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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties

As a planar subunit of C 60 -fullerene, truxene (C 27 H 18 ) represents a highly symmetrical rigid hydrocarbon with strong blue emission. Herein, we used truxene as a model to investigate the chemical reactivity of a fullerene fragment with alkali metals. Monoanion, dianion, and trianion products with different alkali metal counterions were crystallized and fully characterized, revealing the core curvature dependence on charge and alkali metal coordination. Moreover, a proton nuclear magnetic resonance study coupled with computational analysis demonstrated that deprotonation of the aliphatic CH 2 segments introduces aromaticity in the five-membered rings. Importantly, the UV-vis absorption and photoluminescence of truxenyl anions with different charges reveal intriguing charge-dependent optical properties, implying variation of the electronic structure based on the deprotonation process. An increase in aromaticity and π-conjugation yielded a red shift in the absorption and photoluminescent spectra; in particular, large Stokes shifts were observed in the truxenyl monoanion and dianion with high emission quantum yield and time of decay. Overall, stepwise deprotonation of truxene provides the first crystallographically characterized examples of truxenyl anions with three different charges and charge-dependent optical properties, pointing to their potential applications in carbon-based functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Revealing the role of redox reaction selectivity and mass transfer in current–voltage predictions for ensembles of photocatalysts

Photocatalysts are conceptually simple reaction units where nanoscale semiconductors integrated with catalysts drive a pair of redox reactions on illumination. However, the proximity of reaction sites performing cathodic and anodic reactions poses dire challenges to realize large light-to-fuel conversion efficiencies. In this study, a powerful, yet straightforward, equivalent-circuit detail-balance modeling framework is developed and applied to evaluate the performance of photocatalytic systems featuring multiple light absorbers. Specifically, low bandgap iridium-doped strontium titanate is modeled as a Z-scheme photocatalyst to achieve desirable hydrogen evolution and iron-based redox shuttle oxidation reactions. Our model has unique capabilities to simulate competing redox reactions and address mass-transfer limitations. In a significant departure from state-of-the-art circuit models, our study develops tools to perform load-line analyses by incorporating a net electrochemical load curve that includes both desired and competing redox reactions. Consequently, reaction selectivity is predicted from equivalent circuit models for photocatalytic and photoelectrochemical systems. Our investigation into ensembles comprised of multiple, semi-transparent light absorbers reveals their potential to outperform a single, optically thick light absorber, particularly when operated under mass-transfer-limited conditions. However, this outcome hinges on minimizing mass-transfer rates of select redox species to prevent undesired reactions of hydrogen oxidation and/or redox shuttle reduction. Our findings demonstrate that reaction selectivity can be achieved by tuning asymmetry in redox species mass-transfer even with perfectly symmetric electrocatalytic charge-transfer coefficients. The influences of various kinetic, mass-transfer, and thermodynamic parameters are explored to offer crucial insights for synthesis of the next-generation of photocatalysts and selective coatings, and reactor designs.

25 ENERGY STORAGE↗
DOE OSTI2025

Metal ion dopant-induced famatinite to chalcostibite phase transformation of copper antimony sulphide colloidal nanostructures: effect on photophysical and pseudocapacitance properties

Here, the strategic doping of transition metal ions into copper antimony sulphide (CAS) semiconducting nanostructures can significantly influence their photophysical and pseudocapacitive properties, for which there are few reports and therefore is the focus of this study. Accordingly, highly crystalline metal ion (Mn 2+ , Fe 2+ , Co 2+ , Ni 2+ and Zn 2+ ) doped off-stoichiometric copper rich/poor, antimony-rich/poor, and sulphur-poor CAS nanostructures (10–23 nm) were grown via colloidal (hot-injection) synthesis using metal diethyldithiocarbamate precursors. Importantly, metal ion doping significantly influences the structure and composition of the off-stoichiometric CAS nanostructures. Data from powder X-ray diffraction, Raman spectroscopy, high-resolution scanning/transmission electron microscopy, and energy dispersive X-ray spectroscopy confirm that the heavier metal ion dopants induce a novel phase transformation from famatinite (fCAS) to chalcostibite (cCAS) nanostructures. The influence of the metal ion dopants is also observed in the optical properties of as-synthesized nanostructures. This involves blue-shifted ultraviolet-visible absorption, reduced Urbach tailing, and tunable bandgaps between 2.17 and 2.38 eV. Also, the doped nanostructures display broad visible-near infrared photoluminescence via a triple radiative pathway with relatively short decay lifetimes between 0.2 and 6.1 ns. This is mediated by electronic transitions involving intrinsic (copper/antimony/sulphur interstitial) and extrinsic (metal ion interstitial) defect states. Additionally, electrodes prepared from Mn 2+ -doped fCAS nanostructures show enhanced pseudocapacitance via Na+ surface adsorption and intercalation relative to undoped fCAS electrodes, while Zn 2+ -doped cCAS electrodes exhibit pseudocapacitance via a combination of Na+ surface adsorption, intercalation, and redox reactions. These electrodes exhibit reduced charge transfer resistance, improved electronic conductivity and notably enhanced specific capacitance (∼222 F g −1 ), and charge transport, as measured in 1 M Na 2 SO 4 electrolyte via cyclic voltammetry and electrochemical impedance spectroscopy. To this end, the discovery of the metal ion-induced phase transformation presents a new avenue for optimizing the functional properties of fCAS and cCAS nanostructures, highlighting the critical role of metal ion-related defects in controlling the optical and electrochemical properties, towards potential solar absorption and energy storage applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Quantifying Stern layer water alignment before and during the oxygen evolution reaction

While water’s oxygen is the electron source in the industrially important oxygen evolution reaction, the strong absorber problem clouds our view of how the Stern layer water molecules orient themselves in response to applied potentials. Here, we report nonlinear optical measurements on nickel electrodes held at pH 13 indicating a disorder-to-order transition in the Stern layer water molecules before the onset of Faradaic current. A full water monolayer (1.1 × 10 15 centimeter −2 ) aligns with oxygen atoms pointing toward the electrode at +0.8 volt and the associated work is 80 kilojoule per mole. Our experiments identify water flipping energetics as a target for understanding overpotentials, advance molecular electrochemistry, provide benchmarks for electrical double layer models, and serve as a diagnostic tool for understanding electrocatalysis.

Science & Technology - Other Topics↗
DOE OSTI2021

Measuring Nd(III) Solution Concentration in the Presence of Interfering Er(III) and Cu(II) Ions: A Partial Least Squares Analysis of Ultraviolet–Visible Spectra

Optical spectroscopy is a powerful characterization tool with applications ranging from fundamental studies to real-time process monitoring. However, it can be difficult to apply to complex samples that contain interfering analytes which are common in processing streams. Multivariate (chemometric) analysis has been examined for providing selectivity and accuracy to the analysis of optical spectra and expanding its potential applications. Here we will discuss chemometric modeling with an in-depth comparison to more simplistic analysis approaches and outline how chemometric modeling works while exploring the limits on modeling accuracy. Understanding the limitations of the chemometric model can provide better analytical assessment regarding the accuracy and precision of the analytical result. This will be explored in the context of UV–Vis absorbance of neodymium (Nd 3+ ) in the presence of interferents, erbium (Er 3+ ) and copper (Cu 2+ ) under conditions simulating the liquid–liquid extraction approach used to recycle plutonium (Pu) and uranium (U) in used nuclear fuel worldwide. Finally, the selected chemometric model, partial least squares regression, accurately quantifies Nd 3+ with a low percentage error in the presence of interfering analytes and even under conditions that the training set does not describe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The Tidal Clock Effects of the Lunisolar Gravitational Field and the Earth’s Tidal Deformation

State-of-the-art atomic and optical clocks have the great potential to precisely test fundamental physical assumptions and enhance our understanding of nature. Their widespread applications require us to rigorously deduce the relativistic frequency shift in the framework of general relativity. One interesting question for clocks is tidal field effect which contains variously periodic variations. By introducing tidally deformed Earth, the general algorithms for clock and frequency comparisons are derived. We investigate the effects of external gravitational bodies and Earth’s tidal deformation on the ground- and space-based clocks. The orbital elements of satellite and locations of laboratory are introduced for corresponding clocks, in which the secular and long-period terms and short-period terms are subsequently presented. These effects called tidal clock effects produce the non-negligible contributions in the modern clock experiments and can be directly evaluated from our parameterized formulas. In addition, we also demonstrate for tidal clock effects the position and distance dependences, as well as periodicity. These tidal effects and dependences can provide valuable information for the clock comparison experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Steady-state mixing state of black carbon aerosols from a particle-resolved model

Abstract. Black carbon (BC) exerts a notable warming effect due to its strong light absorption, largely influenced by its “mixing state”. However, due to computational constraints, the mixing state is challenging to accurately represent in large-scale models. In this study, we employ a particle-resolved model to simulate the evolution of BC mixing state based on field observation. Our result shows that aerosol compositions, coating thickness (CT) distribution, and optical properties of BC aerosols all exhibit a tendency toward a steady state with a characteristic timescale of less than 1 d, considerably shorter than the BC atmospheric lifetime. The rapid attainment of a steady state suggests that it is reasonable to disregard this pre-steady-state period and instead concentrate on the average properties of BC across extensive spatial and temporal scales. The distribution of CT follows an exponential linear distribution and can be characterized by a single slope parameter k. This distribution is independent of the BC core's distribution. In the model simulation, the mean CT, equivalent to the 1/k, is 62 nm, which is consistent with the statistical results indicating a mean CT of 63 nm. Utilizing the slope parameter k, which effectively characterizes the CT distribution under the steady-state simplifying assumption, the BC absorption enhancement closely corresponds to the results obtained via the particle-resolved method. This study simplifies the BC mixing state description and yields a precise evaluation of the BC optical properties, which has the potential utility for modeling efforts in the refinement of the assessment of BC's radiative effects.

Zhang, Zhouyang↗
NASA NTRS1980

Conceptual design study of a visual system for a rotorcraft simulator and some advances in platform motion utilization

A conceptual design of a visual system for a rotorcraft flight simulator is presented. Also, drive logic elements for a coupled motion base for such a simulator are given. The design is the result of an assessment of many potential arrangements of electro-optical elements and is a concept considered feasible for the application. The motion drive elements represent an example logic for a coupled motion base and is essentially an appeal to the designers of such logic to combine their washout and braking functions.

Sinacori, J. B.↗
NASA NTRS1984

Acceleration of barium ions near 8000 km above an aurora

A barium shaped charge, named Limerick, was released from a rocket launched from Poker Flat Research Range, Alaska, on March 30, 1982, at 1033 UT. The release took place in a small auroral breakup. The jet of ionized barium reached an altitude of 8100 km 14.5 min after release, indicating that there were no parallel electric fields below this altitude. At 8100 km the jet appeared to stop. Analysis shows that the barium at this altitude was effectively removed from the tip. It is concluded that the barium was actually accelerated upward, resulting in a large decrease in the line-of-sight density and hence the optical intensity. The parallel electric potential in the acceleration region must have been greater than 1 kV over an altitude interval of less than 200 km. The acceleration region, although presumably auroral in origin, did not seem to be related to individual auroral structures, but appeared to be a large-scale horizontal structure. The perpendicular electric field below, as deduced from the drift of the barium, was temporally and spatially very uniform and showed no variation related to individual auroral structures passing through.

Stenbaek-Nielsen, H. C.↗
NASA NTRS1984

Electron mobility in modulation-doped heterostructures

A model for electron mobility in a two-dimensional electron gas confined in a triangular well was developed. All major scattering processes (deformation potential and piezoelectric acoustic, polar optical, ionized impurity, and alloy disorder) were included, as well as intrasubband and intersubband scattering. The model is applied to two types of modulation-doped heterostructures, namely GaAs-GaAlAs and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As. In the former case, phonons and remote ionized impurities ultimately limit the mobility, whereas in the latter, alloy disorder is a predominant scattering process at low temperatures. The calculated mobilities are in very good agreement with recently reported experimental characteristics for both GaAs-Ga(1-x)Al(x)As and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As modulation-doped heterostructures.

Walukiewicz, W.↗
NASA NTRS1989

Spatial characterization of acid rain stress in Canadian Shield Lakes

The lake acidification in Northern Ontario was investigated using LANDSAT TM to sense lake volume reflectance and also to provide important vegetation and terrain characteristics. The purpose of this project was to determine the ability of LANDSAT to assess water quality characteristics associated with lake acidification. Results demonstrate that a remote sensor can discriminate lake clarity based upon reflection. The basic hypothesis is that seasonal and multi-year changes in lake optical transparency are indicative of sensitivity to acidic deposition. In many acid-sensitive lakes optical transparency is controlled by the amount of dissolved organic carbon present. Seasonal changes in the optical transparency of lakes can potentially provide an indication of the stress due to acid deposition and loading.

Tanis, F. J.↗
NASA NTRS1991

Development of a laser-induced heat flux technique for measurement of convective heat transfer coefficients in a supersonic flowfield

A technique is developed to measure the local convective heat transfer coefficient on a model surface in a supersonic flow field. The technique uses a laser to apply a discrete local heat flux at the model test surface, and an infrared camera system determines the local temperature distribution due to heating. From this temperature distribution and an analysis of the heating process, a local convective heat transfer coefficient is determined. The technique was used to measure the load surface convective heat transfer coefficient distribution on a flat plate at nominal Mach numbers of 2.5, 3.0, 3.5, and 4.0. The flat plate boundary layer initially was laminar and became transitional in the measurement region. The experimental results agreed reasonably well with theoretical predictions of convective heat transfer of flat plate laminar boundary layers. The results indicate that this non-intrusive optical measurement technique has the potential to obtain high quality surface convective heat transfer measurements in high speed flowfields.

Porro, A. Robert↗
NASA NTRS1991

High data rate systems for the future

Information systems in the next century will transfer data at rates that are much greater than those in use today. Satellite based communication systems will play an important role in networking users. Typical data rates; use of microwave, millimeter wave, or optical systems; millimeter wave communication technology; modulators/exciters; solid state power amplifiers; beam waveguide transmission systems; low noise receiver technology; optical communication technology; and the potential commercial applications of these technologies are discussed.

Chitwood, John↗
NASA NTRS1991

A laser-induced heat flux technique for convective heat transfer measurements in high speed flows

A technique is developed to measure the local convective heat transfer coefficient on a model surface in a supersonic flow field. The technique uses a laser to apply a discrete local heat flux at the model test surface, and an infrared camera system determines the local temperature distribution due to the heating. From this temperature distribution and an analysis of the heating process, a local convective heat transfer coefficient is determined. The technique was used to measure the local surface convective heat transfer coefficient distribution on a flat plate at nominal Mach numbers of 2.5, 3.0, 3.5, and 4.0. The flat plate boundary layer initially was laminar and became transitional in the measurement region. The experimentally determined convective heat transfer coefficients were generally higher than the theoretical predictions for flat plate laminar boundary layers. However, the results indicate that this nonintrusive optical measurement technique has the potential to measure surface convective heat transfer coefficients in high speed flow fields.

Porro, A. R.↗
NASA NTRS1991

Cooling flows and the formation of massive halos in cD galaxies

X-ray brightness profiles of galaxy clusters frequently indicate the presence of a hot gaseous envelope, and theoretical models predict that numerous low-mass stars will be formed as these gaseous halos cool and contract toward the center of the cluster potential. In this Letter, the optical surface brightness profiles of the halos seen in six cooling flow galaxies are modeled, and it is concluded that the optical profiles and mass-to-light ratios are consistent with the cooling flow accretion hypothesis.

Prestwich, Andrea H.↗
NASA NTRS1990

Study of mid IR fiber transmission and mode patterns under laser induced stimulated Brillouin scattering

Mid IR fiber transmission and exit radiation mode patterns at various incident CO2 laser power levels appear to be effective diagnostic tools for monitoring laser induced stimulated Brillouin scattering in various mid IR fibers. Such processes are deemed to be essential mechanisms for fiber-optic amplifiers and switches as potential replacements of current repeaters and bistable devices.

Yu, C.↗
NASA NTRS1991

Digital image profilers for detecting faint sources which have bright companions, phase 2

A breadboard image profiling system developed for the first phase of this project demonstrated the potential for detecting extremely faint optical sources in the presence of light companions. Experimental data derived from laboratory testing of the device supports the theory that image profilers of this type may approach the theoretical limit imposed by photon statistics. The objective of Phase 2 of this program is the development of a ground-based multichannel image profiling system capable of detecting faint stellar objects slightly displaced from brighter stars. We have finalized the multichannel image profiling system and attempted three field tests.

Morris, Elena↗
NASA NTRS1992

Development of electrostrictive ceramic motor actuators

Electrostriction, which exists in all materials, exhibits many potential applications in electronic and optically controlled systems. Few materials, however, possess electrostrictive effects large enough to be of practical usefulness. The development of materials with high electrostrictive coefficients has been a major impetus of much research in this area. The Pb(x)Ba(1 - x)(Zr(y)Ti(1 - y))O3 (PBZT) ceramic system appears to be a very promising candidate because of the electrostrictive coefficients, Q(sub 11) and Q(sub 12), are among the highest discovered today. In this paper, we describe the preparation and sintering of the PBZT(73/37) ceramic, and the effect of some sintering conditions on sintered samples. The results on the measurement of the electrostrictive and related properties are presented. In addition, a brief discussion of characteristics of PBZT ceramics is provided.

Gene H. Haertling↗