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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nanoscale determinant to brighten up GaN:Eu red light-emitting diode: Local potential of Eu-defect complexes

Emission sites in GaN:Eu red light-emitting diodes (LEDs) were investigated using a new spectroscopy technique, namely, site-selective pulse-driven emission spectroscopy (PDES). The PDES, in which the emission intensity of a pulse-driven LED is recorded with respect to the pulse frequency, revealed the charge-trapping dynamics of the Eu emission sites. We found that a determinant of the emission intensity of the sites was not their relative abundance, but rather the spatial extent of the local potential, which determines the effectiveness of the capture of injection charges. Minor sites with wider potentials enhanced the emission intensity of the LED, resulting in emission spectra that differ from those obtained using the photoluminescence of a GaN:Eu thin film. The potential curve is determined by the atomic structure of the complexes, which consist of a Eu dopant and nearby defects in the GaN host. The extent was characterized by a parameter, namely, cutoff frequency, and the emission sites with the wider and narrower potentials in the GaN:Eu LED were found to have cutoff frequencies of 400 kHz and 3 MHz, respectively. The cutoff frequency of 3 MHz was found to be the upper limit for emission sites in the LED. The emission site with the wider potential is useful for slower devices such as light fixtures, while the site with the narrower potential is useful for faster devices such as opto-isolators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Determination of deep trapping lifetime in organic semiconductors using impedance spectroscopy

A method for determining deep trapping lifetime in semiconductors using an impedance spectroscopy is proposed. A unique feature of the method is the simultaneous determination of the drift mobility and deep trapping lifetime in thin-film electronic devices. The validity of the proposed method is examined by numerical calculation. Simultaneous determinations of the drift mobility and deep trapping lifetime using this method are demonstrated in prototypical hole transporting organic semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A modified time-of-flight method for precise determination of high speed ratios in molecular beams

Time-of-flight (TOF) is a standard experimental technique for determining, among others, the speed ratio S (velocity spread) of a molecular beam. The speed ratio is a measure for the monochromaticity of the beam and an accurate determination of S is crucial for various applications, for example, for characterising chromatic aberrations in focussing experiments related to helium microscopy or for precise measurements of surface phonons and surface structures in molecular beam scattering experiments. For both of these applications, it is desirable to have as high a speed ratio as possible. Molecular beam TOF measurements are typically performed by chopping the beam using a rotating chopper with one or more slit openings. The TOF spectra are evaluated using a standard deconvolution method. However, for higher speed ratios, this method is very sensitive to errors related to the determination of the slit width and the beam diameter. The exact sensitivity depends on the beam diameter, the number of slits, the chopper radius, and the chopper rotation frequency. We present a modified method suitable for the evaluation of TOF measurements of high speed ratio beams. The modified method is based on a systematic variation of the chopper convolution parameters so that a set of independent measurements that can be fitted with an appropriate function are obtained. We show that with this modified method, it is possible to reduce the error by typically one order of magnitude compared to the standard method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Determination of polarization fields in group III-nitride heterostructures by capacitance-voltage-measurements

The polarization fields in wurtzite group III-nitrides strongly influence the optical properties of InAlGaN-based light emitters, e.g., the electron and hole wave function overlap in quantum wells. In this paper, we propose a new approach to determine these fields by capacitance-voltage measurements (CVM). Sheet charges generated by a change of the microscopic polarization at heterointerfaces influence the charge distribution in PIN junctions and therefore the depletion width and the capacitance. We show that it is possible to determine the strength and direction of the internal fields by comparing the depletion widths of two PIN junctions, one influenced by internal polarization fields and one without as a reference. For comparison, we conducted coupled Poisson/carrier transport simulations on the CVM of the polarization-influenced sample. We also demonstrate the feasibility and limits of the method by determining the fields in GaN/InGaN and GaN/AlGaN double heterostructures on (0001) c-plane grown by metal organic vapor phase epitaxy and compare both evaluation methods. The method yields (−0.50 ± 0.07) MV/cm for In{sub 0.08}Ga{sub 0.92}N/GaN, (0.90 ± 0.13) MV/cm for Al{sub 0.18}Ga{sub 0.82}N/GaN, and (2.0 ± 0.3) MV/cm for Al{sub 0.31}Ga{sub 0.69}N/GaN heterostructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A simple spectroscopic method to determine the degree of dissociation in hydrogen plasmas with wide-range spectrometer

A new and simple method for determining the degree of dissociation in hydrogen plasmas is presented. In this method, wide-range spectrum covering from an atomic H-γ line (434.05 nm) to molecular Fulcher-α band (600-640 nm) is measured simultaneously by a wide-range miniature spectrometer. Since the wide-range spectrum measured by the miniature spectrometer is too broadened to resolve respective lines in the Fulcher-α band, a synthetic spectrum method is applied to improve the accuracy in the Q-branch of Fulcher-α band intensity measurement. In order to reduce the influence from other transitions or anomalous P- and R-branch of Fulcher-α spectrum, the Fulcher-α spectra of which vibrational states are higher than 1 (υ ≥ 1) are synthesized using the rotational temperature obtained by the 0-0 Fulcher-α spectrum. The degree of dissociation is determined from the intensity ratio between H-γ line and the synthesized Fulcher-α band spectrum. A comparative study carried out in a volume-produced negative hydrogen ion source shows that the degree of dissociation determined by this method agrees well with the measured values using a spectrometer with high spectral resolution. The present method is expected to be useful to characterize the plasma sources with molecular species since it provides important parameters for understanding neutral particle behaviors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Diagnostic for determining the mix in inertial confinement fusion capsule hotspot

A diagnostic is developed for determining the hotspot mix in inertial confinement fusion experiments. A multi-channel pinhole camera measures Bremsstrahlung emissions from implosion capsules ranging from 6 keV to 30 keV and records an image of the hotspot. Meanwhile, a planar crystal spectrometer measures Ar line emissions used to deduce the electron density of the hotspot. An X-ray streaked camera records the burn duration. With the Bremsstrahlung spectrum, electron density, hotspot volume, and burn duration, the mix quantity is determined by solving a pair of linear equations. This inferred mix amount has an uncertainty due to the uncertainty of the electron density, but with the help of the measured neutron product, the most likely mix quantity value can be determined. This technique is applied to experimental images to infer the quantity of CH ablator mix into the hotspot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

SVD-aided pseudo principal-component analysis: A new method to speed up and improve determination of the optimum kinetic model from time-resolved data

Determination of the optimum kinetic model is an essential prerequisite for characterizing dynamics and mechanism of a reaction. Here, we propose a simple method, termed as singular value decomposition-aided pseudo principal-component analysis (SAPPA), to facilitate determination of the optimum kinetic model from time-resolved data by bypassing any need to examine candidate kinetic models. We demonstrate the wide applicability of SAPPA by examining three different sets of experimental time-resolved data and show that SAPPA can efficiently determine the optimum kinetic model. In addition, the results of SAPPA for both time-resolved X-ray solution scattering (TRXSS) and transient absorption (TA) data of the same protein reveal that global structural changes of protein, which is probed by TRXSS, may occur more slowly than local structural changes around the chromophore, which is probed by TA spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Thermal diffusivity determination using heterodyne phase insensitive transient grating spectroscopy

The elastic and thermal transport properties of opaque materials may be measured using transient grating spectroscopy (TGS) by inducing and monitoring periodic excitations in both reflectivity and surface displacement. The “phase grating” response encodes both properties of interest, but complicates quantitative analysis by convolving temperature dynamics with surface displacement dynamics. Hence, thermal transport characteristics are normally determined using the “amplitude grating” response to isolate the surface temperature dynamics. Yet, this signal character requires absolute heterodyne phase calibration and contains no elastic property information. Here, a method is developed by which phase grating TGS measurements may be consistently analyzed to determine thermal diffusivity with no prior knowledge of the expected properties. To demonstrate this ability, the wavelength-dependent 1D effective thermal diffusivity of pure germanium is measured using this type of response and found to be consistent with theoretical predictions made by solving the Boltzmann transport equation. This ability to determine the elastic and thermal properties from a single set of TGS measurements will be particularly advantageous for new in situ implementations of the technique being used to study dynamic materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sound speed determination in copper shock compressed to 190 GPa

Sound speed measurements in shock compressed solids have long been valuable for the development of equations of state at extreme conditions, shock-induced phase transformations, and a comprehensive characterization of the thermophysical response of high-pressure standards. We present results from plate impact experiments to 190 GPa to determine the longitudinal sound speed in copper—an important high-pressure standard. Surprisingly, the sound speeds determined using the two most common experimental techniques—the front surface impact (FSI) approach and the release wave overtake (RWO) approach—diverge significantly for stresses greater than ~100 GPa. Further analyses, including numerical simulations, show that the FSI experiments provide the correct sound speeds and that fundamental assumptions underlying the RWO method are likely violated due to the complex release response of shock compressed copper. The sound speeds determined using the FSI approach provide for a more accurate high-pressure description of copper in dynamic compression experiments. The present findings are in contrast to the results for shock compressed silver [Wallace et al., Phys. Rev. B 104, 214106 (2021)], where both methods provided consistent sound speed results. Thus, the findings presented here demonstrate the need to experimentally verify the validity of the RWO method on a case-by-case basis. Finally, we note that even at the high stresses in the present work, the copper unloading response shows a time-dependent, quasielastic response often observed in metals at lower stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Assessing the use of reflectance spectroscopy in determining CsCl stress in the model species Arabidopsis thaliana

Here, reflectance spectroscopy is a rapid and non-destructive analytical technique that may be used for assessing plant stress, and has potential applications for use in remediation. Changes in reflectance such as that due to metal stress may occur before damage is visible, and existing studies have shown that metal stress does cause changes in plant reflectance. To further investigate the potential use of reflectance spectroscopy as a method for assessing metal stress in plants, an exploratory study was conducted in which Arabidopsis thaliana plants were treated twice weekly in a laboratory setting with varying levels (0, 0.5, or 5 mM (millimolar)) of caesium chloride (CsCl) solution, and reflectance spectra were collected every week for three weeks using an Analytical Spectral Devices FieldSpec Pro spectroradiometer with both a contact probe (CP) and a field of view (FOV) probe at 36.8 and 66.7 cm, respectively, above the plant. Plants were harvested each week after spectra collection for determination of relative water content and chlorophyll content. A visual assessment of the plants was also conducted using point observations on a uniform grid of 81 points. A mixed-effects model analysis was conducted for each vegetation index (VI) considered to determine the effects of length of treatment, treatment level, view with which spectra were acquired, and the interactions of these terms. Two-way analyses of variance (ANOVAs) were performed on the aforementioned endpoints (e.g. chlorophyll content) to determine the significance of the effects of treatment level and length of treatment. Multiple linear regression (MLR) was used to develop a predictive model for each endpoint, considering VI acquired at each view (CP, high FOV, and low FOV). Of the 14 VI considered, 8 were included in the MLR models. Contact probe readings and FOV readings differed significantly, but FOV measurements were generally consistent at each height.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Systematic Source Determination and X-Ray Radiography Detection of Nonuniformities on High-Density Carbon Ablators

Recent deuterium-tritium (D-T)–layered implosion experiments at the National Ignition Facility have achieved a burning plasma and >1-MJ neutron yield. A series of repeat experiments have shown that the degree of performance is very likely dependent on capsule quality, including the quantity of what are collectively termed “high- Z particles.” These particles are detected on a custom-built radiography system, known as the Sagometer, during the final target qualification process. The term particles is misleading, as the source of these nonuniformities in the capsule images is uncertain; the term detection will be used instead. An increased number of D-T targets have been rejected at the final stages of production due to Sagometer detections. Late detections are deleterious in terms of loss of production parts, effort, and overall operating efficiency. In response, we undertook an effort to determine the origin of these detections and to ultimately mitigate target losses caused by them. Through careful testing and analysis, we have determined neither insufficient production cleanliness nor hohlraum shedding is responsible for the detections on the capsule. Here, we determined that the detections are inherent to the capsule and have made efforts to use the Zeiss Xradia to identify them earlier in the production process. While testing revealed the Xradia is not currently sufficient for identifying such particles using radiography images, we continue to look to other forms of metrology to down select the capsules early in the process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

AGE DETERMINATION FOR 346 NEARBY STARS IN THE HERSCHEL DEBRIS SURVEY

DEBRIS is a flux-limited survey of nearby stars (spectral types A-M) for evidence of debris disks with the Herschel Space Observatory. One goal of the survey is to determine disk incidence as a function of various stellar parameters. Understanding debris disk evolution depends on knowledge of the precise age of stars around which these debris disks are found. However, finding ages for field stars is notoriously difficult. Furthermore, in an unbiased sample like DEBRIS, one is working with stars across many spectral types. This requires a multi-method approach to age determination. In this paper, we outline several methods of age determination broken down by spectral type, including some strengths and limitations of each method. In total, we were able to calculate ages for 263 of 274 F-, G-, and K-type stars, and all 83 A-type stars in the DEBRIS sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

SPECTROSCOPIC METALLICITY DETERMINATIONS FOR W UMa-TYPE BINARY STARS

This study is the first attempt to determine the metallicities of W UMa-type binary stars using spectroscopy. We analyzed about 4500 spectra collected at the David Dunlap Observatory. To circumvent problems caused by the extreme spectral line broadening and blending and by the relatively low quality of the data, all spectra were subject to the same broadening function (BF) processing to determine the combined line strength in the spectral window centered on the Mg I triplet between 5080 A and 5285 A. All individual integrated BFs were subsequently orbital-phase averaged to derive a single line-strength indicator for each star. The star sample was limited to 90 W UMa-type (EW) binaries with the strict phase-constancy of colors and without spectral contamination by spectroscopic companions. The best defined results were obtained for an F-type sub-sample (0.32 < (B - V){sub 0} < 0.62) of 52 binaries for which integrated BF strengths could be interpolated in the model atmosphere predictions. The logarithmic relative metallicities, [M/H], for the F-type sub-sample indicate metal abundances roughly similar to the solar metallicity, but with a large scatter which is partly due to combined random and systematic errors. Because of the occurrence of a systematic color trend resulting from inherent limitations in our approach, we were forced to set the absolute scale of metallicities to correspond to that derived from the m{sub 1} index of the Stroemgren uvby photometry for 24 binaries of the F-type sub-sample. The trend-adjusted metallicities [M/H]{sub 1} are distributed within -0.65 < [M/H]{sub 1} < +0.50, with the spread reflecting genuine metallicity differences between stars. One half of the F-sub-sample binaries have [M/H]{sub 1} within -0.37 < [M/H]{sub 1} < +0.10, a median of -0.04 and a mean of -0.10, with a tail toward low metallicities, and a possible bias against very high metallicities. A parallel study of kinematic data, utilizing the most reliable and recently obtained proper motion and radial velocity data for 78 binaries of the full sample, shows that the F-type sub-sample binaries (44 stars with both velocities and metallicity determinations) have similar kinematic properties to solar-neighborhood, thin-disk dwarfs with space velocity component dispersions: {sigma}U = 33 km s{sup -1}, {sigma}V = 23 km s{sup -1} and {sigma}W = 14 km s{sup -1}. FU Dra with a large spatial velocity, V{sub tot} = 197 km s{sup -1} and [M/H]{sub 1} = -0.6 {+-} 0.2, appears to be the only thick-disk object in the F-type sub-sample. The kinematic data indicate that the F-type EW binaries are typical, thin-disk population stars with ages about 3-5.5 Gyr. The F-type binaries that appear to be older than the rest tend to have systematically smaller mass ratios than most of the EW binaries of the same period.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ANALYSIS OF TWO SMALL MAGELLANIC CLOUD H II REGIONS CONSIDERING THERMAL INHOMOGENEITIES: IMPLICATIONS FOR THE DETERMINATIONS OF EXTRAGALACTIC CHEMICAL ABUNDANCES

We present long-slit spectrophotometry considering the presence of thermal inhomogeneities (t{sup 2}) of two H II regions in the Small Magellanic Cloud (SMC): NGC 456 and NGC 460. Physical conditions and chemical abundances were determined for three positions in NGC 456 and one position in NGC 460, first under the assumption of uniform temperature and then allowing for the possibility of thermal inhomogeneities. We determined t{sup 2} values based on three different methods: (1) by comparing the temperature derived using oxygen forbidden lines with the temperature derived using helium recombination lines (RLs), (2) by comparing the abundances derived from oxygen forbidden lines with those derived from oxygen RLs, and (3) by comparing the abundances derived from ultraviolet carbon forbidden lines with those derived from optical carbon RLs. The first two methods averaged t{sup 2} = 0.067 {+-} 0.013 for NGC 456 and t{sup 2} = 0.036 {+-} 0.027 for NGC 460. These values of t{sup 2} imply that when gaseous abundances are determined with collisionally excited lines they are underestimated by a factor of nearly two. From these objects and others in the literature, we find that in order to account for thermal inhomogeneities and dust depletion, the O/H ratio in low-metallicity H II regions should be corrected by 0.25-0.45 dex depending on the thermal structure of the nebula or by 0.35 dex if such information is not available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

An empirical determination of the intergalactic background light using near-infrared deep galaxy survey data out to 5 μm and the gamma-ray opacity of the universe

We extend our previous model-independent determination of the intergalactic background light, based purely on galaxy survey data, out to a wavelength of 5 μm. Our approach enables us to constrain the range of photon densities, based on the uncertainties from observationally determined luminosity densities and colors. We further determine a 68% confidence upper and lower limit on the opacity of the universe to γ-rays up to energies of 1.6/(1 + z) TeV. A comparison of our lower limit redshift-dependent opacity curves to the opacity limits derived from the results of both ground-based air Cerenkov telescope and Fermi-LAT observations of PKS 1424+240 allows us to place a new upper limit on the redshift of this source, independent of IBL modeling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Laboratory determination of the infrared band strengths of pyrene frozen in water ice: Implications for the composition of interstellar ices

Broad infrared emission features (e.g., at 3.3, 6.2, 7.7, 8.6, and 11.3 μm) from the gas phase interstellar medium have long been attributed to polycyclic aromatic hydrocarbons (PAHs). A significant portion (10%-20%) of the Milky Way's carbon reservoir is locked in PAH molecules, which makes their characterization integral to our understanding of astrochemistry. In molecular clouds and the dense envelopes and disks of young stellar objects (YSOs), PAHs are expected to be frozen in the icy mantles of dust grains where they should reveal themselves through infrared absorption. To facilitate the search for frozen interstellar PAHs, laboratory experiments were conducted to determine the positions and strengths of the bands of pyrene mixed with H{sub 2}O and D{sub 2}O ices. The D{sub 2}O mixtures are used to measure pyrene bands that are masked by the strong bands of H{sub 2}O, leading to the first laboratory determination of the band strength for the CH stretching mode of pyrene in water ice near 3.25 μm. Our infrared band strengths were normalized to experimentally determined ultraviolet band strengths, and we find that they are generally ∼50% larger than those reported by Bouwman et al. based on theoretical strengths. These improved band strengths were used to reexamine YSO spectra published by Boogert et al. to estimate the contribution of frozen PAHs to absorption in the 5-8 μm spectral region, taking into account the strength of the 3.25 μm CH stretching mode. It is found that frozen neutral PAHs contain 5%-9% of the cosmic carbon budget and account for 2%-9% of the unidentified absorption in the 5-8 μm region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE EFFECTS OF MAGNETIC FIELD MORPHOLOGY ON THE DETERMINATION OF OXYGEN AND IRON ABUNDANCES IN THE SOLAR PHOTOSPHERE

We have explored the impact of magnetic fields on the determination of the solar photospheric oxygen and iron abundances using three-dimensional radiation-magnetohydrodynamic (MHD) simulations of convection. Specifically, we examined differences in abundance deduced from three classes of atmospheres simulated with the MURaM code: a pure hydrodynamic (HD) simulation, an MHD simulation with a local dynamo magnetic field that has saturated with an unsigned vertical field strength of 80 G at τ = 1, and an MHD simulation with an initially imposed vertical mean field of 80 G. We use differential equivalent width analysis for diagnosing abundances derived from five oxygen and four iron lines of differing wavelength, oscillator strength, excitation potential, and Landé g-factor, and find that the morphology of the magnetic field is important to the outcome of abundance determinations. The largest deduced abundance differences are found in the vertical mean field simulations, where the O I and Fe I abundance corrections compared to the pure HD case are ∼+0.011 dex and +0.065 dex respectively. Small scale unresolved field resulting from the local dynamo has a smaller impact on abundance determinations, with corrections of –0.0001 dex and +0.0044 dex in the magnetized compared to the pure HD simulations. While the overall influence of magnetic field on abundance estimates is found to be small, we stress that such estimates are sensitive not only to the magnitude of magnetic field but also to its morphology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

DETERMINING THE COVERING FACTOR OF COMPTON-THICK ACTIVE GALACTIC NUCLEI WITH NuSTAR

The covering factor of Compton-thick (CT) obscuring material associated with the torus in active galactic nuclei (AGNs) is at present best understood through the fraction of sources exhibiting CT absorption along the line of sight (N{sub H} > 1.5 × 10{sup 24} cm{sup −2}) in the X-ray band, which reveals the average covering factor. Determining this CT fraction is difficult, however, due to the extreme obscuration. With its spectral coverage at hard X-rays (>10 keV), Nuclear Spectroscopic Telescope Array (NuSTAR) is sensitive to the AGNs covering factor since Compton scattering of X-rays off optically thick material dominates at these energies. We present a spectral analysis of 10 AGNs observed with NuSTAR where the obscuring medium is optically thick to Compton scattering, so-called CT AGNs. We use the torus models of Brightman and Nandra that predict the X-ray spectrum from reprocessing in a torus and include the torus opening angle as a free parameter and aim to determine the covering factor of the CT gas in these sources individually. Across the sample we find mild to heavy CT columns, with N{sub H} measured from 10{sup 24} to 10{sup 26} cm{sup −2}, and a wide range of covering factors, where individual measurements range from 0.2 to 0.9. We find that the covering factor, f{sub c}, is a strongly decreasing function of the intrinsic 2–10 keV luminosity, L{sub X}, where f{sub c} = (−0.41 ± 0.13)log{sub 10}(L{sub X}/erg s{sup −1})+18.31 ± 5.33, across more than two orders of magnitude in L{sub X} (10{sup 41.5}–10{sup 44} erg s{sup −1}). The covering factors measured here agree well with the obscured fraction as a function of L{sub X} as determined by studies of local AGNs with L{sub X} > 10{sup 42.5} erg s{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗