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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

α-Synuclein Sterically Stabilizes Spherical Nanoparticle-Supported Lipid Bilayers

While it is generally accepted that neuronal protein α-synuclein binds to highly curved and highly charged lipid membranes, its biological function beyond binding remains unknown despite its fundamental link to Parkinson’s disease. Herein, we utilize spherical nanoparticle lipid bilayers (SSLBs) to recapitulate the charge and curvature limit of membrane organelles with which α-synuclein associates and probe how α-synuclein affects SSLB structure and dynamics as a proxy for interorganelle interactions. Furthermore, small-angle X-ray scattering and X-ray photon correlation spectroscopy reveal our SSLBs form aggregates that are clearly broken up by the addition of α-synuclein, a clear indication that α-synuclein confers steric stabilization to membrane surfaces.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Multi-stimuli responsive tetra-PPO 60 -PEO 20 ethylene diamine block copolymer enables pH, temperature, and solvent regulation of Au nanoparticle composite plasmonic response

In this work a gold nanoparticle (NP) hydrogel composite prepared by multi-step cascade synthesis undergoes temperature, pH, and solvent dependent nanoscale structural transformations promoting modulation of the plasmon resonance. The composite is spontaneously prepared from a non-covalent lamellar structured lyotropic mesophase (complex fluid) composed of amphiphiles (DMPC and Triton X-100) that support the reactive constituents, a mixture of hydroxyl and acrylate end-derivatized Tetronic (Poloxamine) polymer and [AuCl4] – . The reaction sequence begins with the reduction of [AuCl4] – by the ethylene diamine linkage and PEO blocks of the Tetronic, yielding Au NPs. The redox reaction generates free radicals initiating crosslinking of the acrylate end-derivatized polymer producing a chemical hydrogel. Optical spectroscopy and electron microscopy confirm Au NP formation. ATR/FT-IR spectroscopy and thermal analysis establish acrylate crosslinking and network formation. X-ray scattering reveals the composite reversibly converts between multilamellar and bicontinuous cubic structures as temperature is increased above 35 °C for composites containing protonated ethylene diamine linkages (un-buffered water or acidic buffer). The reversible changes in nanoarchitecture red shifts and broadens the collective plasmon (from 523 nm to 575 nm) of the composite, an observation attributed to re-organization of confined NPs from 2D sheets (lamellae) to 1D columns (bicontinuous cubic channels). Composites prepared in alkaline buffer do not undergo a structural conversion with temperature, retaining a multilamellar architecture. In addition to pH and thermo-responsivity, the composite swells reversibly in polar solvents, which acts to de-aggregate and aggregate the encapsulated NPs and varies the plasmon resonance by Δ52 nm. This work reports the first combined use of a polymer to achieve both the in situ synthesis of spatially confined plasmonic NPs and their reversible stimuli-triggered re-organization mediated by interconvertible changes in scaffold nanoarchitecture.

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

Structural analysis of zwitterionic liquids vs. homologous ionic liquids

Zwitterionic liquids (Zw-ILs) have been developed that are homologous to monovalent ionic liquids (ILs) and show great promise for controlled dissolution of cellulosic biomass. Using both high energy X-ray scattering and atomistic molecular simulations, this article compares the bulk liquid structural properties for novel Zw-ILs with their homologous ILs. It is shown that the significant localization of the charges on Zw-ILs leads to charge ordering similar to that observed for conventional ionic liquids with monovalent anions and cations. A low-intensity first sharp diffraction peak in the liquid structure factor S(q) is observed for both the Zw-IL and the IL. This is unexpected since both the Zw-IL and IL have a 2-(2-methoxyethoxy)ethyl (diether) functional group on the cationic imidazolium ring and ether functional groups are known to suppress this peak. Detailed analyses show that this intermediate range order in the liquid structure arises for slightly different reasons in the Zw-IL vs. the IL. For the Zw-IL, the ether tails in the liquid are shown to aggregate into nanoscale domains.

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

Dependent scattering and fractal microstructure determine the transparency of aerogel monoliths

This study reveals how dependent scattering and microstructure significantly affect electromagnetic wave propagation through aerogel monoliths, contributing to their transparency. Light scattering by particle ensembles is considered “dependent” when the scattering properties rely not only on particle size and optical constants but also on their spatial distribution, typically occurring when the average interparticle distance is small in comparison with the wavelength of incident radiation. Addressing dependent scattering requires solving Maxwell’s equations for complex heterogeneous structures, which is computationally demanding and usually limited to sample thicknesses on the same scale as the wavelength. This study combines computer-generated ambigel microstructures of fractal aggregates of polydisperse nanoparticles and the radiative transfer with reciprocal transaction method to predict the transmittance of thick ambigel slabs. Transmittance measurements of ambiently dried aerogel monoliths (ambigels) with porosities from about 50% to 90% closely matched the predicted values for their digital twins. However, ignoring dependent scattering or particle aggregation led to inaccurate predictions. This study validated the computational framework, and its findings offer insights for designing photonic metamaterials and analyzing their interactions with electromagnetic waves.

Yalcin, Refet A. (ORCID:0000000339973494)↗
DOE OSTI2019

A Plug-Loads Game Changer: Computer Gaming Energy Efficiency without Performance Compromise

Two-thirds of Americans play computer games. Although among the most complex and energy intensive plug loads, gaming has been largely overlooked in energy research and development and policy. Systems used for computer gaming in California consumed 4.1 terawatt-hours/year in 2016 or $700 million in energy bills, with emissions of 1.5 million tons carbon dioxide equivalent allocated 66 percent to consoles, 31 percent to desktop personal computers, 3 percent to laptops, and less than 1 percent to emerging media streaming devices. Key findings include: • Aggregate energy demand places gaming among the top plug loads in California, with gaming representing one-fifth of the state’s total miscellaneous residential energy use. • Market structure changes could substantially affect statewide energy use; energy demand could rise by 114 percent by 2021 under intensified desktop gaming, or fall by 24 percent given a major shift towards consoles coupled with energy efficiency gains. • Unit energy consumption is remarkably varied across gaming platform types: across 26 systems tested, client-side electricity use ranged from 5 to more than 1,200 kWh per year, reflecting equipment choice and usage patterns. • Some emerging technologies and activities are driving energy demand higher, including processor overclocking, cloud-based gaming, higher-resolution connected displays, and virtual reality gaming. • User behavior influences gaming energy use more than technology choice; duty cycle and game choice are particularly strong drivers of demand. • Energy efficiency opportunities are substantial, about 50 percent on a per-system basis for personal computers and 40 percent for consoles if past rates of improvement continue. While simultaneously quantifying efficiency and gaming performance is problematic, evidence suggests that efficiency can be improved while maintaining or improving user experience. Familiar energy policy strategies can help manage gaming energy demand, although mandatory system-level standards are not promising (component-level measures may be).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1972

The fluid mechanics of thrombus formation

Experimental data are presented for the growth of thrombi (blood clots) in a stagnation point flow of fresh blood. Thrombus shape, size and structure are shown to depend on local flow conditions. The evolution of a thrombus is described in terms of a physical model that includes platelet diffusion, a platelet aggregation mechanism, and diffusion and convection of the chemical species responsible for aggregation. Diffusion-controlled and convection-controlled regimes are defined by flow parameters and thrombus location, and the characteristic growth pattern in each regime is explained. Quantitative comparisons with an approximate theoretical model are presented, and a more general model is formulated.

Source record↗
NASA NTRS1985

Effects of soil tillage on the microwave emission of soils

In order to understand the interactions of soil properties and microwave emission better, a series of field experiments were conducted in 1984. Small plots were measured with a truck-mounted passive microwave radiometer operating at 1.4 GHz. These data were collected concurrent with ground observations of soil moisture and bulk density. Treatment effects studied included different soil moisture contents and bulk densities. Evaluations of the data have shown that commonly used models of the dielectric properties of wet soils do not explain the observations obtained in these experiments. This conclusion was based on the fact that the roughness parameters determined through optimization were significantly larger than those observed in similar investigations. These discrepancies are most likely due to the soil structure. Commonly used models assume a homogeneous three phase mixture of soil solids, air and water. Under tilled conditions the soil is actually a two phase mixture of aggregates and voids. Appropriate dielectric models for this tilled condition were evaluated and found to explain the observations. These results indicate that previous conclusions concerning the effects of surface roughness in tilled fields may be incorrect, and they may explain some of the inconsistencies encountered in roughness modeling.

Jackson, T. J.↗
NASA NTRS2004

Liquid Phase Deposition of Single-Phase Alpha-Copper-Indium-Diselenide

The success of exploratory missions in outer space often depends on a highly efficient renewable energy supply, as provided by solar cells. Since future missions will demand large aggregates of solar cells, and space flight is expensive, the solar cells must furthermore be available at low costs and have a long lifetime and high resistance against structural damage introduced by irradiation with high energy electrons and protons. The photovoltaic materials that are presently available only partly fulfill all these requirements. Therefore, we propose to explore a new method for fabricating thin-films for cost-efficient solar cells with very high specific power,high irradiation resistance and long lifetime based on the alpha-phase of the Cu-In-Se system "alpha-CIS."

Hepp, Aloysius F.↗
NASA NTRS2018

Changes in Exercise Data Management

The suite of exercise hardware aboard the International Space Station (ISS) generates an immense amount of data. The data collected from the treadmill, cycle ergometer, and resistance strength training hardware are basic exercise parameters (time, heart rate, speed, load, etc.). The raw data are post processed in the laboratory and more detailed parameters are calculated from each exercise data file. Updates have recently been made to how this valuable data are stored, adding an additional level of data security, increasing data accessibility, and resulting in overall increased efficiency of medical report delivery. Questions regarding exercise performance or how exercise may influence other variables of crew health frequently arise within the crew health care community. Inquiries over the health of the exercise hardware often need quick analysis and response to ensure the exercise system is operable on a continuous basis. Consolidating all of the exercise system data in a single repository enables a quick response to both the medical and engineering communities. A SQL server database is currently in use, and provides a secure location for all of the exercise data starting at ISS Expedition 1 - current day. The database has been structured to update derived metrics automatically, making analysis and reporting available within minutes of dropping the inflight data it into the database. Commercial tools were evaluated to help aggregate and visualize data from the SQL database. The Tableau software provides manageable interface, which has improved the laboratory's output time of crew reports by 67%. Expansion of the SQL database to be inclusive of additional medical requirement metrics, addition of 'app-like' tools for mobile visualization, and collaborative use (e.g. operational support teams, research groups, and International Partners) of the data system is currently being explored.

Buxton, R. E.↗
DOE OSTI2026

Automated Generation of Graph-based Cyber Threat Intel

With the advancement of AI technology and tools, specifically in the cybersecurity domain, both cyber defenders and threat actors are continuously adapting the use of these capabilities to expedite their operations. With this phenomenon, threat intelligence that is up to date, refreshable, and has relevant context to a specific threat becomes more and more important as it enables cybersecurity professionals to gain insight into relevant data and relationships to guide their operations. This project enables users to frequently aggregate threat intelligence from various sources, such as vendor vulnerability advisories affecting critical infrastructure, malware reports, and adversary writeups into a centralized, standardized database. The project utilizes the Structured Threat Intelligence eXpression (STIX) for a standardized, shareable threat intelligence data format and Neo4j as a graph database solution to store STIX nodes and relationships. Initial results of the project include datasets of over 8,000 nodes and 20,000 relationships extracted from over 500 data sources that have been released within the past month.

Threat Intelligence↗
DOE OSTI2019

Influence of nanochannel structure on helium-vacancy cluster evolution and helium retention

In the fusion reactors, plasma facing materials (PFMs) will be bombarded by large amounts of energetic particles, including helium (He) atoms. These metal-insoluble He atoms are prone to self-trapping or are trapped by vacancies, dislocation cores or grain boundaries, aggregating to form high concentration He bubbles which leads to serious degradation of the PFMs’ properties. Studying the initial stages of He-defect interactions becomes increasingly important because it not only helps us understand the formation mechanism of He bubbles but also provides insight to help design new irradiation-resistant PFMs. As such, in this work we used the positron annihilation Doppler broadening spectroscopy (DBS) and secondary ion mass spectrometry (SIMS) to explore the evolutions of the interactions between vacancy-type defects and He and the retention of He in the nanochannel W film irradiated with 190 keV He + ions to different fluences under different temperatures. It is found that the presence of a nanochannel structure accelerates the release of He from the film even at low irradiation fluences, and the release of He is significantly enhanced at higher fluences, thus inhibiting or delaying the formation of large He-vacancy clusters in the nanochannel W film. Both irradiation fluence and temperature have significant influence on the formation and evolution of He-vacancy clusters, and the evolution of these microstructure also causes hardness changes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions

Superoxide dismutase 1 (SOD1) is a crucial enzyme that protects cells from oxidative damage by converting superoxide radicals into H 2 O 2 and O 2 . This detoxification process, essential for cellular homeostasis, relies on a precisely orchestrated catalytic mechanism involving the copper cation, while the zinc cation contributes to the structural integrity of the enzyme. This study presents the 2.3 Å crystal structure of human SOD1 (PDB ID: 9IYK), revealing an assembly of six homodimers and twelve distinct active sites. The water molecules form a complex hydrogen-bonding network that drives proton transfer and sustains active site dynamics. Our structure also uncovers subtle conformational changes that highlight the intrinsic flexibility of SOD1, which is essential for its function. Additionally, we observe how these dynamic structural features may be linked to pathological mutations associated with amyotrophic lateral sclerosis (ALS). By advancing our understanding of hSOD1’s mechanistic intricacies and the influence of water coordination, this study offers valuable insights for developing therapeutic strategies targeting ALS. Our structure’s unique conformations and active site interactions illuminate new facets of hSOD1 function, underscoring the critical role of structural dynamics in enzyme catalysis. Moreover, we conducted a molecular docking analysis using SOD1 for potential radical scavengers and Abelson non-receptor tyrosine kinase (c-Abl, Abl1) inhibitors targeting misfolded SOD1 aggregation along with oxidative stress and apoptosis, respectively. The results showed that CHEMBL1075867, a free radical scavenger derivative, showed the most promising docking results and interactions at the binding site of hSOD1, highlighting its promising role for further studies against SOD1-mediated ALS.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Molecular Structure and Crystallization Dynamics of Poly(3-hydroxyl alkanoate) with Medium-Chain Length Biosynthesized from Pseudomonas putida

The molecular structure of poly(3-hydroxyalkanoate) (P3HA) with medium-chain length, biosynthesized from Psuedomonas putida (P. putida), was investigated by thermal analysis, X-ray diffraction, and infrared spectrum. Cultivation in a medium of nonanoic acid and a mixed substrate of nonanoic acid and glycerin as carbon sources provided P3HA with monomer units of 7 and 9 carbons (P3HA{sub n}) and 5, 6, 7, 8, 9, and 10 carbons (P3HA{sub mix}). Since these P3HA has comparatively long side chains, the crystallinity was as low as about 10%. It was suggested that the hydrogen bonding plays an important role in constructing the crystal. The lamellar thickness was 1.20 nm, estimated from the melting temperature depression. This lamellar thickness corresponds to two repeating units. Crystallinity depending on time was observed by the CO stretching mode in the infrared spectrum, and then Avrami’s theory was applied to analyze the crystallization mechanism. The crystallization rate of P3HA{sub n} was very low, on the order of a few hours. An Avrami exponent of 1.45 was estimated from the slope of the Avrami plot. This shows that the conformational arrangement is presumably promoted along the chain axis. The slow crystallization is attributed to the long side chain, which prevents aggregation of the polymer chains.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Alkyl Chain Regiochemistry of Benzotriazole‐Based Donor Polymers Influencing Morphology and Performances of Non‐Fullerene Organic Solar Cells

Abstract The effects of alkyl chain regiochemistry on the properties of donor polymers and performances of non‐fullerene organic solar cells are investigated. Two donor polymers (PfBTAZ and PfBTAZS) are compared that have nearly identical chemical structures except for the regiochemistry of alkyl chains. The optical properties and crystallinity of two polymers are nearly identical yet the PfBTAZ:O‐IDTBR blend exhibits nearly double domain size compared to the blend based on PfBTAZS:O‐IDTBR. To reveal the origins of the very different domain size of two blends, the morphology of neat polymer films is characterized, and it is found that PfBTAZ tends to aggregate into much larger polymer fibers without the presence of O‐IDTBR. This indicates that it is not the polymer:O‐IDTBR interactions but the intrinsic aggregation properties of two polymers that determine the morphology features of neat and blend films. The stronger aggregation tendency of PfBTAZ could be explained by its more co‐planar geometry of the polymer backbone arising from the different alkyl chain regiochemistry. Combined with the similar trend observed in another set of donor polymers (PTFB‐P and PTFB‐PS), the results provide an important understanding of the structure–property relationships that could guide the development of donor polymers for non‐fullerene organic solar cells.

Chen, Shangshang↗
DOE OSTI2018

Detecting alkali-silica reaction in thick concrete structures using linear array ultrasound

The use of concrete structures in commercial nuclear power plants (NPPs) has made its long-term performance crucial for safe operation, especially with license period extensions to sixty years and possibly beyond. Alkali-Silica Reaction (ASR) is a reaction that occurs over time in concrete between alkaline cement paste and reactive, non-crystalline silica (aggregates). In the presence of water, an expansive gel is formed within the aggregates, which results in micro cracks in aggregates and adjacent cement paste. ASR can potentially affect concrete properties and performance characteristics such as compressive strength, modulus of elasticity, flexural stiffness, shear strength, and tensile strength. Currently, no NDE methods have proven effective in identifying ASR before surface cracks form. ASR is usually identified either visibly or by petrographic analysis. While ASR definitely impacts concrete material properties, the performance of concrete structures exhibiting ASR is dependent upon whether or not the concrete is unconfined or confined with reinforcing bars. Confinement by reinforcing bars acts to restrain the expansion of ASR affected concrete similar to pre-stressing, thus improving the performance of a structure. Additionally, there is no direct correlation between the mechanical properties of concrete sample cores and the in-situ properties of the concrete when inside a structure. The University of Tennessee (UTK), along with Oak Ridge National Laboratory and a consortium of universities have developed an accelerated ASR experiment. Three large concrete specimens, representative of NPP infrastructure, were constructed with both embedded and surface instruments. This paper presents preliminary analysis using frequency banded synthetic aperture focusing technique (SAFT).

Ezell, N Dianne↗
DOE OSTI2022

AbacusSummit Cleaned Halo Catalogs

This is a data release from the AbacusSummit suite of cosmological N-body simulations. It contains dark matter halo catalogs and particle samples from those halos. The halo catalogs have been augmented (cleaned) using halo merger tree information. Descriptions of AbacusSummit, the cleaned halo catalogs, and instructions for manipulating these catalogs can be found at the following URL: abacussummit.readthedocs.io/ The halo catalog cleaning is structured as a set of auxiliary files that are ingested by the reader code at runtime. But this release contains both the original catalogs and the auxiliary files, thus forming a self-contained dataset. The files in this release are aggregated by redshift. We define sets of simulations (like all c000 sims or all hugebase sims), and then store one redshift from all simulations per tarball. This is designed to support the use-case where a user wants to analyze multiple simulations at a certain redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Mesoporous EU-1 zeolite with enhanced accessibility and diffusion for bulky molecular reaction

Highlights: • Mesoporous EU-1 zeolites with adjustable mesoporosity have been first prepared. • One-dimensional in microporous to three-dimensional diffusion in mesoporous EU-1. • Obviously increment of available acid sites for bulky molecules in the zeolite. • Sufficiently reaction space for isomerization and disproportionation of cumene. - Abstract: Mesoporous EU-1 zeolites with adjustable mesoporosity have been prepared by employing silanized silica into the starting synthesis gel, based on the hinder effect of organic moiety to crystal growth. The synthesized mesoporous EU-1 zeolites were characterized by XRD, NMR, SEM/TEM and N{sub 2} adsorption/desorption at 77 K, showing the persistence of inherent microporous framework structure of EU-1 zeolite and the existence of additional mesopores within the range of 3–10 nm. The generation of mesoporosities is from the intercrystalline voids of nanocrystal aggregates. The introduction of mesopores in EU-1 zeolite increased the adsorption of mesitylene with the kinetics diameter larger than the micropore size, and made it possible for the diffusion pattern of n-heptane from one-dimensional in microporous EU-1 to three-dimensional in mesoporous EU-1. This result together with the enhanced accessibility of acidic sites of mesoporous EU-1 improved greatly the catalytic activity and product yields of cumene cracking reaction involving bulky molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Composition-Dependent Reconstructions of Titanium Oxide Clusters and Cu(111) Support via Cluster-Adatom Interactions

Mass-selected cluster deposition and scanning tunneling microscopy (STM) were used to investigate the surface structure and thermal stability of Ti 3 O y (y = 5, 6) clusters on a Cu(111) surface. STM imaging shows that the substoichiometric Ti 3 O 5 clusters aggregate into large dendritic assemblies at step edges, while the stoichiometric Ti 3 O 6 clusters are highly dispersed as single or small groupings of clusters. Cluster deposition also results in extensive reconstruction of the Cu(111) surface. The Ti 3 O 5 /Cu(111) surface exhibits one Cu-layer deep pits that are ringed by cluster assemblies that nucleate and grow at the perimeter step edges. By comparison, the Ti 3 O 6 /Cu(111) surface consists of irregular step edges and small one Cu-layer islands that are decorated with clusters. The restructuring of the Cu(111) surface is attributed to strong Cu-cluster interactions that release Cu adatoms from the step edges. This mechanism is supported by density functional theory (DFT) calculations, which predict that the Cu adatom attachment to the clusters is energetically favorable. Annealing the surfaces at elevated temperatures (400-700 K) results in higher densities of irregular steps, pits and isolated Cu islands as well as increased cluster aggregation. In conclusion, this work highlights adatom-cluster interactions as another manifestation of strong cluster-support interactions that can significantly alter the nature of the oxide-metal interface.

77 NANOSCIENCE AND NANOTECHNOLOGY↗