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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An Adaptable N‐Heterocyclic Carbene Macrocycle Hosting Copper in Three Oxidation States

Abstract A neutral hybrid macrocycle with two trans ‐positioned N‐heterocyclic carbenes (NHCs) and two pyridine donors hosts copper in three oxidation states (+I–+III) in a series of structurally characterized complexes ( 1 – 3 ). Redox interconversion of [LCu] +/2+/3+ is electrochemically (quasi)reversible and occurs at moderate potentials ( E 1/2 =−0.45 V and +0.82 V (vs. Fc/Fc + )). A linear C NHC ‐Cu‐C NHC arrangement and hemilability of the two pyridine donors allows the ligand to adapt to the different stereoelectronic and coordination requirements of Cu I versus Cu II /Cu III . Analytical methods such as NMR, UV/Vis, IR, electron paramagnetic resonance, and Cu Kβ high‐energy‐resolution fluorescence detection X‐ray absorption spectroscopies, as well as DFT calculations, give insight into the geometric and electronic structures of the complexes. The XAS signatures of 1 – 3 are textbook examples for Cu I , Cu II , and Cu III species. Facile 2‐electron interconversion combined with the exposure of two basic pyridine N sites in the reduced Cu I form suggest that [LCu] +/2+/3+ may operate in catalysis via coupled 2 e − /2 H + transfer.

Liu, Yang↗
DOE OSTI2026

Extreme Temperature Cryptography Based On Nitrogen-Incorporated Ultrananocrystalline Diamond

Physical entropy sources that remain stable under extreme temperatures are essential for cryptography in emerging technological frontiers in deep space exploration, geothermal energy harvesting, and nuclear energy. However, conventional semiconductor platforms fail to generate stable and reliable cryptographic keys above 200 degrees C due to performance degradation. Here, we report a diamond-based cryptographic primitive that exploits the defect-rich sp 2 -bonded grain boundary network in nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) film as a robust entropy source to generate cryptographic keys that remain operationally stable even after enduring extreme temperatures of 700 degrees C for 54 h while also surviving thermal cycling between room temperature and 700 degrees C for 48 h. The strength of the generated keys is assessed through several cryptographic metrics such as bit uniformity, entropy, hamming distances, and correlation coefficients, all of which are found to be near their respective ideal values. Moreover, the generated keys pass the NIST SP 800 and SP 800-90B tests and are also resilient to supply bias variations and a regression-based machine learning attack model based on the Fourier series. The robustness of the keys is attributed to the better thermal stability and chemical inertness of the n-UNCD film. This is supported by high-resolution energy-dispersive X-ray spectroscopy (EDS), which shows no significant lateral diffusion of metal atoms into the n-UNCD layer, and by Raman spectroscopy, which reveals no significant changes in the bonding configuration of the n-UNCD structure. Our findings highlight the remarkable potential of n-UNCD film for extreme environment cryptography by expanding the operational limits of conventional hardware security platforms.

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

Solid-State NMR Studies of Solvent-Mediated, Acid-Catalyzed Woody Biomass Pretreatment for Enzymatic Conversion of Residual Cellulose

Enzymes selectively hydrolyze the carbohydrate fractions of lignocellulosic biomass into corresponding sugars, but these processes are limited by low yields and slow catalytic turnovers. Under certain conditions, the rates and yields of enzymatic sugar production can be increased by pretreating biomass using solvents, heat, and dilute acid catalysts. However, the mechanistic details underlying this behavior are not fully elucidated, and designing effective pretreatment strategies remains an empirical challenge. Herein, using a combination of solid-state and high-resolution magic-angle-spinning NMR, infrared spectroscopy, and X-ray diffractometry, we show that the extent to which cellulase enzymes are able to hydrolyze solvent-pretreated biomass can be understood in terms of the ability of the solvent to break the chemical linkages between cellulose and noncellulosic materials in the cell wall. This finding is of general significance to enzymatic biomass conversion research, and implications for designing improved biomass conversion strategies are discussed. Furthermore, these findings demonstrate the utility of solid-state NMR as a tool to elucidate the key chemical and physical changes that occur during the liquid-phase conversion of real biomass.

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

Trivalent titanium in high-titanium lunar ilmenite

Lunar mare basalts are often rich in titanium, hosted predominantly within the mineral ilmenite (Fe 2+ Ti 4+ O 3 ). Here, we examine ilmenite in a ~3.8 billion-year-old mare basalt (Apollo rock 75035) using high-resolution electron microscopy and electron energy loss spectroscopy. A key finding is that 75035 ilmenite is itself enriched in Ti, beyond the end member of the conventional solid solution series. Using energy loss near-edge spectroscopy, we determine that the excess Ti is trivalent, with Ti 3+ accounting for 13% of the total Ti content. This discovery confirms the presence of trivalent Ti in lunar ilmenite, long hypothesized based on the Moon’s reducing environment. Accounting for the change in implied stoichiometry, a review of literature data suggests that Ti 3+ may be present in ilmenite across a wide range of lunar samples. We extrapolate known relationships from the literature to connect Ti 3+ to redox conditions, estimating the oxygen fugacity during crystallization of 75035 to be below the iron-wüstite buffer, ΔIW≤ − 1.6. Further quantifying the relationship between Ti valence state and oxygen fugacity would allow Ti 3+ -bearing ilmenite to serve as an oxybarometer able to access the reducing conditions found on many planetary bodies.

mineralogy↗
DOE OSTI2020

Effect of indium alloying on the charge carrier dynamics of thick-shell InP/ZnSe quantum dots

In this work, thick-shell InP/ZnSe III–V/II–VI quantum dots (QDs) were synthesized with two distinct interfaces between the InP core and ZnSe shell: alloy and core/shell. Despite sharing similar optical properties in the spectral domain, these two QD systems have differing amounts of indium incorporation in the shell as determined by high-resolution energy-dispersive x-ray spectroscopy scanning transmission electron microscopy. Ultrafast fluorescence upconversion spectroscopy was used to probe the charge carrier dynamics of these two systems and shows substantial charge carrier trapping in both systems that prevents radiative recombination and reduces the photoluminescence quantum yield. The alloy and core/shell QDs show slight differences in the extent of charge carrier localization with more extensive trapping observed in the alloy nanocrystals. Despite the ability to grow a thick shell, structural defects caused by III–V/II–VI charge carrier imbalances still need to be mitigated to further improve InP QDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A flexible neutron spectrometer concept with a new ultra-high field steady-state vertical-bore magnet

The proposed facility explores materials under ultra-high magnetic fields. By combining the power of high fields to tune materials and of neutron scattering to probe the resulting changes down to the atomic scale, this facility will enable transformative progress in the study of quantum materials and is named for the “TITAN” subset of Greek gods to reflect this transformation. TITAN will offer DC magnetic fields up to at least 20 T. Exploiting the record brightness and bandwidth of the Second Target Station at the Spallation Neutron Source, TITAN will probe atomic-scale responses through high efficiency neutron spectroscopy up to 80 meV energy transfer, high resolution diffraction, and small angle neutron scattering. Focusing neutron optics will maximize flux on accurately positioned samples, while radial collimation and optimized shielding and detection strategies will minimize backgrounds.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Measuring stellar populations, dust attenuation and ionized gas at kpc scales in 10010 nearby galaxies using the integral field spectroscopy from MaNGA

As one of the three major experiments of the fourth-generation Sloan Digital Sky Survey (SDSS-IV), the Mapping Nearby Galaxies at Apatch Point Observatory (MaNGA) survey has obtained high-quality integral field spectroscopy (IFS) with a resolution of 1–2 kpc for ∼ 10 4 galaxies in the local universe during its six-year operation from July 2014 through August 2020. It is crucial to reliably measure the physical properties of the different components in each spectrum before one can use the data for any scientific study. In the past years we have made lots of efforts to develop a novel technique of full spectral fitting, which estimates a model-independent dust attenuation curve from each spectrum, thus allowing us to break the degeneracy between dust attenuation and stellar population properties when fitting the spectrum with stellar population synthesis models. We have applied our technique to the final data release of MaNGA, and obtained measurements of stellar population properties and emission line parameters, as well as the kinematics and dust attenuation of both stellar and ionized gas components. In this paper we describe our technique and the content and format of our data products. The whole dataset is publicly available in Science Data Bank with the link https://doi.org/10.57760/sciencedb.j00113.00088 .

Physics↗
DOE OSTI2025

Layer-dependent spin-resolved electronic structure of ferromagnetic triple-layered ruthenate Sr4Ru3O10

High-resolution angle- and spin-resolved photoemission spectroscopy (ARPES) of the triple-layered ruthenate Sr4Ru3O10 reveals features of the electronic structure that extend our understanding of the layered strontium ruthenates. The spectra near the Fermi energy are very different from the nonmagnetic analogues Sr2RuO4 and Sr3Ru2O7 with distinct Fermi surfaces for wide electronlike minority spin bands around the zone center and narrow holelike majority spin Fermi surface contours around the zone corners. The most dramatic results are two narrow spectral peaks ∼30 meV below the Fermi level, a spin-minority holelike band at the Brillouin zone center, and a spin-majority saddle-band van Hove singularity at the zone edge, which exhibits almost 100% spin polarization at low temperature, and a strong temperature dependent coherence-incoherence crossover attributed to Hund metal correlations. Quantitative comparison of the ARPES to spin-polarized density functional theory (DFT) calculations identify the specific antibonding and nonbonding orbital origins of the narrow bands, with a prediction of different spatial localization in the central and outer layers. This is shown to be consistent with experimental ARPES multizone matrix element intensity variations, and implicates outer-layer-specific control of the in-plane metamagnetism. The renormalization of the bands relative to the mean-field DFT, the demonstration of spin-polarized oxygen bands, and of spin-minority and spin-majority band-crossing hybridization provide a more complete picture of the magnetism which displays aspects of both delocalized and local moment behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

The 12 micron band of ethane - High-resolution laboratory analysis with candidate lines for infrared heterodyne searches

Attention is given to the results of a laboratory study of the v9 band of ethane at 12 microns, using both high resolution Fourier transform and diode laser absorption spectroscopy. The analysis to which about 2000 transitions in this band have been subjected includes the normal rotational terms as well as the higher order effects of l-doubling, l-resonance, internal rotation, and a Coriolis resonance with the 3v4 state. A model is presented for the v9 band which is able to reproduce the observed features to an accuracy of better than 0.001/cm, and a list has been compiled for v9 transitions, occurring near C-14O2 laser lines, that are good candidates for laser heterodyne searches.

Atakan, A. K.↗
NASA NTRS1987

What's needed in the UV and EUV

High spectral and spatial resolution UV and EUV spectroscopy is discussed with emphasis on the spectroscopic observations that are required in order to increase the understanding of the physics of the lower transition region. The properties of the lower transition region are reviewed, and the available lower transition region plasma diagnostics are reviewed for the wavelength range between about 1150 and 2000 A. One important conclusion is that comprehensive spectroscopic coverage over a rather broad temperature range is necessary in order to observe satisfactorily small transition region structures. This is illustrated by two examples from the recent NRL Spacelab 2 HRTS experiment.

Doschek, G. A.↗
NASA NTRS1987

An investigation of stellar coronae with AXAF

Questions concerning the phenomenon of stellar coronae are discussed together with the physical parameters essential to model stellar coronae and the different AXAF instruments assigned for measurements of these parameters. As an illustration of what AXAF will be able to accomplish, three specific examples of studies by AXAF are described. These include coronal modeling for a bright X-ray source such as HR 1099, using spectra obtained by AXAF; time-resolved spectroscopy of AR Lacertae and YY Geminormum during their eclipses, to use the spectra for the identification and modeling of individual geometrical physical structures on these stars; and time-resolved spectroscopy during stellar flares to obtain high-resolution spectra which will make it possible to infer the changes in the flaring plasma temperatures as a function of time.

Linsky, Jeffrey L.↗
NASA NTRS1988

Infrared absorption study of neutron-transmutation-doped germanium

Using high-resolution far-infrared Fourier transform absorption spectroscopy and Hall effect measurements, the evolution of the shallow acceptor and donor impurity levels in germanium during and after the neutron transmutation doping process was studied. The results show unambiguously that the gallium acceptor level concentration equals the concentration of transmutated Ge-70 atoms during the whole process indicating that neither recoil during transmutation nor gallium-defect complex formation play significant roles. The arsenic donor levels appear at full concentration only after annealing for 1 h at 450 C. It is shown that this is due to donor-radiation-defect complex formation. Again, recoil does not play a significant role.

Park, I. S.↗
NASA NTRS1989

The BATSE experiment on the Gamma Ray Observatory: Solar flare hard x ray and gamma-ray capabilities

The Burst and Transient Source Experiment (BATSE) for the Gamma Ray Observatory (GRO) consists of eight detector modules that provide full-sky coverage for gamma-ray bursts and other transient phenomena such as solar flares. Each detector module has a thin, large-area scintillation detector (2025 sq cm) for high time-resolution studies, and a thicker spectroscopy detector (125 sq cm) to extend the energy range and provide better spectral resolution. The total energy range of the system is 15 keV to 100 MeV. These 16 detectors and the associated onboard data system should provide unprecedented capabilities for observing rapid spectral changes and gamma-ray lines from solar flares. The presence of a solar flare can be detected in real-time by BATSE; a trigger signal is sent to two other experiments on the GRO. The launch of the GRO is scheduled for June 1990, so that BATSE can be an important component of the Max '91 campaign.

Fishman, G. J.↗
NASA NTRS1992

Charge-coupled device imaging spectroscopy of Mars. II - Results and implications for Martian ferric mineralogy

Materials similar to nanophase ferric oxides are presently seen to dominate the spectral behavior of the Martian surface in the visible-to-near-IR, in view of imaging spectroscopic observations of Mars. Attention is accordingly given to models for the formation of hematite and other ferric minerals in both current terrestrial environments and in the current and past, possibly wetter Martian climate. It is noted that imaging spectroscopy is an ideal tool for high spatial resolution spacecraft and telescopic studies of the Martian surface.

Bell, James F., III↗
NASA NTRS1994

HD 53975: An O-type spectroscopic binary with a large mass ratio

We present radial velocities and line profiles of the O-type star HD 53975, which we find to be a spectroscopic binary with a period of 6.0173 days. Although there are no obvious signatures of the secondary in the line profiles, we have used the merit function of Shafter et al. (1980) to show that a secondary component is present in lines found in B-type spectra. We have compared the observed merit functions with merit functions for model profiles constructed assuming a main-sequence secondary, and this comparison consistently indicates a companion with a mass ratio of q = M(sub 2)/M(sub 1) = 0.23 +/- 0.04 and a magnitude difference Delta m = 3.3 +/- 0.4. We present a tomographic reconstruction of the spectrum of the secondary for these parameters. We suggest that other large mass ratio binaries may be found among the O stars when observed with high-resolution and high signal-to-noise ratio spectroscopy.

Gies, D. R.↗
NASA NTRS1995

The spectral energy distribution of the z=3 quasar: HS 1946+7658

For the bright z = 3.02 radio-quiet quasar, HS 1946+7658, we have obtained radio to X-ray data within the past year: 5 GHz and 1415 MHz data from the Very Large Array (VLA); IR photometry at J, H, K, L prime (3.4 micrometers and N; IR spectroscopy; UBVRI photometry; optical spectrophotometry and high-resolution spectra; and an X-ray spectrum from the ROSAT Position Sensitive Proportional Counter (PSPC). The spectral energy distribution (SED) constructed from these data is compared to the mean SED for a set of low-redshift quasars, and while they appear generally similar, there are several differences. In relation to the low-redshift mean, the SED of HS 1946+7658 shows (1) only an upper limit at 10 micrometers (a rest wavelength of 2.5 micrometers, indicating that HS 1946+7658 does not have a strong near-IR excess such as hot dust would produce; (2) relatively weak Fe II and Balmer continuum emission at approximately 3000 A; and (3) a steeper turndown shortward of Ly alpha, even after correction for the Ly alpha forest absorption lines.

Kuhn, O.↗
NASA NTRS1993

Characterization of precipitates in CdTe and Cd(1-x)Zn(x)Te grown by vertical Bridgman-Stockbarger technique

Different polishing solutions were tested for exposing precipitates in CdTe and Cd(0.96)Zn(0.04) single crystals grown by vertical Bridgman-Stockbarger technique. A solution of 5-7% Br2 in methanol and E-solution were both effective. High resolution scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS) was employed to characterize those exposed precipitates. Most of the polyhedral-shaped Te precipitates with a size range from 3 to 20 microns had voids inside. Partially dissolved Te precipitates were observed in CdTe samples that had been annealed in Cd vapor at 700 C for 10 min. Isolated areas mis-oriented from the matrix were observed in CdTe and Cd(0.96)Zn(0.04)Te that had been annealed in Cd vapor at 700 C for 20 and 50 h, respectively. Te precipitate images were recorded with EDS. By SEM/EDS, Cd-rich precipitates were observed in some Cd-annealed CdTe. C and Na impurities were detected in some Te precipitates.

Shen, J.↗