technologies for the Small Aircraft Transportation System

The following collection of research summaries are submitted as fulfillment of a request from NASA LaRC to conduct research into existing enabling technologies that support the development of the Small Aircraft Transportation System aircraft and accompanying airspace management infrastructure. Due to time and fiscal constraints, the included studies focus primarily on visual systems and architecture, flight control design, instrumentation and display, flight deck design considerations, Human-Machine Interface issues, and supporting augmentation technologies and software. This collation of summaries is divided in sections in an attempt to group similar technologies and systems. However, the reader is advised that many of these studies involve multiple technologies and systems that span across many categories. Because of this fact, studies are not easily categorized into single sections. In an attempt to help the reader more easily identify topics of interest, a SATS application description is provided for each summary. In addition, a list of acronyms provided at the front of the report to aid the reader.

ONeil, Patrick D.↗
NASA NTRS2004

Lunar Receiving Laboratory Project History

As early as 1959, the Working Group on Lunar Exploration within NASA advocated that 'one of the prime objectives of the first lunar landing mission should be the collection of samples for return to Earth, where they could be subjected to detailed study and analysis.' Within NASA, neither this group nor any other scientists working with the Agency were concerned about back contamination issues. Outside of NASA, back contamination concerns had been raised as early as 1960. Although NASA did not seem to pay any attention to the concerns at that time, the scientific community continued to be interested in the topic. In 1962 and again in 1963, as the Apollo Program loomed large, further discussions were held. These early discussions of back contamination did not make their way into NASA's administration, however, and when Manned Spacecraft Center personnel began to articulate early concepts for the Lunar Receiving Laboratory (LRL), the back contamination issue was not considered. Once this concern became a major focus, however, the LRL's development became increasingly complex. This is the history of that development.

Mangus, Susan↗
NASA NTRS2007

Proceedings of the 2006 Civil Commercial Imagery Evaluation Workshop

The Joint Agency Commercial Imagery Evaluation (JACIE) team is a collaborative interagency working group formed to leverage different government agencies' capabilities for the characterization of commercial remote sensing products. The team is composed of staff from the National Aeronautics and Space Administration (NASA), the National Geospatial-Intelligence Agency (NGA), and the U.S. Geological Survey (USGS). Each JACIE agency has a vested interest in the purchase and use of commercial imagery to support government research and operational applications. The intent of the 2006 workshop is to exchange information regarding the characterization and application of commercial imagery used by the government. The main focus of previous workshops has been on high-resolution satellite imagery from systems; such as, IKONOS (Space Imaging, Inc.), QuickBird (DigitalGlobe, Inc.), and OrbView-3 (ORBIMAGE). This workshop is being expanded to cover all civil medium- and high-resolution commercial imagery used by the government.

Stanley, Thomas↗
NASA NTRS2014

Humic Acid Complexation of Th, Hf and Zr in Ligand Competition Experiments: Metal Loading and Ph Effects

The mobility of metals in soils and subsurface aquifers is strongly affected by sorption and complexation with dissolved organic matter, oxyhydroxides, clay minerals, and inorganic ligands. Humic substances (HS) are organic macromolecules with functional groups that have a strong affinity for binding metals, such as actinides. Thorium, often studied as an analog for tetravalent actinides, has also been shown to strongly associate with dissolved and colloidal HS in natural waters. The effects of HS on the mobilization dynamics of actinides are of particular interest in risk assessment of nuclear waste repositories. Here, we present conditional equilibrium binding constants (Kc, MHA) of thorium, hafnium, and zirconium-humic acid complexes from ligand competition experiments using capillary electrophoresis coupled with ICP-MS (CE- ICP-MS). Equilibrium dialysis ligand exchange (EDLE) experiments using size exclusion via a 1000 Damembrane were also performed to validate the CE-ICP-MS analysis. Experiments were performed at pH 3.5-7 with solutions containing one tetravalent metal (Th, Hf, or Zr), Elliot soil humic acid (EHA) or Pahokee peat humic acid (PHA), and EDTA. CE-ICP-MS and EDLE experiments yielded nearly identical binding constants for the metal- humic acid complexes, indicating that both methods are appropriate for examining metal speciation at conditions lower than neutral pH. We find that tetravalent metals form strong complexes with humic acids, with Kc, MHA several orders of magnitude above REE-humic complexes. Experiments were conducted at a range of dissolved HA concentrations to examine the effect of [HA]/[Th] molar ratio on Kc, MHA. At low metal loading conditions (i.e. elevated [HA]/[Th] ratios) the ThHA binding constant reached values that were not affected by the relative abundance of humic acid and thorium. The importance of [HA]/[Th] molar ratios on constraining the equilibrium of MHA complexation is apparent when our estimated Kc, MHA values attained at very low metal loading conditions are compared to existing literature data. Overall, experimental data suggest that the tetravalent transition metal/-actinide-humic acid complexation is important over a wide range of pH values, including mildly acidic conditions, and thus, these complexes should be included in speciation models.

humic acid↗
NASA NTRS2016

Update on the activities of the GGOS Bureau of Networks and Observations

The recently reorganized GGOS Bureau of Networks and Observations has many elements that are associated with building and sustaining the infrastructure that supports the Global Geodetic Observing System (GGOS) through the development and maintenance of the International Terrestrial and Celestial Reference Frames, improved gravity field models and their incorporation into the reference frame, the production of precision orbits for missions of interest to GGOS, and many other applications. The affiliated Service Networks (IVS, ILRS, IGS, IDS, and now the IGFS and the PSMSL) continue to grow geographically and to improve core and co-location site performance with newer technologies. Efforts are underway to expand GGOS participation and outreach. Several groups are undertaking initiatives and seeking partnerships to update existing sites and expand the networks in geographic areas void of coverage. New satellites are being launched by the Space Agencies in disciplines relevant to GGOS. Working groups now constitute an integral part of the Bureau, providing key service to GGOS. Their activities include: projecting future network capability and examining trade-off options for station deployment and technology upgrades, developing metadata collection and online availability strategies; improving coordination and information exchange with the missions for better ground-based network response and space-segment adequacy for the realization of GGOS goals; and standardizing site-tie measurement, archiving, and analysis procedures. This poster will present the progress in the Bureau's activities and its efforts to expand the networks and make them more effective in supporting GGOS.

Networks↗
NASA NTRS2017

Online Visualization and Value Added Services of MERRA-2 Data at GES DISC

NASA climate reanalysis datasets from MERRA-2, distributed at the Goddard Earth Sciences Data and Information Services Center (GES DISC), have been used in broad research areas, such as climate variations, extreme weather, agriculture, renewable energy, and air quality, etc. The datasets contain numerous variables for atmosphere, land, and ocean, grouped into 95 products. The total archived volume is approximately 337 TB ( approximately 562K files) at the end of October 2017. Due to the large number of products and files, and large data volumes, it may be a challenge for a user to find and download the data of interest. The support team at GES DISC, working closely with the MERRA-2 science team, has created and is continuing to work on value added data services to best meet the needs of a broad user community. This presentation, using aerosol over Asia Monsoon as an example, provides an overview of the MERRA-2 data services at GES DISC, including: How to find the data? How many data access methods are provided? What are the best data access methods for me? How do download the subsetted (parameter, spatial, temporal) data and save in preferred spatial resolution and data format? How to visualize and explore the data online? In addition, we introduce a future online analytic tool designed for supporting application research, focusing on long-term hourly time-series data access and analysis.

Shen, Suhung↗
NASA NTRSDate not supplied

Investigations of an Aeroelastic Optimization Benchmark Problem with MPhys and FUN3D

High-fidelity aeroelastic optimization capabilities are becoming more common in recent years. In this field, researchers typically present results on the design problems of greatest interest to them. The lack of consistency with respect to baseline configurations, design variables, objectives and constraints, etc., makes it difficult to compare approaches and creates an obstacle for the community to work together to advance the state of the art. The High-Fidelity Aeroelastic Optimization Benchmark Working Group has been established to create and study a series of benchmark aeroelastic optimization problems that the community can utilize to compare methods on the same optimization problem. This paper presents optimization results from NASA Langley Research Center for the first benchmark case of this series with analysis based on MPhys, a multiphysics library for OpenMDAO, and FUN3D, an unstructured computational fluid dynamics suite of tools. For the optimization case presented, it is demonstrated that a progression of increasing aerodynamic model fidelity reduces the wall time required to complete the optimization.

Aeroelasticity↗
NASA NTRSDate not supplied

Investigations of an Aeroelastic Optimization Benchmark Problem with MPhys and FUN3D

High-fidelity aeroelastic optimization capabilities are becoming more common in recent years. In this field, researchers typically present results on the design problems of greatest interest to them. The lack of consistency with respect to baseline configurations, design variables, objectives and constraints, etc., makes it difficult to compare approaches and creates an obstacle for the community to work together to advance the state of the art. The High-Fidelity Aeroelastic Optimization Benchmark Working Group has been established to create and study a series of benchmark aeroelastic optimization problems that the community can utilize to compare methods on the same optimization problem. This paper presents optimization results from NASA Langley Research Center for the first benchmark case of this series with analysis based on MPhys, a multiphysics library for OpenMDAO, and FUN3D, an unstructured computational fluid dynamics suite of tools. For the optimization case presented, it is demonstrated that a progression of increasing aerodynamic model fidelity reduces the wall time required to complete the optimization.

CFD↗
DOE OSTI2015

Workshop on Energy Research for Physics Graduate Students and Postdocs

One-day workshop for a small group of graduate students and post-docs to hear talks and interact with experts in a variety of areas of energy research. The purpose is to provide an opportunity for young physicists to learn about cutting-edge research in which they might find a career utilizing their interest and background in physics.

Cole, Ken↗
DOE OSTI2025

Domestic and International Consensus Standards for Nuclear Criticality Safety - Overview & Status

The domestic and international consensus standards for nuclear criticality safety (NCS) were developed based on the lessons-learned from process criticality accidents. These consensus standards were developed to reduce the rate of process criticality accidents in facilities that process, store, handle, or transport fissionable materials by hand. After a significant increase in criticality accidents through the mid-1960s, the rate of criticality accidents decreased as a result of these standards, and the criticality accident rate is extremely low from an industrial safety perspective. The last known criticality accident inside the United States was in 1978 (nearly 47 years ago) at the Idaho Chemical Processing Plant, and outside the United States, an accident occurred at Tokai-mura, Japan, in 1999 (almost 26 years ago). The domestic consensus standards for NCS include the American National Standards (ANS) that are prepared and published by the American Nuclear Society and approved by the American National Standards Institute (ANSI). The ANS Standards Board, the NCS Consensus Committee, and the ANS-8 Subcommittee oversee the development and maintenance of these standards. There are currently 18 standards in the ANS-8 series. Nine ANS-8 standards are either in revision mode or planned for revision. A new standard for the use of nondestructive assay measurements (ANSI/ANS-8.28-2024) for NCS was approved in March of 2024. The international consensus standards for NCS calculations, procedures, and practices are maintained and developed within the International Organization for Standardization, Technical Committee 85 “Nuclear Energy,” Subcommittee 5, “Nuclear Fuel Technology,” and Working Group 8, “Nuclear Criticality Safety.” Eleven standards are currently available, four standards are proposed for revision, and four standards are at various stages of development. This paper provides the NCS community with a high-level overview and status report of domestic and international NCS consensus standards to stimulate interest and to support their continued development.

Bowen, Douglas G [ORNL] (ORCID:0000000212460026)↗