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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Optical suppression of defect-related photoluminescence in GeSn

Reports of photoluminescence from GeSn grown on Ge substrates by molecular beam epitaxy have been limited. We find that one limiting factor to observing photoluminescence is due to localized defect states marked by photoluminescence at 2400 nm and originating from the Ge substrate and buffer layer. In this study, we report on an optical study utilizing doped Ge(001) substrates to effectively suppress defect-related photoluminescence in GeSn layers by filling localized defect trap states. For this experiment, a GeSn layer with Sn content up to 10.5 ± 0.5% was grown on a doped Ge(001) substrate. Analysis of the physics of the photoluminescence spectrum collected from the GeSn thin film shows an emission at the expected wavelength of 2300 nm for 10.5 ± 0.5% Sn content and the absence of the typically observed defect-related signal at 2400 nm. This understanding is further confirmed using short-pulse optical excitation of the GeSn grown on undoped Ge substrates.

Chemical vapor deposition↗
NASA NTRS1983

Electron impact excitation from a 1 Delta g state of molecular oxygen

First measurements of electron impact excitation on the O2 a delta-one sub g metastable state to a higher bound state, pi-one sub u, is reported. The data were taken at an incident electron energy of 500 eV and scattering angles of 0 deg to 15 deg. A superelastic electron scattering experiment was performed on the pure oxygen target gas in order to establish the composition of the discharged oxygen and to confirm the existence of delta-one sub g molecules in the interaction region. The electron-impact energy loss spectrum obtained is shown. The electronic assignment of the upper state which produces the vibrational structure was determined to be pi-one sub u by examining the potential energy curves of O2 and applying the electric dipole selection rules. The relative line intensities were obtained and used to determine the Morse potential for the pi-one sub u state.

Khakoo, M. A.↗
NASA NTRS1995

A Circumstellar H2O Maser Associated With the Galactic Circumnuclear Molecular Disk?

In the course of conducting a survey of 22-GHzH2O masers in the inner galaxy, we discovered a maser source in Sgr A West. It is located ~30'N and 35'E of Sgr A*, near the edge of the Eastern arm of the radio mini-spiral, which presumably coincides with the inside edge of the circumnuclear disk. Furthermore, the radial velocity of the maser is remarkably similar to that expected for gas in the circumnuclear disk at this location. We have also found a luminous, reddened star having a bolometric magnitude and IR spectrum characteristic of an M supergiant at this location. The extinction is consistent with a location in the inner galaxy, near or possibly within the circumnuclear disk. If this star is associated with the circumnuclear disk, it will have implications for star formation in the unusual galactic center environment.

Circumstellar Maser↗
DOE OSTI2024

Electrochemical and Optical Spectroscopic Probing of Transition–Sized Au 130 (SR) 50 Nanoclusters

Ultrasmall metal nanoclusters (NCs) exhibit a quantized conduction band, hence, a distinct HOMO-LUMO gap (E g ). Such a quantized electronic structure gives rise to multiple discrete peaks in the optical absorption spectrum of the NCs. As the size grows to 130 gold atoms (Au 130 protected by ligands), electrical charging and optical behaviors seem to show certain metal-like features (hence, transition-sizes). To probe such behaviors, especially the potential ligand effect, we have devised the synthesis of Au 130 NCs protected by phenylethanethiolate and naphthalenethiolate, respectively, with the former having a nonconjugated separation between the aromatic molecular group and the metal core while the latter being in direct bonding. A careful comparison of these two Au 130 nanoclusters with the earlier reported analogues is carried out, including the structurally characterized Au 130 (pMBT) 50 and the aqueous counterpart. While all of these nanoclusters possess the same 80 free electron counts in the core, some notable differences in electrochemical and optical properties are found, which are attributed to the ligand effects. The obtained insights may stimulate further interest in the transition-sized nanoclusters and also promote their applications in optics, energy conversion, and biomedicine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

HH55 and its energy source

Imaging and spectroscopic observations of HH55 in the Lupus molecular cloud are presented. Cohen and Schwartz (1987) have shown that HH55 is apparently not excited by the nearby T Tau star RU Lup as once thought but rather by the coincident FIR point source 15533 - 3742 extracted from IRAS coadded images. The optical counterpart of this IR source is identified as an active, relatively unobscured M-dwarf star. The forbidden emission lines observed in the stellar spectrum exhibit slight asymmetries to blueshifted velocities. Deconvolution of the emission lines reveals a weak moderate-velocity (-100 km/sec) wind component and a stronger emission component whose velocity is very close to that of the star.

Heyer, Mark H.↗
NASA NTRS1995

Hot shocked gas along the jets of NGC 4258 (M106)

The ROSAT High Resolution Interferometer (HRI) and Position Sensitive Proportional Counter (PSPC) detectors have been used to study the soft X-ray emission of the nearby SABbc galaxy NGC 4258 (M106). The helically twisted, nuclear jets, previously detected in radio continuum and visual emission-line studies, are found to dominate the X-ray images. After correcting pointing errors of up to +/- 7 sec in our HRI observation, we find that the southeast jet is spatially unresolved transversely along much of its 2.5 min (5 kpc) length. The northwest jet is more diffuse, and the extensive radio 'plateaus' also emit X-rays. The energy spectrum of the jets from the PSPC exposure is noisy but is best fitted as a Raymond-Smith plasma with kT = 0.3 keV, log N(sub H) approximately = 20.0/sq cm, and luminosity 1.6 x 10(exp 40) ergs/s between 0.1 and 2.4 keV. Gas at this temperature can arise from planar shocks of 500 km/s and may have been entrained as the jets scrape along the molecular clous that are known to be adjacent to the jets. The range of radial velocities from our published visual emission-line spectra of the jet are consistent with such a shock speed. We estimate that the mass of hot gas in the jets is 6 x 10(exp 4) (1/cc/n(sub e)) solar mass, with n(sub e) the average electron density. The inferred pressure of hot gas in the southeast jet may be similar to the radio equipartition pressure and to the ambient pressure of the interstellar medium (ISM). The X-ray spectral fit is poor above 0.7 keV and requires an additional hard component that peaks near the nucleus.

Cecil, G.↗
NASA NTRS2015

Detecting and Constraining N2 Abundances in Planetary Atmospheres Using Collisional Pairs

Characterizing the bulk atmosphere of a terrestrial planet is important for determining surface pressure and potential habitability. Molecular nitrogen (N2) constitutes the largest fraction of Earth's atmosphere and is likely to be a major constituent of many terrestrial exoplanet atmospheres. Due to its lack of significant absorption features, N2 is extremely difficult to remotely detect. However, N2 produces an N2-N2 collisional pair, (N2)2, which is spectrally active. Here we report the detection of (N2)2 in Earth's disk-integrated spectrum. By comparing spectra from NASA's EPOXI mission to synthetic spectra from the NASA Astrobiology Institute's Virtual Planetary Laboratory three-dimensional spectral Earth model, we find that (N2)2 absorption produces a ~35% decrease in flux at 4.15 μm. Quantifying N2 could provide a means of determining bulk atmospheric composition for terrestrial exoplanets and could rule out abiotic O2 generation, which is possible in rarefied atmospheres. To explore the potential effects of (N2)2 in exoplanet spectra, we used radiative transfer models to generate synthetic emission and transit transmission spectra of self-consistent N2-CO2-H2O atmospheres, and analytic N2-H2 and N2-H2-CO2 atmospheres. We show that (N2)2 absorption in the wings of the 4.3 μm CO2 band is strongly dependent on N2 partial pressures above 0.5 bar and can significantly widen this band in thick N2 atmospheres. The (N2)2 transit transmission signal is up to 10 ppm for an Earth-size planet with an N2-dominated atmosphere orbiting within the habitable zone of an M5V star and could be substantially larger for planets with significant H2 mixing ratios.

Schwieterman, Edward W.↗
NASA NTRS1978

Low background focal plane array testing in the far infrared

A new long-wavelength infrared test facility is being developed to conduct proof-of-performance tests of focal plane arrays for the Infrared Astronomical Satellite (IRAS) telescope. This facility is believed to be unique in that it will calibrate full-sized arrays designed for the 5-120-micron region of the IR spectrum under simulated spaceflight conditions and at background levels as low as 8 million photons/sq cm-sec. Most of the tests will be performed in a main test chamber which contains a liquid helium shroud, blackbody sources, an arrangement to simulate zodiacal background, and spot scanning optics. A noncontaminating high-vacuum pumping system will be used to evacuate the chamber prior to cool-down to prevent molecular deposition. All housekeeping and focal plane signal outputs are multiplexed, digitized, and transmitted on high-speed data lines to a PDP-11/70 computer. The computer provides real-time displays on a color CRT terminal and stores data for subsequent reduction and hard copy output. An overview of the conceptual design and performance specifications of the test facility are given.

Iufer, E. J.↗
NASA NTRS1989

Modelling the dust grains around the peculiar Be star HD 45677

Numerical radiative transfer models are used to study circumstellar dust grains around the peculiar Be star HD 45677. The modeling technique is to fit the observed far-ultraviolet through far-infrared energy distribution with the energy distributions predicted for a spherical dust shell around a luminous hot star. Such a simultaneous multi-wavelength study makes it possible to strengthen constraints on dust-grain properties. It is found that the observations can be fitted with the emergent spectrum of a spherical shell consisting of a graphite-silicate mixture. The grain-size distribution is similar to that for diffuse cloud dust, but the circumstellar dust contains large grains with a maximum size of about 1 micron. This result is consistent with a scenario in which HD 45677 is a young stellar object (100 Myr or less), with the dust shell being a fossil of the molecular cloud left over from star formation.

Sorrell, Wilfred H.↗
NASA NTRS1989

Interstellar polycyclic aromatic hydrocarbons - The infrared emission bands, the excitation/emission mechanism, and the astrophysical implications

A comprehensive study of the PAH hypothesis is presented, including the interstellar, IR spectral features which have been attributed to emission from highly vibrationally excited PAHs. Spectroscopic and IR emission features are discussed in detail. A method for calculating the IR fluorescence spectrum from a vibrationally excited molecule is described. Analysis of interstellar spectrum suggests that the PAHs which dominate the IR spectra contain between 20 and 40 C atoms. The results are compared with results from a thermal approximation. It is found that, for high levels of vibrational excitation and emission from low-frequency modes, the two methods produce similar results. Also, consideration is given to the relationship between PAH molecules and amorphous C particles, the most likely interstellar PAH molecular structures, the spectroscopic structure produced by PAHs and PAH-related materials in the UV portion of the interstellar extinction curve, and the influence of PAH charge on the UV, visible, and IR regions.

Allamandola, L. J.↗
NASA NTRS1996

Model Stellar Atmospheres and Real Stellar Atmospheres and Status of the ATLAS12 Opacity Sampling Program and of New Programs for Rosseland and for Distribution Function Opacity

I discuss errors in theory and in interpreting observations that are produced by the failure to consider resolution in space, time, and energy. I discuss convection in stellar model atmospheres and in stars. Large errors in abundances are possible such as the factor of ten error in the Li abundance for extreme Population II stars. Finally I discuss the variation of microturbulent velocity with depth, effective temperature, gravity, and abundance. These variations must be dealt with in computing models and grids and in any type of photometric calibration. I have also developed a new opacity-sampling version of my model atmosphere program called ATLAS12. It recognizes more than 1000 atomic and molecular species, each in up to 10 isotopic forms. It can treat all ions of the elements up through Zn and the first 5 ions of heavier elements up through Es. The elemental and isotopic abundances are treated as variables with depth. The fluxes predicted by ATLAS12 are not accurate in intermediate or narrow bandpass intervals because the sample size is too small. A special stripped version of the spectrum synthesis program SYNTHE is used to generate the surface flux for the converged model using the line data on CD-ROMs 1 and 15. ATLAS12 can be used to produce improved models for Am and Ap stars. It should be very useful for investigating diffusion effects in atmospheres. It can be used to model exciting stars for H II regions with abundances consistent with those of the H II region. These programs and line files will be distributed on CD-ROMs.

Kurucz, Robert L.↗
NASA NTRS1990

On the nature of the X-ray pulsar near Lynds 1457

The rotation of a magnetized white dwarf or neutron star accidentally located within or behind the Lynds 1457 molecular cloud, is considered as a model for the hard X-ray source H0253 + 193. It is calculated that all models of this type have a low a priori probability because the positions are so remarkably coincident and because the objects involved are not sufficiently common. A neutron star accreting in a close binary is rejected because its likelihood is extremely small and because the observed position, luminosity, and spectrum of the object are all quite atypical for X-ray binaries. Two other possibilities are considered: (1) an isolated white dwarf or neutron star drifting accidentally into the cloud and accreting sufficient gas to power the X-ray source and (2) a white dwarf accreting in a close binary.

Patterson, J.↗
NASA NTRS2010

Particle Size and Abundance of HC3N Ice in Titan's Lower Stratosphere at High Northern Latitudes

Up to now, there has been no corroboration from Cassini CIRS of the Voyager IRIS-discovery of cyanoacetylene (HC3N) ice in Titan's thermal infrared spectrum. We report the first compelling spectral evidence from CIRS for the v6 HC3N ice feature at 506 per centimeter at latitudes 62 deg. N and 70 deg. N, from which we derive particle sizes and column abundances in Titan's lower stratosphere. We find mean particle radii of 3.0 micrometers and 2.3 micrometers for condensed HC3N at 62 deg. N and 70 deg. N, respectively, and corresponding ice phase molecular column abundances in the range 1-10 x 10(exp 16) mol per square centimeter. Only upper limits for cloud abundances can be established at latitudes of 85 deg. N, 55 deg. N, 30 deg. N, 10 deg. N, and 15 deg. S. Under the assumption that cloud tops coincide with the uppermost levels at which HC3N vapor saturates, we infer geometric thicknesses for the clouds equivalent to 10-20 km or so, with tops at 165 km and 150 km at 70 deg. N and 62 Deg. N, respectively.

Anderson, C. M.↗
DOE OSTI2024

Time-Resolved X-ray Emission Spectroscopy and Synthetic High-Spin Model Complexes Resolve Ambiguities in Excited-State Assignments of Transition-Metal Chromophores: A Case Study of Fe-Amido Complexes

To fully harness the potential of abundant metal coordination complex photosensitizers, a detailed understanding of the molecular properties that dictate and control the electronic excited-state population dynamics initiated by light absorption is critical. In the absence of detectable luminescence, optical transient absorption (TA) spectroscopy is the most widely employed method for interpreting electron redistribution in such excited states, particularly for those with a charge-transfer character. The assignment of excited-state TA spectral features often relies on spectroelectrochemical measurements, where the transient absorption spectrum generated by a metal-to-ligand charge-transfer (MLCT) electronic excited state, for instance, can be approximated using steady-state spectra generated by electrochemical ligand reduction and metal oxidation and accounting for the loss of absorptions by the electronic ground state. However, the reliability of this approach can be clouded when multiple electronic configurations have similar optical signatures. Using a case study of Fe(II) complexes supported by benzannulated diarylamido ligands, we highlight an example of such an ambiguity and show how time-resolved X-ray emission spectroscopy (XES) measurements can reliably assign excited states from the perspective of the metal, particularly in conjunction with accurate synthetic models of ligand-field electronic excited states, leading to a reinterpretation of the long-lived excited state as a ligand-field metal-centered quintet state. Furthermore, a detailed analysis of the XES data on the long-lived excited state is presented, along with a discussion of the ultrafast dynamics following the photoexcitation of low-spin Fe(II)-N amido complexes using a high-spin ground-state analogue as a spectral model for the 5 T 2 excited state.

14 SOLAR ENERGY↗
DOE OSTI2025

Investigation of the iodate sorption mechanism by CoAl LDH through experiments and ab initio molecular dynamics simulations

Radioiodine released during the nuclear-fuel cycle constitutes a persistent radiological hazard. In this study, the IO 3 – uptake mechanism of CoAl LDH was resolved by combining pH-controlled sorption experiments, synchrotron XAFS, and DFT-based AIMD simulations. At pH close to 6, approximately 90% of IO 3 – was removed, and the equilibrium distribution coefficient reached about 1.7 × 10 4 mL g –1 . EXAFS analysis indicated an average iodine–oxygen bond length of 1.81 Å and a coordination number near 3, with the fit R-factor equal to 0.002. The simulations faithfully reproduced the experimental spectrum and revealed transient proton hopping events that generated metastable I–O–H species inside the interlayer, thereby confirming nitrate-to-iodate exchange as the controlling capture pathway. Atomic density profiles and radial distribution functions further showed that IO 3 – adopt an end-on orientation perpendicular to the hydroxide sheets, while water molecules mediate proton migration without disturbing the host lattice. In conclusion, the integrated experimental–computational evidence demonstrates that CoAl LDH can rapidly and selectively sequester IO 3 – under near-neutral conditions, offering atomic scale guidance for the rational engineering of layered sorbents for advanced radioactive-waste treatment.

Kang, Jaehyuk [Jeju National Univ. (Korea, Republi↗
DOE OSTI2021

Predicting thermodynamic and thermophysical properties of molten chloride salts from ab-initio and classical molecular dynamics simulations

Molten salt reactors (MSRs) are among the advanced concepts pursued under the generation IV nuclear energy technology umbrella. However, the basic concept is not new and was first developed as part of the effort to power aircrafts with nuclear energy in the 1950’s. Later in the 1960’s, Oak Ridge National Laboratory (ORNL) built and operated the Molten-Salt Reactor Experiment (MSRE). This reactor used a fluoride salt with uranium as fuel. Fluorides salts are still highly relevant and proposed in several designs. In addition, chloride salts are being considered for MSRs operating in the fast neutron spectrum. This report focuses on chloride salts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Disrupted NOS2 metabolism drives myoblast response to wasting-associated cytokines

Highlights: • Amino acid metabolism is impacted in myoblasts treated with cancer cell conditioned media. • Inflammatory cytokines induce nitric oxide synthase 2 in myoblasts. • Elevated nitric oxide synthase 2 activity impairs myoblast proliferation and differentiation. Skeletal muscle wasting drives negative clinical outcomes and is associated with a spectrum of pathologies including cancer. Cancer cachexia is a multi-factorial syndrome that encompasses skeletal muscle wasting and remains understudied, despite being a frequent and serious co-morbidity. Deviation from the homeostatic balance between breakdown and regeneration leads to muscle wasting disorders, such as cancer cachexia. Muscle stem cells (MuSCs) are the cellular compartment responsible for muscle regeneration, which makes MuSCs an intriguing target in the context of wasting muscle. Molecular studies investigating MuSCs and skeletal muscle wasting largely focus on transcriptional changes, but our group and others propose that metabolic changes are another layer of cellular regulation underlying MuSC dysfunction in cancer cachexia. In the present study, we combined gene expression and non-targeted metabolomic profiling of myoblasts exposed to wasting conditions (cancer cell conditioned media, CC-CM) to derive a more complete picture of the myoblast response to wasting factors. After mapping these features to annotated pathways, we found that more than half of the mapped pathways were amino acid-related, linking global amino acid metabolic disruption to conditioned media-induced myoblast defects. Notably, arginine metabolism was a highly enriched pathway in combined metabolomic and transcriptomic data. Arginine catabolism generates nitric oxide (NO), an important signaling molecule known to have negative effects on mature muscle. We hypothesize that tumor-derived disruptions in Nitric Oxide Synthase (NOS)2-regulated arginine catabolism impair differentiation of MuSCs. The work presented here further investigates the effect of NOS2 overactivity on myoblast proliferation and differentiation. We show that NOS2 inhibition is sufficient to rescue wasting phenotypes associated with inflammatory cytokines. Ultimately, this work provides new insights into MuSC biology and opens up potential therapeutic avenues for addressing disrupted MuSC dynamics in cancer cachexia.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Optical and microstructural studies of erbium-doped TiO 2 thin films on silicon, SrTiO 3 , and sapphire

Rare-earth ion doped oxide thin films integrated on silicon substrates provide a route toward scalable, chip-scale platforms for quantum coherent devices. Erbium-doped TiO 2 is an attractive candidate: the Er 3+ optical transition is compatible with C-band optical fiber communications, while TiO 2 is an insulating dielectric compatible with silicon process technology. Through structural and optical studies of Er-doped TiO 2 thin films grown via molecular beam deposition on silicon, SrTiO 3 , and sapphire substrates, we have explored the impact of polycrystallinity and microstructure on the optical properties of the Er emission. Comparing polycrystalline TiO 2 (rutile)/Si with single-crystalline TiO 2 (rutile)/r-sapphire and polycrystalline TiO 2 (anatase)/Si with single-crystalline TiO 2 (anatase)/SrTiO 3 , we observe that the inhomogeneous linewidth (Γ inh ) of the most prominent peak in the Er spectrum (the Y 1 –Z 1 transition, 1520 and 1533 nm in rutile and anatase TiO 2 ) is significantly narrower in the polycrystalline case. This implies a relative insensitivity to extended structural defects and grain boundaries in such films (as opposed to, e.g., point defects). We show that the growth of an undoped, underlying TiO 2 buffer on Si can reduce Γ inh by a factor of 4–5. Expectedly, Γ inh also reduces with decreasing Er concentrations: we observe a ∼2 order of magnitude reduction from ∼1000 ppm Er to ∼10 ppm Er. Γ inh then gets limited to a residual value of ∼5 GHz that is insensitive to further reduction in the Er concentration. Based upon the above results, we argue that the optical properties in these thin films are limited by the presence of high “grown-in” point defect concentrations.

Chemical elements↗