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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Self-trapped hole and impurity-related broad luminescence in $β$-Ga 2 O 3

Here we explore the luminescence properties of self-trapped holes and impurity-related acceptors using one-dimensional configuration coordinate diagrams derived from hybrid functional calculations. The photoluminescence spectrum of as-grown $β$-Ga 2 O 3 typically consists of a broad band in the wavelength region from ultraviolet to green and is often dominated by an impurity independent ultraviolet band that is commonly attributed to self-trapped holes. Here, we use the self-trapped hole as a benchmark to evaluate the accuracy of the theoretical defect luminescence spectra and estimate the optical properties of Mg Ga , Be Ga , Ca Ga , Cd Ga , Zn Ga , Li Ga , and N O acceptor impurities, as well as their complexes with hydrogen donors. We also explore $V$ Ga acceptors complexed with hydrogen and Si Ga donor impurities. The results show that these defects can give rise to broad luminescence bands peaking in the infrared to visible part of the spectrum, making them potential candidates for the defect origin of broad luminescence bands in $β$-Ga 2 O 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Molecular chemisorption of N 2 on IrO 2 (110)

We investigated the adsorption of N 2 on stoichiometric and O-rich IrO 2 (110) surfaces using temperature programmed desorption (TPD) experiments and density functional theory (DFT) calculations. TPD shows that N 2 desorbs predominantly from the stoichiometric-IrO 2 (110) surface in a well-defined peak at 270 K for N 2 coverages below about 0.5 ML, and that a shoulder centered near 235 K develops in the N 2 TPD traces as the coverage approaches saturation, indicating that adsorbed N 2 molecules become destabilized at high N 2 coverage. Experiments of N 2 adsorption onto O-rich IrO 2 (110) surfaces provide evidence that N 2 adsorbs exclusively on the coordinatively-unsaturated Ir atoms (Ircus) of the surface, and that pre-adsorbed O-atoms (“on-top” oxygen) stabilize adsorbed N 2 molecules, causing the main N 2 TPD peak to shift toward higher temperature with increasing oxygen coverage. Consistent with prior results, our DFT calculations predict that an N 2 molecule preferentially adsorbs into an upright configuration on an Ircus atom of the IrO 2 (110) surface and achieves a binding energy of about 100 kJ/mol. The computed binding energy agrees well with our experimental estimate of ~90 kJ/mol for low N 2 coverages on stoichiometric IrO 2 (110). Lastly, the DFT calculations also quantitatively reproduce the observed stabilization of N 2 by co-adsorbed on-top O-atoms and predict the destabilization of N 2 on IrO 2 (110) as the N 2 adlayer becomes crowded at high coverage.

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

Neural network based prediction of no-wall β N limits due to ideal external kink instabilities

Multi-layer perceptron based neural networks (NNs) are trained to predict the Troyon no-wall beta limits due to the onset of low-n (n = 1 – 3, n is the toroidal mode number) ideal external kink instabilities in tokamak plasmas. It is revealed that a well-trained NN can predict the n = 1 no-wall beta limit within 10% relative error. The NN performance is somewhat worse for the n = 2 and 3 no-wall beta limits, but still a relative error within 20% is achievable. The trained NNs well reproduce the known dependences of the no-wall beta limits on the plasma pressure (pressure peaking factor) and current (plasma internal inductance) profiles. Other scalings are further easily established with NNs, for parametric dependences such as on the aspect ratio, the elongation and triangularity of the plasma boundary shape. These NN-based Troyon beta limit predictors can be incorporated into integrated modeling platforms, or directly implemented as a real time stability estimator for the purpose of disruption avoidance or mitigation during experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Investigating the role of edge neutrals in exciting tearing mode activity and achieving flat temperature profiles in LTX-β

Abstract We present observations, numerical simulations, and analysis from experiments in the Lithium Tokamak Experiment-Beta (LTX- β ) in which the electron temperature profile ( T e ( r )) shifts from flat to peaked and a tearing mode is also destabilized when the average density ( n e ave ) exceeds ∼10 19 m −3 . Flat T e ( r ) is obtained routinely in LTX- β , with a lithium coated, low-recycling first wall, once the external fueling is stopped and density decays [Boyle et al 2023 Nucl. Fusion 63 056020]. In the present experiment, flat T e profiles can be sustained while maintaining constant n e ave below a line averaged density threshold ( n e ave th ) of ∼10 19 m −3 . Above n e ave th , T e ( r ) shifts from flat to peaked and a tearing mode is destabilized. Due to low recycling, the achieved n e ave can be controlled precisely by external fueling and hence, a certain threshold of the edge neutral inventory from the external fueling is experimentally manifested through n e ave th . The goal of the present work is to investigate the role of edge neutrals in determining T e ( r ) and MHD stability in the unique low-recycling regime of LTX- β . Our hypothesis is that the peaking of T e ( r ) beyond n e ave th is due ultimately to the edge cooling by the cold neutrals beyond a critical fueling flux. At lower fueling flux, flat T e ( r ) results in broader pressure profile and lower resistivity, which in turn stabilizes the tearing mode. This hypothesis is supported by edge neutral density estimation by DEGAS 2 code. Mode analysis by singular value decomposition confirms the tearing mode structure to be m / n = 2/1 ( m and n being the poloidal and toroidal mode numbers). Linear tearing stability analysis with M3D-C1 predicts that plasmas with n e ave > 10 19 are highly susceptible to a n = 1 tearing mode. ORBIT simulations, however, confirmed that the tearing modes do not contribute to the loss of fast ions from neutral beam injection. This study shows for the first time that the neutral inventory at the edge could be one of the deciding factors for the achievability of the unique operation regime of flat T e ( r ) and the excitation of tearing activity that could be disruptive for the plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Activation of propane on Ag–PdO(101) model surfaces

Oxidation of alkanes remains a central challenge in catalysis due to the high activation barriers of C–H bonds and the thermodynamic favorability of complete oxidation. Palladium oxide (PdO), particularly its (101) facet, is known for its high reactivity in alkane oxidation, which is attributed to its coordinatively unsaturated palladium (Pd) and O atoms. In this study, we investigate the effect of silver (Ag) incorporation on the oxidation behavior of propane over PdO(101) using temperature-programmed reaction spectroscopy (TPRS) under controlled conditions. While pristine PdO(101) exhibits complete oxidation of propane with CO₂ and H₂O desorption at high temperatures (approximately 475 K), Ag incorporation induces a new CO₂ desorption peak at significantly lower temperatures (approximately 330 K). This shift is attributed to the formation of new active sites at the Ag–PdO(101) interface. Quantitative analysis reveals that low-temperature activity correlates with Ag coverage, while overall CO₂ production decreases, suggesting a redistribution of reactivity rather than an increase in active surface area. Activation energy estimations using the Redhead method confirm that C–H bond activation becomes more facile at the interface, with a 46 kJ/mol reduction compared to pristine PdO(101). These findings demonstrate that incorporating a less reactive metal such as Ag into PdO surfaces not only modifies the reaction energetics but also enables the design of bimetallic catalysts with improved selectivity for partial oxidation reactions.

Chemistry↗
NASA NTRS1973

Millimeter wavelength observations of solar active regions

Polarization properties of active regions at 9 mm are discussed, and the observed degree of polarization is used to obtain an estimate of chromospheric magnetic fields. Also discussed is the polarization structure at 9 mm of an active region that produced a minor flare around 1900 UT on September 28, 1971. Total power observations indicate that new regions develop, or weak regions intensify at millimeter wavelengths as a result of bursts at distant sites. The spectra of the peak flux density of moderately strong bursts observed at 9 mm show a sharp drop toward the shorter millimeter wavelengths. The weak bursts at 3.5 mm are manifest mainly as heating phenomena.

Kundu, M. R.↗
NASA NTRS1976

SAS-2 gamma-ray observations of PSR 1747-46

Evidence is reported for the observation of gamma-ray emission from the radio pulsar PSR 1747-46 by the gamma-ray telescope aboard SAS 2. The evidence is based on the presence of both an approximately 3-sigma enhancement of gamma rays at the pulsar's location and an approximately 4-sigma peak in the phase plot of 79 gamma-ray events whose phase was calculated from the pulsar's known period. The gamma-ray pulsation is found to appear at a phase lag of about 0.16 from that predicted by the radio observations. The pulsed gamma-ray fluxes above 35 MeV and 100 MeV are estimated, and it is shown that the gamma-ray pulse width is similar to the radio pulse width. It is concluded that PSR 1747-46 is a most likely candidate for pulsed gamma-ray emission.

Thompson, D. J.↗
NASA NTRS1982

Sunspot variation and selected associated phenomena: A look at solar cycle 21 and beyond

Solar sunspot cycles 8 through 21 are reviewed. Mean time intervals are calculated for maximum to maximum, minimum to minimum, minimum to maximum, and maximum to minimum phases for cycles 8 through 20 and 8 through 21. Simple cosine functions with a period of 132 years are compared to, and found to be representative of, the variation of smoothed sunspot numbers at solar maximum and minimum. A comparison of cycles 20 and 21 is given, leading to a projection for activity levels during the Spacelab 2 era (tentatively, November 1984). A prediction is made for cycle 22. Major flares are observed to peak several months subsequent to the solar maximum during cycle 21 and to be at minimum level several months after the solar minimum. Additional remarks are given for flares, gradual rise and fall radio events and 2800 MHz radio emission. Certain solar activity parameters, especially as they relate to the near term Spacelab 2 time frame are estimated.

Wilson, R. M.↗
NASA NTRS1982

Airborne observations of the Orion molecular hydrogen emission spectrum

The Orion near-infrared H2 emission spectrum was observed from an altitude of 12.5 km in order to measure line intensities free from interference by terrestrial H2O. For the peak source, the observations indicate that the differential extinction between 4126 and 4712 per cm is 0.59 + or -0.06 mag, and the relative line intensities are consistent with those expected from a homogeneous source in approximate LTE at 1540 + or -100 K. An anomalous ortho/para H2 abundance ratio of 3.5(+ or - 0.2):1 is found, and the estimated total luminosity in vibrationally excited H2 lines is 300 + or - 100 solar luminosities. Rough molecular abundance limits, based on the missing H2 Q(6) line and the good agreement between other line intensities and the LTE model, place the H2 region no deeper within OMC-1 than the IR cluster and no shallower than 50 percent of the depth to the cluster.

Davis, D. S.↗
DOE OSTI2023

A novel method for quantifying irradiation damage in nuclear graphite using Raman spectroscopy

Raman spectroscopy has long been used in studying irradiation damage in carbon/graphite materials. It is however unclear if the measurements from different types of materials are directly comparable. Further, decoupling the contribution from irradiation temperature and fluence to the total damage in nuclear graphite possessing irradiation damage gradient is currently not readily feasible as it requires a complete set of test reactor irradiation experiments over the relevant temperature and fluence range. A novel methodology has therefore been proposed and developed to quantify total irradiation damage evolution at crystal level based on graphite Raman G-band position shift. Specifically, G-band positions derived from a large number of spectra collected from the fractured surface of microfine-grained POCO ZXF-5Q graphite possessing proton irradiation damage gradient were plotted with open literature Raman data on HOPG, BEPO (AXGP graphite), PCEA and IG-110 graphite as a function of dpa. The total damage level within 2σ beam radius in this POCO graphite was estimated to be equivalent to ~2–5 dpa at ~350–370 °C. Derived G-band positions were then mapped to the three-stage amorphization trajectory model indicating beam centre area has entered the second stage, i.e., transitioning from nanocrystalline graphite into amorphous carbon. G-band position relative shift (ΔG) curve with a ‘turn-around’ peak as a function of total damage can be used for in-service lifetime prediction. Importantly, the developed methodology has the potential to ‘unify’ total damage levels across different grades of nuclear graphite caused by ion, neutron and proton irradiation at different temperatures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1982

Mesospheric water vapor

Water vapor in the earth's mesosphere has been observed at the frequency of 22.235 GHz as an absorption against the sun by utilizing a ground-based radio telescope. The H2O mixing ratio of 4.3 + or - 1 ppm is obtained in the height 40-70 km for a constant distribution model. The data are equally well represented by a photochemical model of Crutzen (1974), which was scaled by a factor of 0.93 yielding a peak mixing ratio of 6 + or - 1 ppm at 55 km. These results are 3-day averages during November 1979, where the averaging periods cover the about + or - 4 hours of the sun's transit of our meridian. The measurements are insensitive to H2O above 70 km, where the absorption is very weak. It is not possible to estimate the mixing ratios below 50 km, since the pressure broadening in the line exceeds the bandwidth of our spectrometer at the lower altitudes.

Deguchi, S.↗
NASA NTRS1986

Diurnal variation of outgoing longwave radiation in the tropics

The diurnal harmonic in longwave emission in the tropical belt (30 deg N-30 deg S) is estimated from nine years of NOAA polar-orbiting satellite data. The results are compared successfully with Nimbus-7 ERB scanner data and with GOES-West geosynchronous satellite data. An interesting and consistent diurnal variation in longwave emission is found over the regions of intense oceanic convection, such as the ITCZ and SPCZ regions, with a peak-to-peak variation of 6-8 W/sq m and a maximum in the morning (0600-1200 LST). Histogram analysis indicates that this variation is associated with a diurnal variation in convective cloud (about 400 mb). Over regions of very intense convection, a diurnal variation of very high clouds (above 100 mb), which is out of phase with the variations at lower levels in the atmosphere, reduces the magnitude of the diurnal harmonic in longwave emission. It is interesting that histograms based on data averaged over 8-km and 250-km boxes give the same qualitative information about cloud and emission variability.

Hartmann, D. L.↗
NASA NTRS1991

Characterization of a 5-eV neutral atomic oxygen beam facility

An experimental effort to characterize an existing 5-eV neutral atomic oxygen beam facility being developed at Princeton Plasma Physics Laboratory is described. This characterization effort includes atomic oxygen flux and flux distribution measurements using a catalytic probe, energy determination using a commercially designed quadrupole mass spectrometer (QMS), and the exposure of oxygen-sensitive materials in this beam facility. Also, comparisons were drawn between the reaction efficiencies of materials exposed in plasma ashers, and the reaction efficiencies previously estimated from space flight experiments. The results of this study show that the beam facility is capable of producing a directional beam of neutral atomic oxygen atoms with the needed flux and energy to simulate low Earth orbit (LEO) conditions for real time accelerated testing. The flux distribution in this facility is uniform to +/- 6 percent of the peak flux over a beam diameter of 6 cm.

Vaughn, J. A.↗
NASA NTRS1992

Water vapor profiling over ocean surface with 90 GHz and 183 GHz measurements under clear and cloudy conditions

Radiometric measurements at 90 GHz and three sideband frequencies near the peak water vapor absorption line of 183.3 GHz were made with the Advanced Microwave Moisture Sounder (AMMS) aboard the NASA DC-8 aircraft over some regions of the Pacific Ocean. These measurements were used to retrieve atmospheric water vapor profiles over ocean surface using the algorithm developed by Schaerer and Wilheit (1979). The algorithm incorporates a mechanism to estimate cloud liquid water when the estimated relative humidity is greater than 95 percent. The results are compared with estimated values from measurements taken by the Special Sensor Microwave/Imager (SSMI) and TIROS Operational Vertical Sounder (TOVS). The water vapor profiles estimated from AMMS are generally higher at low altitudes and lower at high altitudes than those from the TOVS measurements. Cloud liquid water is retrieved from both AMMS and SSM/I measurements over the same general regions. The retrieved water vapor profiles show more fluctuations in these regions. It is concluded that the AMMS with only four channels of measurements may not be able to retrieve both water vapor and cloud information with authority.

Wang, J. R.↗
NASA NTRS1994

Scalability study of parallel spatial direct numerical simulation code on IBM SP1 parallel supercomputer

The implementation and the performance of a parallel spatial direct numerical simulation (PSDNS) code are reported for the IBM SP1 supercomputer. The spatially evolving disturbances that are associated with laminar-to-turbulent in three-dimensional boundary-layer flows are computed with the PS-DNS code. By remapping the distributed data structure during the course of the calculation, optimized serial library routines can be utilized that substantially increase the computational performance. Although the remapping incurs a high communication penalty, the parallel efficiency of the code remains above 40% for all performed calculations. By using appropriate compile options and optimized library routines, the serial code achieves 52-56 Mflops on a single node of the SP1 (45% of theoretical peak performance). The actual performance of the PSDNS code on the SP1 is evaluated with a 'real world' simulation that consists of 1.7 million grid points. One time step of this simulation is calculated on eight nodes of the SP1 in the same time as required by a Cray Y/MP for the same simulation. The scalability information provides estimated computational costs that match the actual costs relative to changes in the number of grid points.

Hanebutte, Ulf R.↗
NASA NTRS2000

Earth Rotation and Coupling to Changes in Atmospheric Angular Momentum

The research supported under the contract dealt primarily with: (a) the mechanisms responsible for the exchange of angular momentum between the solid Earth and atmosphere; (b) the quality of the data sets used to estimate atmospheric angular momentum; and (c) the ability of these data and of global climate models to detect low-frequency signals in the momentum and, hence, circulation of the atmosphere. Three scientific papers reporting on the results of this research were produced during the course of the contract. These papers identified the particular torques responsible for the peak in atmospheric angular momentum and length-of-day during the 1982-93 El Nino event, and, more generally, the relative roles of torques over land and ocean in explaining the broad spectrum of variability in the length-of-day. In addition, a tendency for interannual variability in atmospheric angular momentum to increase during the last several decades of the 20th century was found in both observations and a global climate model experiment.

Rosen, Richard D.↗
NASA NTRS2012

The Role of Forcing and Internal Dynamics in explaining the 'Medieval Climate Anomaly'

Proxy reconstructions suggest that peak global temperature during the past warm interval known as the Medieval Climate Anomaly (MCA, roughly 950-1250 AD) has been exceeded only during the most recent decades. To better understand the origin of this warm period, we use model simulations constrained by data assimilation establishing the spatial pattern of temperature changes that is most consistent with forcing estimates, model physics and the empirical information contained in paleoclimate proxy records. These numerical experiments demonstrate that the reconstructed spatial temperature pattern of the MCA can be explained by a simple thermodynamical response of the climate system to relatively weak changes in radiative forcing combined with a modification of the atmospheric circulation, displaying some similarities with the positive phase of the so-called Arctic Oscillation, and with northward shifts in the position of the Gulf Stream and Kuroshio currents. The mechanisms underlying the MCA are thus quite different from anthropogenic mechanisms responsible for modern global warming.

Goossee, Hugues↗
NASA NTRS2016

Asteroid Fragmentation Approaches for Modeling Atmospheric Energy Deposition

During asteroid entry, energy is deposited in the atmosphere through thermal ablation and momentum-loss due to aerodynamic drag. Analytic models of asteroid entry and breakup physics are used to compute the energy deposition, which can then be compared against measured light curves and used to estimate ground damage due to airburst events. This work assesses and compares energy deposition results from four existing approaches to asteroid breakup modeling, and presents a new model that combines key elements of those approaches. The existing approaches considered include a liquid drop or "pancake" model where the object is treated as a single deforming body, and a set of discrete fragment models where the object breaks progressively into individual fragments. The new model incorporates both independent fragments and aggregate debris clouds to represent a broader range of fragmentation behaviors and reproduce more detailed light curve features. All five models are used to estimate the energy deposition rate versus altitude for the Chelyabinsk meteor impact, and results are compared with an observationally derived energy deposition curve. Comparisons show that four of the five approaches are able to match the overall observed energy deposition profile, but the features of the combined model are needed to better replicate both the primary and secondary peaks of the Chelyabinsk curve.

Modeling↗