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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Transient vibration and product formation of photoexcited CS 2 measured by time-resolved x-ray scattering

Here, we have observed details of the internal motion and dissociation channels in photoexcited carbon disulfide (CS 2 ) using time-resolved x-ray scattering (TRXS). Photoexcitation of gas-phase CS 2 with a 200 nm laser pulse launches oscillatory bending and stretching motion, leading to dissociation of atomic sulfur in under a picosecond. During the first 300 fs following excitation, we observe significant changes in the vibrational frequency as well as some dissociation of the C–S bond, leading to atomic sulfur in the both 1 D and 3 P states. Beyond 1400 fs, the dissociation is consistent with primarily 3 P atomic sulfur dissociation. This channel-resolved measurement of the dissociation time is based on our analysis of the time-windowed dissociation radial velocity distribution, which is measured using the temporal Fourier transform of the TRXS data aided by a Hough transform that extracts the slopes of linear features in an image. The relative strength of the two dissociation channels reflects both their branching ratio and differences in the spread of their dissociation times. Measuring the time-resolved dissociation radial velocity distribution aids the resolution of discrepancies between models for dissociation proposed by prior photoelectron spectroscopy work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The Influence of Residual Copper Catalyst on the Polymer-to-Ceramic Conversion of a Click-Derived Polycarbosilane

Preceramic polymers (PCPs) are a key class of materials for the preparation of advanced ceramic components. Following conventional polymer processing and subsequent pyrolysis, polymer-derived ceramic (PDC) fibers, monoliths, and composites offer novel engineering opportunities for aerospace applications. Despite the rapidly emerging commercial applications of PDCs, many basic scientific questions remain regarding the structural transformation of the polymer to the final ceramic and how processing variables affect PDC materials properties. PCPs prepared using a mild and scalable copper (Cu) catalyzed azide/alkyne “click” reaction have been demonstrated as a unique class of material that can bind with transition metals, ultimately producing ultrahigh temperature ceramics (UHTCs) upon pyrolysis. Unexpectedly, it was found that the removal of residual Cu catalyst from a model click-derived polycarbosilane PCP significantly reduced the ceramic yield during pyrolysis. Herein, we report the influence of Cu impurities on polycarbosilane-derived SiC ceramics and present a mechanistic understanding of the unintended role of Cu in the polymer-to-ceramic conversion process. Synchrotron-based scattering and spectroscopy methods were implemented to track the evolution of different atomic species and local structures as well as the influence of Cu toward atomic-scale structures in the final ceramics. It was determined that Cu impurities catalyze the formation of silicon carbide through the formation of an intermediate molten copper/copper silicide, ultimately increasing the ceramic yield. Overall, this contribution highlights the need to carefully assess the interplay between the chemistries needed for PCP synthesis and their potential influence on final PDCs following processing.

Ponder, Jr., James F. [Air Force Research Laborato↗
DOE OSTI2019

Designing CO 2 -Responsive Multifunctional Nanoscale Fluids with Tunable Hydrogel Behavior for Subsurface Energy Recovery

The ability to direct subsurface fluid flow or achieve a high level of control on permeability in subsurface environments necessitates the development of tunable novel subsurface fluids. These multifunctional fluids should have the potential to form hydrogels to divert flow or enhance fracture networks at elevated pressures, ability to transport proppants, undergo reversible transformations from gel-like to fluid-like in response to chemical- or pressure-based perturbations, and have improved CO 2 carrying capacity for enhancing the miscibility and flowability of oil and gas. In this paper, we discuss the development of multifunctional nanofluids constructed from silica (SiO 2 ) nanoparticles and poly(allylamine) (PAA), amine bearing polymer chains with high affinity for CO 2 . A 2-fold increase in CO 2 absorption in SiO 2 -PAA nanofluids compared to the pure polymer was noted. Upon CO 2 absorption, the weakly interacting polymeric chains around the nanoparticles formed relatively compact hydrogels. Time-resolved ultrasmall-angle X-ray scattering/small-angle X-ray scattering measurements showed the transition from swollen branched polymers to Gaussian coils with an increased exposure to CO 2 . Further, CO 2 -induced hydrogel formation in aqueous fluids bearing 1 wt % SiO 2 -PAA nanofluids occurred at room temperature, unlike in fluids bearing 1 wt % PAA. These observations point to the feasibility of forming hydrogels at lower temperatures and pressures using novel nanofluids as opposed to using the pure polymer. As a result, the ability to tune the structures and morphologies of these fluids expands the potential applications of these fluids in a wide range of subsurface environments.

03 NATURAL GAS↗
NASA NTRS1989

Relations between the photospheric magnetic field and the emission from the outer atmospheres of cool stars. I - The solar Ca II K line core emission

Observations of a solar active region complex and its surroundings are used to establish a quantitative relation between the Ca II K line core intensity and magnetic flux density. The Ca II K line core intensity is transformed to a Ca II H + K line core flux density to facilitate a comparison of solar and stellar data. A new absolute calibration for the Mount Wilson Ca II H + K fluxes for G-type dwarfs is derived. The minimum Ca II K flux, found in the centers of supergranulation cells in quiet regions on the sun, is identical to the minimum flux that is observed for solar-type stars. An expression is presented for the nonlinear trend between the Ca II H + K line core excess flux density and the absolute value of the magnetic flux density. Models that explain the nonlinearity of the mean trend and the large intrinsic scatter about it are discussed. The solar data define a relation that is similar to the relation between stellar hemisphere-average magnetic flux densities and Ca II H + K excess flux densities.

Schrijver, C. J.↗
DOE OSTI2025

Electronic Configurational Transformation of Network Modifiers in Aluminate Glass above Megabar Pressures

Electronic responses of glasses under extreme pressures differ from those of crystalline analogs. Their distinct electronic environments are found in network formers with well-defined, covalent-bonded coordination environments (e.g., [4] Si and [4] Al) and in network modifiers with more disordered, ionic-bonded configurations (e.g., [5,6,7] Ca). Deciphering the evolution of the bonding environment of network modifier cations upon compression provides atomic insights into the pressure-driven hardening and transport properties of glasses. Despite the importance, in contrast to extensive efforts to uncover how network formers behave under pressure, considerable structural disorder around network modifiers makes it challenging to probe their electronic bonding environments under compression. Our understanding of the evolution of network modifiers above megabars is currently absent. Here, we report a discovery of highly densified electronic configurations of network modifier Ca in aluminate glass under extreme compression via the first inelastic X-ray scattering at the Ca L-edge up to 140 GPa. As evidenced by the prominent pressure-driven increases in electronic dispersion and delocalization, densified calcium environments are characterized by a decreased average Ca–O distance, the formation of highly coordinated calcium, a broader distribution of topological variables, and a greater distortion of Ca polyhedra above megabars. The spectral features for the Ca environments reveal significant electronic and bonding modifications, including pressure-driven increases in the ligand field interaction, the covalence characteristic of the Ca–O bond, and the electron–hole Coulomb interaction. These densification paths identify the electronic adaptation of network modifiers above megabars, shedding light on the origins of enhanced electron transport and the electron-storing capacity of glasses under pressure.

amorphous materials↗
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 OSTI2026

Exotic Uses of Neutrons an X-rays as Probes for Chiral Magnets (Early Career Award) (Final Report)

This is the final report for Exotic Uses of Neutrons an X-rays as Probes for Chiral Magnets, an Early Career award to Prof. Dustin Gilbert, University of Tennessee, running 09/01/2020 - 08/31/2025. This project used neutron scattering as a unique tool to investigate magnetic chiral structures. Neutron scattering is a powerful technique in which the neutron wavepacket scatters from nuclear or magnetic structures, providing insight into the structure of a material and its magnetic features. In this work, we focused on chiral magnetic structures. Most magnetic materials are colinear ferro- or antiferromagnets, where the spin moments align parallel or anti-parallel with their neighbors. In some materials, the magnetic moments instead curl and can form closed loops. These structures, with the additional feature that the core and perimeter are oriented in opposite out-of-plane directions, exhibit a property called topology; these structures are known as skyrmions. Topology is a broadly used term, but here it refers to a magnetic configuration that cannot be created or destroyed through any continuous transformation. For these looped structures, the closed loop cannot be destroyed continuously, giving rise to unique properties such as collective dynamics and particle-like behavior. This also raises fundamental questions about how such structures form and evolve.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Birth of a Data Center

Since 2005, Research and Education Campus serves as the gateway to INL University Boulevard Consolidates scientific studies, increased interaction and educational opportunities Teams with local commercial developers, the State of Idaho, and Idaho universities Developed University Boulevard 7 major R&D Leased facilities (388,000 sq. ft.) $122M capital value of leased property Some facilities are at and others forecasted to exceed capacity within 2-3 years as mission growth continues DOE awarded the INL contract to BEA, Feb. 2005. Purpose; transform two uniquely different National Laboratories into the newly formed Idaho National Laboratory Become the pre-eminent, internationally recognized nuclear energy research, development and demonstration laboratory within 10 years. Aggressively streamline, upgrade and plan for new infrastructure INL Infrastructure Transformation Plan, Sept 2005, an overall roadmap for transforming INL to meet the new vision. Key goal; procure 400,000 sq ft of new facility space DOE-NE approved Mission Need document for consolidating the INL Research and Education Campus (REC), Dec. 2005; add or replace 200,000 to 500,000 sq ft of professional scientific space, existing facilities were fair to poor condition. Master Campus Plan requirements document and Environmental Assessment approved January and March 2007 respectively. Defined campus location and REC boundaries. INL and DOE-ID decided, in 2007, to suspend quest for third-party financing, because unlikely to succeed. The strategy was; Keep original target of 200,000 to 500,000 sq ft new space Consolidate existing scattered leases Pursue developer-financed facilities in smaller incremental sizes All leased general purpose buildings;No DOE capital investments (except for utility corridor), developed by others (local developers, State, University, private funding), no government land involved INL-funded tenant improvements

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Celestial dual superconformal symmetry, MHV amplitudes and differential equations

Celestial and momentum space amplitudes for massless particles are related to each other by a change of basis provided by the Mellin transform. Therefore properties of celestial amplitudes have counterparts in momentum space amplitudes and vice versa. In this paper, we study the celestial avatar of dual superconformal symmetry of $\mathcal{N}$ = 4 Yang-Mills theory. We also analyze various differential equations known to be satisfied by celestial n-point tree-level MHV amplitudes and identify their momentum space origins.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A Recipe for a Great Meal: A Benchtop Route from Elemental Se to Superior Thermoelectric β-Ag 2 Se

The low-temperature modification of β-Ag 2 Se has proven to be useful as a near-room-temperature thermoelectric material. Over the past years, research has been devoted to interstitial, vacancy, and substitutional doping into the parent β-Ag 2 Se structure, aiming at tuning the material’s charge and heat transport properties to enhance thermoelectric performance. The transformation of β-Ag 2 Se into α-Ag 2 Se at ~134 °C and the low solubility of dopants are the main obstacles for the doping approach. Herein, we report a facile, safe, scalable, and cost-effective benchtop approach to successfully produce metal-doped β-Ag 2 Se. The doped materials display a remarkable enhancement of thermoelectric performance with a record-high peak zT of 1.30 at 120 °C and an average zT of ~1.15 in the 25–120 °C range for 0.2 at. % Zn-doped Ag 2 Se. The enhancement in zT is attributed to point defects created by Zn doping into Ag vacancies/interstitials, which enhances the scattering of phonons and tunes the charge carrier properties, leading to the significant suppression of thermal conductivity. In conclusion, the simplicity of the synthetic method developed herein and the high performance of the final products provide an avenue to produce high-quality Ag 2 Se-based thermoelectric materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Field measurements of trace gases emitted by prescribed fires in southeastern U.S. pine forests using an open-path FTIR system

We report trace-gas emission factors from three pine-understory prescribed fires in South Carolina, U.S. measured during the fall of 2011. The fires were an attempt to simulate high-intensity burns and the fuels included mature pine stands not frequently subjected to prescribed fire that were lit following a sustained period of drought. In this work we focus on the emission factor measurements made using a fixed open-path gas analyzer Fourier transform infrared (FTIR) system. We compare these emission factors with those measured using a roving, point sampling, land-based FTIR and an airborne FTIR that were deployed on the same fires. We also compare to emission factors measured by a similar open-path FTIR system deployed on savanna fires in Africa. The data suggest that the method in which the smoke is sampled can strongly influence the relative abundance of the emissions that are observed. The airborne FTIR probed the bulk of the emissions, which were lofted in the convection column and the downwind chemistry while the roving ground-based point sampling FTIR measured the contribution of individual residual smoldering combustion fuel elements scattered throughout the burn site. The open-path FTIR provided a fixed path-integrated sample of emissions produced directly upwind mixed with emissions that were redirected by wind gusts, or right after ignition and before the adjacent plume achieved significant vertical development. It typically probed two distinct combustion regimes, “flaming-like” (immediately after adjacent ignition) and “smoldering-like”, denoted “early” and “late”, respectively. The calculated emission factors from open-path measurements were closer to the airborne than to the point measurements, but this could vary depending on the calculation method or from fire to fire given the changing MCE and dynamics over the duration of a typical burn. The emission factors for species whose emissions are not highly fuel dependent (e.g. CH4 and CH3OH) from all three systems can be plotted versus modified combustion efficiency and fit to a single consistent trend suggesting that differences between the systems for these species may be mainly due to the unique mix of flaming and smoldering that each system sampled. For other more fuel dependent species, the different fuels sampled also likely contributed to platform differences in emission factors. The path-integrated sample of the ground-level smoke layer adjacent to the fire provided by the open-path measurements is important for estimating fire-line exposure to smoke for wildland fire personnel. We provide a table of estimated fire-line exposures for numerous known air toxics based on synthesizing results from several studies. Our data suggest that peak exposures are more likely to challenge permissible exposure limits for wildland fire personnel than shift-average exposures.

Akagi, Sheryl↗
DOE OSTI2014

Strömgren survey for asteroseismology and galactic archaeology: Let the saga begin

Asteroseismology has the capability of precisely determining stellar properties that would otherwise be inaccessible, such as radii, masses, and thus ages of stars. When coupling this information with classical determinations of stellar parameters, such as metallicities, effective temperatures, and angular diameters, powerful new diagnostics for Galactic studies can be obtained. The ongoing Strömgren survey for Asteroseismology and Galactic Archaeology has the goal of transforming the Kepler field into a new benchmark for Galactic studies, similar to the solar neighborhood. Here we present the first results from a stripe centered at a Galactic longitude of 74° and covering latitude from about 8° to 20°, which includes almost 1000 K giants with seismic information and the benchmark open cluster NGC 6819. We describe the coupling of classical and seismic parameters, the accuracy as well as the caveats of the derived effective temperatures, metallicities, distances, surface gravities, masses, and radii. Confidence in the achieved precision is corroborated by the detection of the first and secondary clumps in a population of field stars with a ratio of 2 to 1 and by the negligible scatter in the seismic distances among NGC 6819 member stars. An assessment of the reliability of stellar parameters in the Kepler Input Catalog is also performed, and the impact of our results for population studies in the Milky Way is discussed, along with the importance of an all-sky Strömgren survey.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2018

Validation of Ozone Profile Retrievals Derived from the OMPS LP Version 2.5 Algorithm Against Correlative Satellite Measurements

The Limb Profiler (LP) is a part of the Ozone Mapping and Profiler Suite launched on board of the Suomi NPP satellite in October 2011. The LP measures solar radiation scattered from the atmospheric limb in ultraviolet and visible spectral ranges between the surface and 80 km. These measurements of scattered solar radiances allow for the retrieval of ozone profiles from cloud tops up to 55 km. The LP started operational observations in April 2012. In this study we evaluate more than 5.5 years of ozone profile measurements from the OMPS LP processed with the new NASA GSFC version 2.5 retrieval algorithm. We provide a brief description of the key changes that had been implemented in this new algorithm, including a pointing correction, new cloud height detection, explicit aerosol correction and a reduction of the number of wavelengths used in the retrievals. The OMPS LP ozone retrievals have been compared with independent satellite profile measurements obtained from the Aura Microwave Limb Sounder (MLS), Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) and Odin Optical Spectrograph and InfraRed Imaging System (OSIRIS). We document observed biases and seasonal differences and evaluate the stability of the version 2.5 ozone record over 5.5 years. Our analysis indicates that the mean differences between LP and correlative measurements are well within required +/- 10% between 18 and 42 km. In the upper stratosphere and lower mesosphere (>43 km) LP tends to have a negative bias. We find larger biases in the lower stratosphere and upper troposphere, but LP ozone retrievals have significantly improved in version 2.5 compared to version 2 due to the implemented aerosol correction. In the northern high latitudes we observe larger biases between 20 and 32 km due to the remaining thermal sensitivity issue. Our analysis shows that LP ozone retrievals agree well with the correlative satellite observations in characterizing vertical, spatial and temporal ozone distribution associated with natural processes, like the seasonal cycle and quasi-biennial oscillations. We found a small positive drift approx. 0.5%/yr in the LP ozone record against MLS and OSIRIS that is more pronounced at altitudes above 35 km. This pattern in the relative drift is consistent with a possible 100m drift in the LP sensor pointing detected by one of our altitude-resolving methods.

Ozone Mapping↗
NASA NTRS2006

Two Point Space-Time Correlation of Density Fluctuations Measured in High Velocity Free Jets

Two-point space-time correlations of air density fluctuations in unheated, fully-expanded free jets at Mach numbers M(sub j) = 0.95, 1.4, and 1.8 were measured using a Rayleigh scattering based diagnostic technique. The molecular scattered light from two small probe volumes of 1.03 mm length was measured for a completely non-intrusive means of determining the turbulent density fluctuations. The time series of density fluctuations were analyzed to estimate the integral length scale L in a moving frame of reference and the convective Mach number M(sub c) at different narrow Strouhal frequency (St) bands. It was observed that M(sub c) and the normalized moving frame length scale L*St/D, where D is the jet diameter, increased with Strouhal frequency before leveling off at the highest resolved frequency. Significant differences were observed between data obtained from the lip shear layer and the centerline of the jet. The wave number frequency transform of the correlation data demonstrated progressive increase in the radiative part of turbulence fluctuations with increasing jet Mach number.

Panda, Jayanta↗
NASA NTRS2011

Quantifying the Aerosol Semi-Direct Effect in the NASA GEOS-5 AGCM

Aerosols such as black carbon, dust, and some organic carbon species both scatter and absorb incoming solar radiation. This direct aerosol radiative forcing (DARF) redistributes solar energy both by cooling the surface and warming the atmosphere. As a result, these aerosols affect atmospheric stability and cloud cover (the semi-direct effect, or SDE). Furthermore, in regions with persistent high loadings of absorbing aerosols (e.g. Asia), regional circulation patterns may be altered, potentially resulting in changes in precipitation patterns. Here we investigate aerosol-climate coupling using the NASA Goddard Earth Observing System model version 5 (GEOS-5) atmospheric general circulation model (AGCM), in which we have implemented an online version of the Goddard Chemistry, Aerosol, Radiation and Transport (GOCART) model. GOCART includes representations of the sources, sinks, and chemical transformation of externally mixed dust, sea salt, sulfate, and carbonaceous aerosols. We examine a series of free-running ensemble climate simulations of the present-day period (2000-2009) forced by observed sea surface temperatures to determine the impact of aerosols on the model climate. The SDE and response of each simulation is determined by differencing with respect to the control simulation (no aerosol forcing). In a free-running model, any estimate of the SDE includes changes in clouds due both to atmospheric heating from aerosols and changes in circulation. To try and quantify the SDE without these circulation changes we then examine the DARF and SDE in GEOS-5 with prescribed meteorological analyses introduced by the MERRA analysis. By doing so, we are able to examine changes in model clouds that occur on shorter scales (six hours). In the GEOS-5 data assimilation system (DAS), the analysis is defined as the best estimate of the atmospheric state at any given time, and it is determined by optimally combining a first-guess short-term GCM forecast with all available observations. The Incremental Analysis Update (IAU) is added to the model forecast tendencies to align them with the analysis every six hours, thus preventing longer timescale feedbacks due to the aerosol forcing. We calculate the SDE by comparing model runs with and without aerosols, and the difference in the IAU between these runs is a useful metric with which to evaluate the impact of the SDE on the model atmosphere and clouds. Decreasing the IAU indicates that the aerosol direct and semi-direct effects act to reduce the bias between the model and observations and vice versa.

Randles, Cynthia A.↗
DOE OSTI2025

Developing a Nuclear Quality Assurance Compliant Design Methodology for Neutronic Analysis of Xe-100 Design

The primary objective of this work is to develop a design methodology compliant with nuclear quality assurance standards for the Xe-100 neutronic design verification studies. To achieve this, a Monte Carlo model of the Xe-100 reactor was constructed using the exclusion principle, transformation technique, and universe-based level specification following Idaho National Laboratory (INL) NQA level-1 compliant standards and an NQA-1 compliant version of MCNP6. The model encompasses the entire reactor core structures, including the upper plenum, core region, and lower plenum sections, along with all sub-components. The active core section was represented using the spectral regions, each comprising a particular fuel composition and temperature averaged over the considered zone, calculated by X-energy using Very Superior Old Programs (VSOP). Additionally, a component-wise temperature map was implemented into the model, not only for the core region but also for the structural components. Temperature-dependent cross-section libraries, along with thermal scattering law libraries, generated using INL NQA-1 compliant version of NJOY21, were utilized for each isotope in the burnt fuel and the structural materials. Furthermore, the volume of each modeled component was estimated using a stochastic approach with the ray tracing method in MCNP and criticality calculations were performed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗