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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine

The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated potential energy surfaces, which are characterized by different dominant intramolecular interactions: type I conformers are stabilized by hydrogen bonds of the type N–H···O=C, type II by a strong O–H···N hydrogen bond, type III by weak N–H···O–H hydrogen bonds, and type IV by a C=O···H–C contact. The calculations indicate also that entropic effects are relevant in determining the equilibrium populations of the conformers of PG in the gas phase, in particular in the case of conformers of type II, where the strong intramolecular O–H···N hydrogen bond considerably diminishes entropy by reducing the conformational mobility of the molecule. In consonance with the relative energies of the conformers and barriers for conformational interconversion, only 3 conformers of PG were observed for the compound isolated in cryogenic Ar, Xe, and N{sub 2} matrices: the conformational ground state (ICa), and forms ICc and IITa. All other significantly populated conformers existing in the gas phase prior to deposition convert either to conformer ICa or to conformer ICc during matrix deposition. The experimental observation of ICc had never been achieved hitherto. Narrowband near-IR irradiation of the first overtone of νOH vibrational mode of ICa and ICc in nitrogen matrices (at 6910 and 6930 cm{sup −1}, respectively) led to selective generation of two additional conformers of high-energy, ITc and ITa, respectively, which were also observed experimentally for the first time. In addition, these experiments also provided the key information for the detailed vibrational characterization of the 3 conformers initially present in the matrices. On the other hand, UV irradiation (λ = 255 nm) of PG isolated in a xenon matrix revealed that PG undergoes facile photofragmentation through two photochemical pathways that are favored for different initial conformations of the reactant: (a) decarboxylation, leading to CO{sub 2} plus benzylamine (the dominant photofragmentation channel in PG cis-COOH conformers ICa and ICc) and (b) decarbonylation, with generation of CO plus benzonitrile, H{sub 2}O and H{sub 2} (prevalent in the case of the trans-COOH conformer, IITa)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Resurgence, Painlevé equations and conformal blocks

We discuss some physical consequences of the resurgent structure of Painlevé equations and their related conformal block expansions. Here, the resurgent structure of Painlevé equations is particularly transparent when expressed in terms of physical conformal block expansions of the associated tau functions. Resurgence produces an intricate network of inter-relations; some between expansions around different critical points, others between expansions around different instanton sectors of the expansions about the same critical point, and others between different non-perturbative sectors of associated spectral problems, via the Bethe-gauge and Painlevé-gauge correspondences. Resurgence relations exist both for convergent and divergent expansions, and can be interpreted in terms of the physics of phase transitions. These general features are illustrated with three physical examples: correlators of the 2d Ising model, the partition function of the Gross–Witten–Wadia matrix model, and the full counting statistics of one dimensional fermions, associated with Painlevé VI, Painlevé III and Painlevé V, respectively.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Development of drive mechanisms for communicaton satellites

A distinguished pedigree is an important asset in the development of Aerospace mechanisms. Four drives recently developed for communication satellites are outgrowths of a previously-proven drive configuration. Pedigree by itself, however is not enough to generate success. Inevitably, design changes which are thought to be minor, are generally introduced to fine tune the pedigreed hardware to meet particular requirements of a specific new application. Such design changes are often viewed too casually and are not thoroughly tested in the early development stages of the program. Two areas of design change are described on the solar array drive applied to the Japanese Broadcast Satellite which led to subsequent problems during the development phase of the program. The methods applied to establish the cause and the solution of these problems are described as well as the testing approach adapted to prevent similar occurrences on the current Communication Satellite Program, The Defense System Communications Satellite III.

Schneider, A. C.↗
NASA NTRS1984

Ultraviolet observations of the Be star Mu Centauri during its recent active phase

IUE and Copernicus ultraviolet observations and ground-based image-tube and direct spectrograms of the pole-on Be star Mu Cen have been combined to investigate the nature of this star's activity during its Balmer emission-line episode of 1980-81. Within the uncertainties of the observations, the UV data show no evidence for a wind, a classical-type shell injection, or a region of superionization, either before, during, or after the active phase. This is contrary to current views on how the circumstellar envelopes in Be stars are produced. The only difference between the UV spectra observed during activity and quiescence was that the lines from the more highly ionized species (e.g., Si III, Si IV, Al III) were slightly stronger and broader when Balmer emission was present. Evidence is presented that the activity most likely resides in or near the photosphere, and that during such active periods the photospheric temperature is higher. The recently discovered nonradial pulsations in Mu Cen (Baade, 1984) may supply the energy. The lack of sharp or broad shell lines in the UV suggests that the Balmer emission envelope is at least somewhat flattened.

Peters, G. J.↗
NASA NTRS2018

Flight-Test Evaluation of Airframe Noise Mitigation Technologies

A series of flight tests targeting airframe noise reduction was planned and executed under the NASA Flight Demonstrations and Capabilities project. The objectives of the tests were two-fold: to evaluate the aeroacoustic performance of several noise reduction technologies in a relevant environment and to generate a comprehensive database for advancing the state of the art in simulation-based airframe noise prediction methodologies. These technologies – an Adaptive Compliant Trailing Edge flap, main landing gear fairings, and gear cavity treatments – were integrated on a NASA Gulfstream G-III aircraft to determine their effectiveness, both on a component-level (individually) and a system-level (combined) basis. With the aircraft flying an approach pattern and the engines set at ground idle, extensive acoustic measurements were acquired using a phased microphone array system. Detailed analyses of the gathered acoustic data clearly demonstrate that significant noise reduction was achieved for the flap and main landing gear components.

Khorrami, Mehdi R.↗
DOE OSTI2015

Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Q{sub x} and Q{sub y} transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S{sub 2} of the Spx towards the Q{sub x} state of the B890, and (iii) the internal conversion from Q{sub x} to Q{sub y} within the B890.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Long-term behaviour of starspots. III - Active longitudes on the long-period RS CVn star HK Lacertae

Thirteen years of photometry were used to study active longitudes on the surface of HK Lacertae. The decaying and forming phenomena of active areas in the years of 1980-1981, 1983-1984, and 1988-1989 are shown. New activity centers suddenly occur near the same orbital phase (0.6) and have lifetimes of several (greater than 6) years. The average rotational period of HK Lac is 24.2852 d; compared to the orbital period of 24.4284 d, this implies a 32 degree/year drift of the active areas on the stellar surface. Two possible interpretations for the period difference are discussed: pseudosynchronism and rigidity of magnetic patterns. The active longitudes on HK Lac are compared with similar phenomena found on the sun.

Olah, K.↗
DOE OSTI2024

Planarizing Spalled GaAs(100) Surfaces by MOVPE Growth

III-V photovoltaic devices have demonstrated exceptional performance across various applications, with controlled crystal fracturing, known as controlled spalling, emerging as a promising method to reduce costs by enabling substrate reuse. Spalling GaAs(100) substrates, a commonly used substrate in III-V photovoltaics, results in faceted ridges that must be planarized to grow high-quality photovoltaic devices. Here, in this study, we demonstrate that a GaAs(100) wafer offcut toward [$0\bar{11}$] and spalled toward [$011$] can be efficiently planarized by growing C:GaAs by metal-organic vapor phase epitaxy (MOVPE) on the surface, with up to 95% of the nominally deposited material used to fill the valleys between ridges. We find that reducing the offcut to 2° enhances the planarizing capability of C:GaAs. A surface morphology model indicates that the density of surface dangling bonds significantly influences the growth evolution of undoped GaAs surfaces. In contrast, the model suggests that the effectiveness of C:GaAs as a smoothing layer stems from modifying the atomic surface structure and, consequently, the associated sticking coefficients of the facets, which can alter the evolution of surface morphology. Our findings provide guidelines for the epitaxial planarization of semiconductor surfaces and improve the understanding of MOVPE growth on nonplanar surfaces.

14 SOLAR ENERGY↗
DOE OSTI2026

Draft ASME Code Case to qualify L-PBF 316H material for Section III, Division 5 applications

This report documents the AMMT program’s development and submission of a draft ASME Code Case to qualify Laser Powder Bed Fusion (L PBF) Type 316H stainless steel for Section III, Divi-sion 5 Class A and SM high temperature nuclear applications. It summarizes the technical basis, the comprehensive high temperature mechanical test database assembled between 2023–2026, and the proposed code language and qualification framework submitted to ASME. The work was co-ordinated across multiple national laboratories and leverages prior ASME efforts to integrate additive manufacturing into the Boiler & Pressure Vessel Code. The body of the report describes the experimental database and analysis supporting the Code Case: tensile, creep, fatigue, creep fatigue, and thermal aging tests collected from multiple additive manufacturing sites, machine types, and powder lots, with material processed by a solution anneal heat treatment. The dataset — including both full size and subsized specimens and tests oriented parallel and perpendicular to build direction — shows limited tensile anisotropy, tensile properties comparable to wrought 316H, creep strength within the scatter of wrought material, but markedly reduced creep ductility above about 650 °C associated with rapid σ phase formation in L PBF microstructures. The draft Code Case itself prescribes a staged qualification model (manufacturing process qualification, component qualification, and per build witness testing), treats L PBF components as equivalent to Type 316 weld metal for design and inspection, and requires mechanical, chemical, and metallographic controls tied to ASTM/ISO 52946. Key acceptance criteria include tensile tests within a 90% prediction interval of the AMMT dataset, a creep fatigue screening test adapted from ASME Section III, Division 5, Subsection HB, HBB 2800 but with the cycle acceptance reduced to 100 for L PBF material, and double volumetric inspection of production components. The report concludes that the present data support treating L PBF 316H as analogous to conventional fusion weld metal for Division 5 design and inspection, while highlighting important caveats: the σ phase driven loss of creep ductility above ~650 °C, preliminary indications of enhanced creep fatigue sensitivity in some lots, and remaining gaps in long term aging and additional cyclic testing. Recommended next actions include completing outstanding cyclic and long duration creep/aging tests on the solution annealed condition, supporting inclusion of the 316H chemistry and heat treatment in ASTM/ISO 52946, and continuing engagement with ASME and NRC during balloting and review to enable industry adoption.

Messner, Mark C. (ORCID:0000000200404385)↗
DOE OSTI2016

Imaging and quantification of spreading and trapping of carbon dioxide in saline aquifers using meter-scale laboratory experiments

The role of capillary forces during buoyant migration of CO 2 is critical toward plume immobilization within the postinjection phase of a geological carbon sequestration operation. However, the inherent heterogeneity of the subsurface makes it very challenging to evaluate the effects of capillary forces on the storage capacity of these formations and to assess in situ plume evolution. To overcome the lack of accurate and continuous observations at the field scale and to mimic vertical migration and entrapment of realistic CO 2 plumes in the presence of a background hydraulic gradient, we conducted two unique long-term experiments in a 2.44 m × 0.5 m tank. X-ray attenuation allowed measuring the evolution of a CO 2 -surrogate fluid saturation, thus providing direct insight into capillarity-dominated and buoyancy-dominated flow processes occurring under successive drainage and imbibition conditions. The comparison of saturation distributions between two experimental campaigns suggests that layered-type heterogeneity plays an important role on nonwetting phase (NWP) migration and trapping, because it leads to (i) longer displacement times (3.6 months versus 24 days) to reach stable trapping conditions, (ii) limited vertical migration of the plume (with center of mass at 39% versus 55% of aquifer thickness), and (iii) immobilization of a larger fraction of injected NWP mass (67.2% versus 51.5% of injected volume) as compared to the homogenous scenario. Finally, while these observations confirm once more the role of geological heterogeneity in controlling buoyant flows in the subsurface, they also highlight the importance of characterizing it at scales that are below seismic resolution (1–10 m).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A pilot-process for calcium hydroxide production from iron slag by low-temperature precipitation

The production of Ca(OH) 2 via thermal decomposition of limestone is an energy intensive process resulting in significant CO 2 emissions. However, if produced in a manner that obviates the need for the thermal decomposition of limestone, Ca(OH) 2 could be a “CO 2 -negative” material. Herein, we design and demonstrate the operation of a continuous, low-temperature (< 100 °C), aqueous-phase pilot-process to produce Ca(OH) 2 using calcium extracted from alkaline industrial wastes. The three-step process encompasses unit operations including: (i) calcium leaching from basic oxygen furnace BOF slag, (ii) leachate concentration by reverse osmosis (RO), and (iii) Ca(OH) 2 precipitation by temperature swing. Here this process presents several advantages compared to the traditional route. First, it advances the recycling of waste from the steel industry. Second, it operates significantly below the temperature used in conventional lime production (900 °C) as it bypasses limestone calcination, responsible for ~65% of the CO 2 emissions from the current process. Thus, the new process has a lower CO 2 footprint and enables the use of industrial waste heat. The mass and energy balances were quantified to reveal that increasing the calcium concentration of the feed solution and the precipitation temperature, decrease the energy demands of the RO step, thereby reducing the process’s overall CO 2 footprint. The pilot system operated continuously and achieved a production rate of nearly 1 kg per day of Ca(OH) 2 with a purity greater than 95 wt%. The average particle size of the precipitates depended on the residence time in the precipitation reactor, demonstrating an ability to produce size-controlled particulates. Importantly, the process achieved full water recirculation/reutilization level indicative of a low-consumable water demand. The outcomes offer new insights and understanding relevant to developing and upscaling low-CO 2 processes for cement, lime, and portlandite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Prediction of Giant Thermoelectric Efficiency in Crystals with Interlaced Nanostructure

We present a theoretical study of the thermoelectric efficiency of “interlaced crystals”, recently discovered in hexagonal-CuInS2 nanoparticles. Interlaced crystals are I–III–VI 2 or II-IV-V 2 tetrahedrally bonded compounds. They have a perfect Bravais lattice in which the two cations have an infinite set of possible ordering patterns within the cation sublattice. The material comprises nanoscale interlaced domains and phases with corresponding boundaries. Here we employ density functional theory and large-scale molecular dynamics calculations based on model classical potentials to demonstrate that the phase and domain boundaries are effective phonon scatterers and greatly suppress thermal conductivity. However, the absence of both structural defects and strain in the interlaced material results in a minimal effect on electronic properties. Here, we predict an increase of thermal resistivity of up to 2 orders of magnitude, which makes interlaced crystals an exceptional candidate for thermoelectric applications.

density functional theory↗
DOE OSTI2018

Bagnold Dunes Campaign Phase 2: Visible/Near-Infrared Reflectance Spectroscopy of Longitudinal Ripple Sands

As part of the Phase 2 Bagnold Dune campaign at Gale Crater, Mars, constraints on the geochemistry, mineralogy, and oxidation state of pristine and disturbed linear sand ripples were made using visible/near–infrared spectral observations for comparison to Phase 1 spectra of the barchan dunes to the north. Spectra acquired by the ChemCam and Mastcam instruments (400–1,000 nm) at four Phase 2 locations revealed similar overall spectral trends between the two regions, but most Phase 2 sands were redder in the visible wavelengths. The majority of targets exhibited lower red/infrared ratios, higher ~530–nm band depths, and higher red/blue ratios than Phase 1 samples, suggesting a greater proportion of redder, fine–grained, ferric sands in Phase 2 samples. Here, this is consistent with the slightly greater proportion of hematite in Phase 2 samples as determined from CheMin analyses of the Ogunquit sands, which may reflect contamination from the surrounding hematite–bearing Murray formation bedrock.

58 GEOSCIENCES↗
DOE OSTI2022

High-pressure structural systematics of dysprosium metal compressed in a neon pressure medium to 182 GPa

Here we present an experimental and theoretical study of dysprosium metal compressed in the soft pressure transmitting medium Ne up to 182 and 300 GPa, respectively. Angle-dispersive x-ray powder diffraction data from each of the high-pressure polymorphs shows anisotropic compression behavior indicating changes to the electron density distribution throughout its polymorphic landscape. We compare the monoclinic (mC4) and orthorhombic (oF16) structures for the collapsed structure for Dy above 82 GPa and verify that the oF16 structure offers a better fit to our data than the previously reported mC4 structure. Further, we have found that the oF16 structure undergoes similar anisotropic compression of its lattice parameters, with a turning point above 160 GPa; suggesting a potential phase transition at pressures much higher than achieved in this study. Density functional theory calculations show the likely candidate for this new high-pressure phase is the isosymmetric oF8 structure, which is predicted to be lower in energy than the oF16 structure above 275 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Active Galactic Nuclei with a Low-metallicity Narrow-line Region

Low-metallicity active galactic nuclei (AGNs) are interesting to study for the early phase of AGN evolution. However, most AGNs are chemically matured, and accordingly, low-metallicity AGNs are extremely rare. One approach to search for low-metallicity AGNs systematically is utilizing the so-called BPT diagram that consists of the [O iii]λ5007/Hβ λ4861 and [N ii]λ6584/Hα λ6563 flux ratios. Specifically, photoionization models predict that low-metallicity AGNs show a high [O iii]λ5007/Hβλ4861 ratio and a relatively low [N ii]λ6584/Hαλ6563 ratio that corresponds to the location between the sequence of star-forming galaxies and that of usual AGNs on the BPT diagram (hereafter “the BPT valley”). However, other populations of galaxies such as star-forming galaxies and AGNs with a high electron density or a high-ionization parameter could be also located in the BPT valley, not only low-metallicity AGNs. In this paper, we examine whether most of the emission-line galaxies at the BPT valley are low-metallicity AGNs or not. We select 70 BPT-valley objects from 212,866 emission-line galaxies obtained by the Sloan Digital Sky Survey. Among the 70 BPT-valley objects, 43 objects show firm evidence of the AGN activity, i.e., the He ii λ4686 emission and/or weak but significant broad Hα emission. Our analysis shows that those 43 BPT-valley AGNs are not characterized by a very high gas density nor ionization parameter, inferring that at least 43 among 70 BPT-valley objects (i.e., >60%) are low-metallicity AGNs. This suggests that the BPT diagram is an efficient tool to search for low-metallicity AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Exciter For X-Band Transmitter And Receiver

Report describes developmental X-band exciter for X-band uplink subsystem of Deep Space Network. X-band transmitter-exciting signal expected to have fractional frequency stability of 5.2 X 10 to negative 15th power during 1,000-second integration period. Generates coherent test signals for S- and X-band Block III translator of Deep Space Network, Doppler-reference signal for associated Doppler-extractor system, first-local-oscillator signal for associated receiver, and reference signal for associated ranging subsystem. Tests of prototype exciter show controlling and monitoring and internal phase-correcting loops perform according to applicable design criteria. Measurements of stability of frequency and of single-sideband noise spectral density of transmitter-exciting signal made subsequently.

Johns, Carl E.↗
NASA NTRS2017

A Ground-Based Study on Extruder Standoff Distance for the 3D Printing in Zero Gravity Technology Demonstration Mission

Analysis of phase I specimens produced as part of the 3D printing in zero G technology demonstration mission exhibited some differences in structure and performance for specimens printed onboard the International Space Station (ISS) and specimens produced on the ground with the same printer prior to its launch. This study uses the engineering test unit for the printer, identical to the unit on ISS, to conduct a ground-based investigation of the impact of the distance between the extruder tip and the build tray on material outcomes. This standoff distance was not held constant for the phase I flight prints and is hypothesized to be a major source of the material variability observed in the phase I data set.

Prater, T. J.↗