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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Testing of the Defense Waste Processing Facility Cold Chemical Dissolution Method in Sludge Batch 10 Qualification

For each sludge batch that is processed in the Defense Waste Processing Facility (DWPF), the Savannah River National Laboratory (SRNL) tests the applicability of the digestion methods used by the DWPF Laboratory for elemental analysis of Sludge Receipt and Adjustment Tank (SRAT) Receipt samples and SRAT Product process control samples. DWPF SRAT samples are typically dissolved using a method referred to as the DWPF Cold Chemical or Cold Chem Method (CC), (see DWPF Procedure SW4-15.201- 2.1).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Materials Data on PrCoC2 by Materials Project

PrCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight C+2.50- atoms. There are a spread of Pr–C bond distances ranging from 2.75–2.78 Å. Co2+ is bonded in a 4-coordinate geometry to four C+2.50- atoms. There are a spread of Co–C bond distances ranging from 1.95–2.01 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Pr3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å. In the second C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Pr3+, two equivalent Co2+, and one C+2.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCoC2 by Materials Project

NdCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight C+2.50- atoms. There are a spread of Nd–C bond distances ranging from 2.72–2.77 Å. Co2+ is bonded in a 4-coordinate geometry to four C+2.50- atoms. There are a spread of Co–C bond distances ranging from 1.94–2.01 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Nd3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å. In the second C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Nd3+, two equivalent Co2+, and one C+2.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCoC2 by Materials Project

SmCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight C+2.50- atoms. There are a spread of Sm–C bond distances ranging from 2.68–2.74 Å. Co2+ is bonded in a 4-coordinate geometry to four C+2.50- atoms. There are a spread of Co–C bond distances ranging from 1.92–1.99 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å. In the second C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent Sm3+, two equivalent Co2+, and one C+2.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCoC2 by Materials Project

LaCoC2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight C+2.50- atoms. There are a spread of La–C bond distances ranging from 2.76–2.81 Å. Co2+ is bonded in a 4-coordinate geometry to four C+2.50- atoms. There is one shorter (1.95 Å) and three longer (2.02 Å) Co–C bond length. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent La3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.37 Å. In the second C+2.50- site, C+2.50- is bonded in a 7-coordinate geometry to four equivalent La3+, two equivalent Co2+, and one C+2.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Opportunities for enhancing MLCommons efforts while leveraging insights from educational MLCommons earthquake benchmarks efforts

MLCommons is an effort to develop and improve the artificial intelligence (AI) ecosystem through benchmarks, public data sets, and research. It consists of members from start-ups, leading companies, academics, and non-profits from around the world. The goal is to make machine learning better for everyone. In order to increase participation by others, educational institutions provide valuable opportunities for engagement. In this article, we identify numerous insights obtained from different viewpoints as part of efforts to utilize high-performance computing (HPC) big data systems in existing education while developing and conducting science benchmarks for earthquake prediction. As this activity was conducted across multiple educational efforts, we project if and how it is possible to make such efforts available on a wider scale. This includes the integration of sophisticated benchmarks into courses and research activities at universities, exposing the students and researchers to topics that are otherwise typically not sufficiently covered in current course curricula as we witnessed from our practical experience across multiple organizations. As such, we have outlined the many lessons we learned throughout these efforts, culminating in the need for benchmark carpentry for scientists using advanced computational resources. The article also presents the analysis of an earthquake prediction code benchmark while focusing on the accuracy of the results and not only on the runtime; notedly, this benchmark was created as a result of our lessons learned. Energy traces were produced throughout these benchmarks, which are vital to analyzing the power expenditure within HPC environments. Additionally, one of the insights is that in the short time of the project with limited student availability, the activity was only possible by utilizing a benchmark runtime pipeline while developing and using software to generate jobs from the permutation of hyperparameters automatically. It integrates a templated job management framework for executing tasks and experiments based on hyperparameters while leveraging hybrid compute resources available at different institutions. The software is part of a collection called cloudmesh with its newly developed components, cloudmesh-ee (experiment executor) and cloudmesh-cc (compute coordinator).

58 GEOSCIENCES↗
NASA NTRS1999

System Analyses of Pneumatic Technology for High Speed Civil Transport Aircraft

The primary aspiration of this study was to objectively assess the feasibility of the application of a low speed pneumatic technology, in particular Circulation Control (CC) to an HSCT concept. Circulation Control has been chosen as an enabling technology to be applied on a generic High Speed Civil Transport (HSCT). This technology has been proven for various subsonic vehicles including flight tests on a Navy A-6 and computational application on a Boeing 737. Yet, CC has not been widely accepted for general commercial fixed-wing use but its potential has been extensively investigated for decades in wind tunnels across the globe for application to rotorcraft. More recently, an experimental investigation was performed at Georgia Tech Research Institute (GTRI) with application to an HSCT-type configuration. The data from those experiments was to be applied to a full-scale vehicle to assess the impact from a system level point of view. Hence, this study attempted to quantitatively assess the impact of this technology to an HSCT. The study objective was achieved in three primary steps: 1) Defining the need for CC technology; 2) Wind tunnel data reduction; 3) Detailed takeoff/landing performance assessment. Defining the need for the CC technology application to an HSCT encompassed a preliminary system level analysis. This was accomplished through the utilization of recent developments in modern aircraft design theory at Aerospace Systems Design Laboratory (ASDL). These developments include the creation of techniques and methods needed for the identification of technical feasibility show stoppers. These techniques and methods allow the designer to rapidly assess a design space and disciplinary metric enhancements to enlarge or improve the design space. The takeoff and landing field lengths were identified as the concept "show-stoppers". Once the need for CC was established, the actual application of data and trends was assessed. This assessment entailed a reduction of the wind tunnel data from the experiments performed by Mr. Bob Englar at the GTRI. Relevant data was identified and manipulated based on the required format of the analysis tools utilized. Propulsive, aerodynamic, duct sizing, and vehicle sizing investigations were performed and information supplied to a detailed takeoff and landing tool, From the assessments, CC was shown to improve the low speed performance metrics, which were previously not satisfied. An HSCT with CC augmentation does show potential for full-scale application. Yet, an economic assessment of an HSCT with and without CC showed that a moderate penalty was incurred from the increased RDT&E costs associated with developing the CC technology and slight increases in empty weight.

Mavris, Dimitri N.↗
DOE OSTI2020

The Non-carbonaceous–Carbonaceous Meteorite Dichotomy

The isotopic dichotomy between non-carbonaceous (NC) and carbonaceous (CC) meteorites indicates that meteorite parent bodies derive from two genetically distinct reservoirs, which presumably were located inside (NC) and outside (CC) the orbit of Jupiter and remained isolated from each other for the first few million years of the solar system. Here we review the discovery of the NC–CC dichotomy and its implications for understanding the early history of the solar system, including the formation of Jupiter, the dynamics of terrestrial planet formation, and the origin and nature of Earth’s building blocks. The isotopic difference between the NC and CC reservoirs is probably inherited from the solar system’s parental molecular cloud and has been maintained through the rapid formation of Jupiter that prevented significant exchange of material from inside (NC) and outside (CC) its orbit. The growth and/or migration of Jupiter resulted in inward scattering of CC bodies, which accounts for the co-occurrence of NC and CC bodies in the present-day asteroid belt and the delivery of presumably volatile-rich CC bodies to the growing terrestrial planets. Earth’s primitive mantle, at least for siderophile elements like Mo, has a mixed NC–CC composition, indicating that Earth accreted CC bodies during the final stages of its growth, perhaps through the Moon-forming giant impactor. The late-stage accretion of CC bodies to Earth is sufficient to account for the entire budget of Earth’s water and highly volatile species.

58 GEOSCIENCES↗
DOE OSTI2022

Toward a resolution of the NN controversy

Lattice QCD calculations of two-nucleon interactions have been underway for about a decade, but still haven't reached the pion mass regime necessary for matching onto effective field theories and extrapolating to the physical point. Furthermore, results from different methods, including the use of the Lüscher formalism with different types of operators, as well as the HALQCD potential method, do not agree even qualitatively at very heavy pion mass. We investigate the role that different operators employed in the literature may play on the extraction of spectra for use within the Lüscher method. We first explore expectations from Effective Field Theory solved within a finite volume, for which the exact spectrum may be computed given different physical scenarios. We then present preliminary lattice QCD results for two-nucleon spectra calculated using different operators on a common lattice ensemble.

Nicholson, A↗
NASA NTRS1971

Investigation of the feasibility of developing low permeability polymeric films

The feasibility of reducing the gas permeability rate of Mylar and Kapton films without drastically effecting their flexibility characteristics at cryogenic temperatures was considered. This feasibility was established using a concept of diffusion bonding two layers of metallized films together forming a film-metal-film sandwich laminate. The permeability of kapton film to gaseous helium was reduced from a nominal ten = to the minus 9 power cc-mm/sq cm sec. cm Hg to ten to the minus 13 power cc-mm/ sq cm - sec. cm Hg with some values as low as ten to the minus 15 power cc - mm/sq cm m-sec - cm Hg being obtained. Similar reductions occurred in the liquid hydrogen permeability at -252 C. In the course of the program the permeability, flexibility and bond strength of plain, metalized and diffusion bond film were determined at +25 C, -195 C and -252 C. The cryogenic flexibility of Kapton film was reduced slightly due to the metallization process but no additional loss in flexibility resulted from the diffusion bonding process.

Hoggatt, J. T.↗
NASA NTRS1980

Two-phase working fluids for the temperature range of 50 to 350 deg, phase 2

Several two phase heat transfer fluids were tested in aluminum and carbon steel reflux capsules for over 25,000 hours at temperatures up to 300 C. Several fluids showed very good stability and would be useful for long duration heat transfer applications over the range 100 to 350 C. Instrumentation for the measurement of surface tension and viscosity were constructed for use with heat transfer fluids over the temperature range 0 to 300 C and with pressures from 0 to 10 atmospheres. The surface tension measuring device constructed requires less than a 1.0 cc sample and displays an accuracy of about 5 percent in preliminary tests, while the viscometer constructed for this program requires a 0.05 cc sample and shows an accuracy of about 5 percent in initial tests.

Saaski, E. W.↗
DOE OSTI2024

Electrolyte Design for NMC811||SiO x -Gr Lithium-Ion Batteries with Excellent Low-Temperature and High-Rate Performance

The use of high-nickel NMC811 cathode and SiO x -Gr anode can greatly improve the overall energy densities of lithium-ion batteries. However, the unfavorable solid electrolyte interphase (SEI) layer generated from the decomposition of EC-based electrolytes lead to the poor cycling stability of NMC811||SiO x -Gr cells. Here we report an electrolyte design of 1.5 M LiPF 6 dissolved in FEC/MA/BN 2:2:6 by volume, which can form thin, robust, and homogeneous SEI layer to greatly improve the charge transfer at the electrode-electrolyte interface. Importantly, the designed electrolyte shows an outstanding low temperature performance that it can deliver a capacity of 123.3 mAh g –1 after 50 cycles at −20 °C with a current density of 0.5 C, overwhelming the standard EC-based electrolyte (1.2 M LiPF 6 EC/EMC 3:7 by volume) with a capacity of 35.7 mAh g –1 . The electrolyte also has a superior rate performance that it achieves a capacity of 122.5 mAh g −1 at a high current density of 10 C. Moreover, the LTE electrolyte holds the great potential of extreme fast-charging ability because of the large part of CC contribution in the CCCV charging model at high charging current densities.

Electrochemistry↗
DOE OSTI2020

Materials Data on Tl2FeC5N6O by Materials Project

FeTl2C5N6O crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Fe2+ is bonded in a distorted single-bond geometry to five C+3.20+ and one N3- atom. There are a spread of Fe–C bond distances ranging from 1.92–1.95 Å. The Fe–N bond length is 1.67 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Tl–N bond distances ranging from 2.71–3.18 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Tl–N bond distances ranging from 2.81–3.01 Å. There are five inequivalent C+3.20+ sites. In the first C+3.20+ site, C+3.20+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.20+ site, C+3.20+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.18 Å. In the third C+3.20+ site, C+3.20+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+3.20+ site, C+3.20+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+3.20+ site, C+3.20+ is bonded in a distorted linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C+3.20+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Tl1+ and one C+3.20+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one Tl1+ and one C+3.20+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Fe2+ and one O2- atom. The N–O bond length is 1.15 Å. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to one Tl1+ and one C+3.20+ atom. In the sixth N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one C+3.20+ atom. O2- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Establishing Cleaning Methods for Cleanroom and Safety Suits at Remote Sites with Available Resources

"The James Webb Space Telescope (JWST) spent considerable time in multiple clean facilities during its launch campaign at the Centre Spatial Guyanais (CSG) in French Guiana. Throughout this time, it was imperative that personnel wear approved cleanroom or safety suits when working in proximity to the JWST observatory. This proved to be challenging for two reasons: 1) A large quantity of NASA cleanroom suits needed to be shipped to CSG to account for the heavy volume of NASA and ESA personnel requiring access to the clean facilities. It became evident that shipping clean suits from the US to CSG in a timely fashion during the launch campaign would be challenging. Consequently, a backup plan needed to be established to avoid running out. 2) For safety purposes, Self-Contained Atmospheric Protection Ensemble (SCAPE) and Splash suits were required for hazardous operations. Neither type of suit was cleanroom compatible; therefore, a viable cleaning process needed to be developed to ensure both types of suits met JWST’s approved cleanliness standards. The NASA Contamination Control (CC) team partnered with CSG’s S5E cleanroom and suit processing team. The teams were able to make modifications to the S5E facility to create a NASA approved makeshift clean environment where NASA cleanroom suits and CSG Splash suits were inspected, folded, and bagged for cleanroom use once they were washed and dried. Since SCAPE suits could not be cleaned using conventional methods, a procedure was developed to clean and inspect the suits by the CC team in a temporary clean environment prior to fueling. "

James Webb Space Telescope↗
DOE OSTI2020

Reaction Profiles and Kinetics for Radical–Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Radical-radical abstractions in hydrocarbon oxidation chemistry are disproportionation reactions that are generally exothermic with little or no barrier yet are underappreciated and poorly studied. Such challenging multireference electronic structure problems are tackled here using the recently developed state-specific multireference coupled cluster methods Mk-MRCCSD and Mk-MRCCSD(T), as well as the companion perturbation theory Mk-MRPT2 and the established MRCISD, MRCISD+Q, and CASPT2 approaches. Reaction paths are investigated for five prototypes involving radical-radical hydrogen abstraction: H + BeH → H 2 + Be, H + NH 2 → H 2 + NH, CH 3 + C 2 H 5 → CH 4 + C 2 H 4 , H + C2H 5 → H 2 + C 2 H 4 , and H + HCO → H 2 + CO. Full configuration interaction (FCI) benchmark computations for the H + BeH, H + NH 2 , and H + HCO reactions prove that Mk-MRCCSD(T) provides superior accuracy for the interaction energies in the entrance channel, with mean absolute errors less than 0.3 kcal mol(-1) and percentage deviations less than 10% over the fragment separations of relevance to kinetics. To facilitate combustion studies, energetics for the CH 3 + C 2 H 5 , H + C 2 H 5 , and H + HCO reactions were computed at each level of theory with correlation-consistent basis sets (cc-pVXZ, X = T, Q 5) and extrapolated to the complete basis set (CBS) limit. These CBS energies were coupled with CASPT2 projected vibrational frequencies along a minimum energy path to obtain rate constants for these three reactions. The rigorous Mk-MRCCSD(T)/CBS results demonstrate unequivocally that these three reactions proceed with no barrier in the entrance channel, contrary to some earlier predictions. Mk-MRCCSD(T) also reveals that the economical CASPT2 method performs well for large interfragment separations but may deteriorate substantially at shorter distances.

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

Atomic isotropic hyperfine properties for first row elements (B–F) revisited

Benchmark quality isotropic hyperfine properties have been obtained for first row elements (B–F) using a systematic composite approach consisting of a sequence of core/valence correlation consistent basis sets, up through aug-cc-pCV8Z, along with configuration interaction and coupled cluster theory methods. The best nonrelativistic final values (in MHz) are 10.64 (B), 20.22 (C), 10.59 (N), –31.74 (O), and 318.30 (F) and are in very good agreement with available experimental values for these difficult-to-describe properties. Agreement is especially close in the case of N, which has the most accurate experimental value. The spin densities derived from the best composite level of theory were found to closely follow a simple quadratic scaling with the atomic number, Z. Finally, observed convergence rates in the 1-particle and n-particle expansions obtained here may be useful in judging likely accuracy that can be expected in studies of molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Sodium azide mutagenesis induces a unique pattern of mutations

The nature and effect of mutations are of fundamental importance to the evolutionary process. The generation of mutations with mutagens has also played important roles in genetics. Applications of mutagens include dissecting the genetic basis of trait variation, inducing desirable traits in crops, and understanding the nature of genetic load. Previous studies of sodium azide-induced mutations have reported single nucleotide variants (SNVs) found in individual genes. To characterize the nature of mutations induced by sodium azide, we analyze whole-genome sequencing (WGS) of 11 barley lines derived from sodium azide mutagenesis, where all lines were selected for diminution of plant fitness owing to induced mutations. We contrast observed mutagen-induced variants with those found in standing variation in WGS of 13 barley landraces. Here, we report indels that are two orders of magnitude more abundant than expected based on nominal mutation rates. We found induced SNVs are very specific, with C → T changes occurring in a context followed by another C on the same strand (or the reverse complement). The codons most affected by the mutagen include the sodium azide-specific CC motif (or the reverse complement), resulting in a handful of amino acid changes and few stop codons. The specific nature of induced mutations suggests that mutagens could be chosen based on experimental goals. Sodium azide would not be ideal for gene knockouts but will create many missense mutations with more subtle effects on protein function.

Genetics & Heredity↗
NASA NTRS2018

The Effect of Thin Film Adhesives on Mode I Interlaminar Fracture Toughness in Carbon Fiber Composites with Shape Memory Alloy Inserts

Shape Memory Alloy (SMA) was placed within Polymer Matrix Composite (PMC) panels alongside film adhesives to examine bonding. Double cantilever beam (DCB) testing was performed using ASTM D5528. C-scanning was performed before testing, modal acoustic emissions (MAE) were monitored during testing, and microscopy performed post-test. Data was analyzed using modified beam theory (MBT), compliance calibration (CC) and modified compliance calibration (MCC) methods. Fracture toughness for control specimens was higher than previously reported due to fiber-bridging. Specimens with SMAs and adhesives stabilized crack propagation. Results revealed SMA-bridging; a phenomenon mimicking fiber-bridging which increased the load and fracture toughness of SMA specimens.

Derek J Quade↗