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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
NASA NTRS2014

Research Data Alliance: Understanding Big Data Analytics Applications in Earth Science

The Research Data Alliance (RDA) enables data to be shared across barriers through focused working groups and interest groups, formed of experts from around the world - from academia, industry and government. Its Big Data Analytics (BDA) interest groups seeks to develop community based recommendations on feasible data analytics approaches to address scientific community needs of utilizing large quantities of data. BDA seeks to analyze different scientific domain applications (e.g. earth science use cases) and their potential use of various big data analytics techniques. These techniques reach from hardware deployment models up to various different algorithms (e.g. machine learning algorithms such as support vector machines for classification). A systematic classification of feasible combinations of analysis algorithms, analytical tools, data and resource characteristics and scientific queries will be covered in these recommendations. This contribution will outline initial parts of such a classification and recommendations in the specific context of the field of Earth Sciences. Given lessons learned and experiences are based on a survey of use cases and also providing insights in a few use cases in detail.

Riedel, Morris↗
DOE OSTI2018

Industrial IoT cross-layer forensic investigation

Cross-layer forensic investigation is addressed for Industrial Internet of Things (IIoT) device attacks in Critical Infrastructure (CI) applications. The operational motivation for cross-layer investigation is provided by the desire to directly correlate bit-level network anomaly detection with physical layer (PHY) device connectivity and/or status (normal, defective, attacked, etc.) at the time of attack. The technical motivation for developing cross-layer techniques is motivated by (a) having considerable capability in place for Higher-Layer Digital Forensic Information exploitation—real-time network cyberattack and postattack analysis, (b) having considerably less capability in place for Lowest-Layer PHY Forensic Information exploitation—the PHY domain remains largely under exploited, and (c) considering cyber-physical integration as a means to jointly exploit higher-layer digital and lowest-layer PHY forensic information to maximize investigative benefit in IIoT cyber forensics. A delineation of higher-layer digital and lowest-layer PHY elements is provided for the standard network Open Systems Interconnection model and the specific Perdue Enterprise Reference Architecture commonly used in IIoT Industrial Control System/Supervisory Control and Data Acquisition applications. Finally, a forensics work summary is provided for each delineated area based on selected representative publications and provides the basis for presenting the envisioned cross-layer forensic investigation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

We recently proposed Domain Separated Density Functional Theory (DS-DFT), a framework that allows for the combination of different levels of theory for the computation of the electronic structure of molecules. Here, this work discusses the application of DS-DFT to the computation of transition-state energy barriers and optical absorption spectra. We considered several hydrogen abstraction reactions and optical spectra of molecule/metal cluster systems, including the absorption of individual species such as carbon monoxide, methane, and molecular hydrogen to a Li6 cluster. We present and discuss two domain-separated methods: i), the screened-density approximation (SDA), and, ii), linearly weighted exchange (LWE). We find that SDA, which is applied as a hybridization based on atomic domains, could be useful to computing energy barriers, whereas LWE is suited for the analysis of electronic properties such as ground-state gaps, excitation energies, and oscillator strengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A Comprehensive Informative Metric for Analyzing HPC System Status Using the LogSCAN Platform

Log processing by Spark and Cassandra-based ANalytics (LogSCAN) is a newly developed analytical platform that provides flexible and scalable data gathering, transformation and computation. One major challenge is to effectively summarize the status of a complex computer system, such as the Titan supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). Although there is plenty of operational and maintenance information collected and stored in real time, which may yield insights about short- and long-term system status, it is difficult to present this information in a comprehensive form. In this work, we present system information entropy (SIE), a newly developed metric that leverages the powers of traditional machine learning techniques and information theory. By compressing the multivariant multi-dimensional event information recorded during the operation of the targeted system into a single time series of SIE, we demonstrate that the historical system status can be sensitively represented concisely and comprehensively. Given a sharp indicator as SIE, we argue that follow-up analytics based on SIE will reveal in-depth knowledge about system status using other sophisticated approaches, such as pattern recognition in the temporal domain or causality analysis incorporating extra independent metrics of the system.

Hui, Yawei↗
DOE OSTI2025

In Situ Diffraction and Ex Situ Transmission X‐Ray Microscopy Studies of Solid‐State Upcycling for NMC Cathodes

Upcycling of recycled LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) cathodes offers an economical route to produce cathode materials with increased energy density (i.e., LiNi 0.8 Mn 0.1 Co 0.1 O 2 , NMC811) that meet the performance needs of present-day electric vehicles. In this work, solid-state upcycling of NMC622 via calcination with Ni(OH) 2 and LiOH was monitored using in situ synchrotron powder X-ray diffraction measurements. Sequential Rietveld refinements indicate that the calcination proceeds by initially converting Ni(OH) 2 to a rocksalt NiO phase followed by lithiation of NiO to form LiNiO 2 (LNO), with both NMC and LNO phases present in nearly equal proportions at the calcination endpoint. Variable-energy transmission X-ray microscopy tomograms of upcycled samples reveal that the NMC and LNO domains are intermixed at sub-micron length scales. Depth-dependent analysis of multi-elemental fitting maps matches the expected NMC811 composition at the secondary particle level and indicates that transition metal diffusion is not limited by the secondary particle size.

cathode upcycling↗
NASA NTRS2002

Fan Noise Source Diagnostic Test: Vane Unsteady Pressure Results

To investigate the nature of fan outlet guide vane pressure fluctuations and their link to rotor-stator interaction noise, time histories of vane fluctuating pressures were digitally acquired as part of the Fan Noise Source Diagnostic Test. Vane unsteady pressures were measured at seven fan tip speeds for both a radial and a swept vane configuration. Using time-domain averaging and spectral analysis, the blade passing frequency (BPF) harmonic and broadband contents of the vane pressures were individually analyzed. Significant Sound Pressure Level (SPL) reductions were observed for the swept vane relative to the radial vane for the BPF harmonics of vane pressure, but vane broadband reductions due to sweep turned out to be much smaller especially on an average basis. Cross-correlation analysis was used to establish the level of spatial coherence of broadband pressures between different locations on the vane and integral length scales of pressure fluctuations were estimated from these correlations. Two main results of this work are: (1) the average broadband level on the vane (in dB) increases linearly with the fan tip speed for both the radial and swept vanes, and (2) the broadband pressure distribution on the vane is nearly homogeneous and its integral length scale is a monotonically decreasing function of fan tip speed.

Envia, Edmane↗
DOE OSTI2021

Effect of CO 2 -brine-rock reactions on pore architecture and permeability in dolostone: Implications for CO 2 storage and EOR

Geologic carbon sequestration (GCS) is considered a feasible technology for storing substantive volumes of greenhouse gases in subsurface geological formations. In the reservoir, far from carbon dioxide (CO 2 ) injection wells or in post-injection scenarios, diffusion dominates over advection. This condition conjoins with spatially distributed geochemical reactions to induce heterogeneous changes in pore architecture, i.e. pore body and throat sizes or surface roughness. These changes can affect CO 2 transport properties and storage capacity. In this work, we investigated mineral dissolution and precipitation in dolomite samples saturated with a CO 2 -saturated brine at 93 °C and 34.5 MPa, aged without flow. Two rock types samples, i.e. intergranular- and vuggy-dominant, were selected to investigate changes in pore size, porosity and permeability under reactive conditions. Mineral dissolution and precipitation were characterized using scanning electron microscopy. Changes in pore size were quantified via time-domain nuclear magnetic resonance (TD-NMR) transverse relaxation time (T 2 ) and diffusion coefficient (D) distributions. We show that mineral dissolution likely occurs in highly permeable pathways. These observations are confirmed through analysis of (T 2 ) and diffusion coefficient (D) distributions. In contrast to results during CO 2 -enriched brine continuous injection, mineral precipitation was observed in micropores. The leftward shift of the T 2 peaks, corresponding to micropores, also evidenced mineral precipitation in lowpermeability zones. However, microscale alterations resulted only in a subtle increase in porosity and permeability. Results in this study shed light on effects of geochemical reactions on alteration of rock properties in diffusion-dominated regions during CO 2 storage.

58 GEOSCIENCES↗
DOE OSTI2021

Josephson detection of time-reversal symmetry broken superconductivity in SnTe nanowires

A Josephson junction (JJ) couples the supercurrent flowing between two weakly linked superconductors to the phase difference between them via a current-phase relation (CPR). While a sinusoidal CPR is expected for conventional junctions with insulating weak links, devices made from some exotic materials may give rise to unconventional CPRs and unusual Josephson effects. In this work, we present such a case: we investigate the proximity-induced superconductivity in SnTe nanowires by incorporating them as weak links in JJs and observe a deviation from the standard CPR. We report on indications of an unexpected breaking of time-reversal symmetry in these devices, detailing the unconventional characteristics that reveal this behavior. These include an asymmetric critical current in the DC Josephson effect, a prominent second harmonic in the AC Josephson effect, and a magnetic diffraction pattern with a minimum in critical current at zero magnetic field. The analysis examines how multiband effects and the experimentally visualized ferroelectric domain walls give rise to this behavior, giving insight into the Josephson effect in materials that possess ferroelectricity and/or multiband superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities

Novel materials for high performance applications increasingly exhibit structural order on the nanometer length scale; a domain where crystallography, the basis of Rietveld refinement, fails [1]. In such instances the total scattering approach, which treats Bragg and diffuse scattering on an equal basis, is a powerful approach. In recent years, the analysis of the total scattering data became an invaluable tool and the gold standard for studying nanocrystalline, nanoporous, and disordered crystalline materials. The data may be analyzed in reciprocal space directly, or Fourier transformed to the real-space atomic pair distribution function (PDF) and this intuitive function examined for local structural information. Here we give a number of illustrative examples, for convenience picked from our own work, of recent developments and applications of total scattering and PDF analysis to novel complex materials. There are many other wonderful examples from the work of others.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Value Added Products from Renewable Biofuels

Cellulosic ethanol is an emerging biofuel that will make strong contributions to American domestic energy needs. In the US midwest the standard method for pretreatment of biomass uses hot acid to deconstruct lignocellulose. While other methods work, they are not in common use. Therefore it is necessary to work within this context to achieve process improvements and reductions in biofuel cost. Technology underlying this process could supplement and even replace commodity enzymes with engineered microbes to convert biomass-derived lignocellulose feedstocks into biofuels and valueadded chemicals. The approach that was used here was based on consolidated bioprocessing. Thermoacidophilic microbes belonging to the Domain Archaea were evaluated and modfied to promote deconvolution and saccharification of lignocellulose. Biomass pretreatment (hot acid) was combined with fermentation using an extremely thermoacidophilic microbial platform. The identity and fate of released sugars was controlled using metabolic blocks combined with added biochemical traits where needed. LC/MS analysis supported through the newly established Nebraska Bioenergy Facility provided general support for bioenergy researchers at the University of Nebraska. The primary project strategy was to use microbes that naturally flourish in hot acid (thermoacidophiles) with conventional biomass pretreatment that uses hot acid. The specific objectives were: to screen thermoacidophilic taxa for the ability to deconvolute lignocellulose and depolymerize associated carbohydrates; evaluate and respond to formation of “inhibitors” that arose during incubation of lignocellulose under heated acidic conditions; identify and engineer “sugar flux channeling and catabolic blocks” that redirect metabolic pathways to maximize sugar concentrations; expand the hydrolytic capacity of extremely thermoacidophilic microbes through the addition of deconvolution traits; and establish the Nebraska Bioenergy Facility (NBF) at the University of Nebraska-Lincoln.

09 BIOMASS FUELS↗
DOE OSTI2018

Abstract - Cooperative Research and Development Agreement between Atrex Energy, Inc. and National Energy Technology Laboratory

The National Energy Technology Laboratory (NETL) will collaborate with Atrex Energy through CRADA (AGMT-0680) to demonstrate their patent-pending, single step electrode infiltration technique on Atrex commercial-scale tubular solid oxide fuel cells (SOFC). For SOFC to be widely accepted in the commercial domain, the stability of the cells must improve and performance degradation must be mitigated for the technology to be economically viable. NETL’s single-step electrode infiltration technique addresses these challenges by introducing a highly-active nanocatalyst material into the SOFC microstructure, improving cell performance and longevity. Atrex will use NETL’s technology to generate two stacks of cells to effectively demonstrate the benefits at a commercially-relevant scale. Upon detailed analysis of the first stack test results, NETL will optimize the solution chemistry of the nanocatalyst material for an improved formula to incorporate into the second test. This work is funded through a Technology Commercialization Fund that has been awarded to NETL and Atrex as is expected to result in licensing of the technology upon a successful project.

25 ENERGY STORAGE↗
DOE OSTI2015

Experimental Characterization of a Grid-Loss Event on a 2.5-MW Dynamometer Using Advanced Operational Modal Analysis: Preprint

This paper experimentally investigates a worst case grid loss event conducted on the National Renewable Energy Laboratory (NREL) Gearbox Reliability Collaborative (GRC) drivetrain mounted on the 2.5MW NREL dynamic nacelle test-rig. The GRC drivetrain has a directly grid-coupled, fixed speed asynchronous generator. The main goal is the assessment of the dynamic content driving this particular assess the dynamic content of the high-speed stage of the GRC gearbox. In addition to external accelerometers, high frequency sampled measurements of strain gauges were used to assess torque fluctuations and bending moments both at the nacelle main shaft and gearbox high-speed shaft (HSS) through the entire duration of the event. Modal analysis was conducted using a polyreference Least Squares Complex Frequency-domain (pLSCF) modal identification estimator. The event driving the torsional resonance was identified. Moreover, the pLSCF estimator identified main drivetrain resonances based on a combination of acceleration and strain measurements. Without external action during the grid-loss event, a mode shape characterized by counter phase rotation of the rotor and generator rotor determined by the drivetrain flexibility and rotor inertias was the main driver of the event. This behavior resulted in significant torque oscillations with large amplitude negative torque periods. Based on tooth strain measurements of the HSS pinion, this work showed that at each zero-crossing, the teeth lost contact and came into contact with the backside flank. In addition, dynamic nontorque loads between the gearbox and generator at the HSS played an important role, as indicated by strain gauge-measurements.

17 WIND ENERGY↗
DOE OSTI2019

Rheology, Mechanical Properties and Morphology of Poly(lactic acid)/Ethylene Vinyl Acetate Blends

In this work, the effect of ethylene vinyl acetate (EVA) content on the rheology, mechanical properties, and morphology of poly (lactic acid) (PLA)/EVA blends was investigated. Differential Scanning Calorimetry (DSC) showed that the addition of EVA to PLA decreased the degree of crystallinity of PLA. Dynamic Mechanical Thermal Analysis (DMTA) results showed that the presence of EVA copolymer increased the cold crystallization temperature (T{sub cc}) of PLA. The addition of 10% of EVA to PLA substantially increased the impact strength. Morphology analysis by Scanning Electron Microscopy (SEM) indicated the immiscibility between PLA and EVA phases and an in increase the EVA average dispersed phase domains size with the increase in EVA content. Rheological measurements under oscillatory shear flow showed that storage modulus (G′) increased with the increase in the EVA content at low frequencies and is related to the increase in the EVA dispersed phase domains size, as also observed by relaxation spectrum analysis. Cole–Cole plots of imaginary viscosity (η″) versus real viscosity (η′) and Han plots of storage modulus (G′) versus loss modulus (G″) indicated that PLA and EVA phases are immiscible, as also observed by SEM.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Toward Greener Polymeric Blends: Study of PBAT/Thermoplastic Whey Protein Isolate/Beeswax Blends

This work evaluated the effects of partial substitution of PBAT by thermoplastic whey protein isolate (WPIT) with addition of beeswax through blends processing and their morphological, mechanical, structural, thermal and rheological properties. Whey protein isolate (WPI) was denatured at 90 °C, using glycerol as plasticizer, to be transformed in a thermoplastic material and subsequently blended with PBAT using a torque rheometer at 130 °C. Addition of 10 and 30% of WPIT in the PBAT matrix was investigated with and without beeswax. Blends were pressed as films with ~ 320 µm of thickness. Scanning electron microscopy (SEM) analysis of PBAT/WPIT blends films revealed the presence of domains. These domains are compounded of whey protein, while at the continuous phase a moderate degree of mixture between PBAT and WPIT was observed by Raman analyses. WPIT did not alter the degree of crystallinity and the glass-transition temperature (T{sub g}) of the PBAT in the blends. Thermogravimetric curves of the blends showed decomposition stages related to WPIT and PBAT phases. Thermal stability of blends decreased in comparison to WPIT, which was associated to the cleavage of disulfide bonds of WPIT during processing and causes other kind of interaction between components. Besides, blends containing WPIT remained non-rigid polymers with Young’s modulus below 70 MPa. The tensile strength and elongation at break decreased due the presence of WPIT. Beeswax did not influence the thermal and mechanical properties explored in this study.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Well-Posedness of the Iterative Boltzmann Inversion

The iterative Boltzmann inversion is a fixed point iteration to determine an effective pair potential for an ensemble of identical particles in thermal equilibrium from the corresponding radial distribution function. Although the method is reported to work reasonably well in practice, it still lacks a rigorous convergence analysis. In this paper we provide some first steps towards such an analysis, and we show under quite general assumptions that the associated fixed point operator is Lipschitz continuous (in fact, differentiable) in a suitable neighborhood of the true pair potential, assuming that such a potential exists. In other words, the iterative Boltzmann inversion is well-defined in the sense that if the kth iterate of the scheme is sufficiently close to the true pair potential then the k+1st iterate is an admissible pair potential, which again belongs to the domain of the fixed point operator. On our way we establish important properties of the cavity distribution function and provide a proof of a statement formulated by Groeneveld concerning the rate of decay at infinity of the Ursell function associated with a Lennard-Jones type potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Light induced ion migration studies in perovskite solar cell using nonlinear impedance spectroscopy

Complex interactions between mobile ions and charge carriers in perovskite solar cells (PSCs) make it challenging to fully understand their dynamic interplay. Exposure to light further complicates these interactions, altering the system’s dynamics and inducing nonlinear effects that lead to changes in the J−V curve. Understanding these effects is crucial for improving the operational stability of PSCs. Impedance spectroscopy (IS) is a powerful technique for evaluating relaxation processes in the frequency domain; however, it is limited in capturing nonlinear contributions. Here, in this work, nonlinear impedance spectroscopy (NLIS) is employed to analyze the higher harmonic response to AC perturbation, both in the dark and after short-term light exposure. A shift in the low-frequency (LF) higher harmonic peak is observed after open-circuit light exposure, attributed to an altered electric field suggesting ion re-distribution, whereas closed-circuit exposure shows no LF shift, indicating minimal ion movement. Additionally, light exposure reduces higher-order admittance, more notably in open-circuit conditions, suggesting decreased recombination. Temperature-dependent analysis was conducted to characterize the activation energy of migrating species, identifying iodide as the dominant migrating ion.

14 SOLAR ENERGY↗
DOE OSTI2016

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Isoplethal study of phase formation and morphology in uranium-304L steel via scanning electron microscopy

Understanding the formation of uranium alloys with steel is important to advance nuclear technologies involving U metal fuels and machining U metal, and for nuclear forensics applications. No known phase diagram for the quaternary U-(M = Fe, Ni, Cr) system exists. For this work, we synthesize samples of U-304 L steel (nominal composition 70.1:18.3:10.4 at% Fe:Cr:Ni) across the U composition range 4.45—63.35 at%U by arc melting under inert conditions. Using the binary UFe phase diagram as a reference, we identify four U-steel alloy phases. We find the known U-Fe analogue phases UM 2 and U 6 M, and two low-U composition phases with nominal compositions UM 10 and U 2 M 7 . We apply a correlation length analysis to backscatter scanning electron microscopy images of sectioned and polished cross sections to quantify the domain formation length scale. We demonstrate that these depend heavily on the initial composition and range from 30 nm to 1.5 µm. This result, in particular, could be applicable to theoretical predictions of transport properties. Furthering our understanding of U alloy phase formation with important structural elements such as steel primaries is foundational in developing future nuclear technology.

36 MATERIALS SCIENCE↗