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NASA NTRS2022

A Radiative Transfer Simulator for PACE: Theory and Applications

A radiative transfer simulator was developed to compute the synthetic data of all three instruments onboard NASA’s Plankton Aerosol, Cloud, ocean Ecosystem (PACE) observatory, at the top of the atmosphere (TOA). The instrument suite includes the ocean color instrument (OCI), the HyperAngular Rainbow Polarimeter 2 (HARP2), and the Spectro-Polarimeter for Planetary Exploration 1 (SPEXone). The PACE simulator is wrapped around a monochromatic radiative transfer model based on the successive order of scattering (RTSOS), which accounts for atmosphere and ocean coupling, polarization, and gas absorption. Inelastic scattering, including Raman scattering from pure ocean water, fluorescence due to chlorophyll, and colored dissolved organic matter (CDOM), is also simulated. This PACE simulator can be used to explore the sensitivity of the hyperspectral and polarized reflectance of the Earth system with tunable atmosphere and ocean parameters, which include aerosol and cloud number concentration, refractive indices, and size distribution, ocean particle microphysical parameters, and solar and sensor-viewing geometry. The PACE simulator is used to study two important case studies. One is the impact of the significant uncertainty in pure ocean water absorption coefficient to the radiance field in the ultraviolet (UV) spectral region, which can be as much as 6%. The other is the influence of different amounts of brown carbon aerosols and CDOM on the polarized radiance field at TOA. The percentage variation of the radiance field due to CDOM is mostly for wavelengths smaller than 600 nm, while brown aerosols affect the whole spectrum from 350 to 890 nm, primarily due to covaried soot aerosols. Both case studies are important for aerosol and ocean color remote sensing and have not been previously reported in the literature.

PACE↗
DOE OSTI2015

Modern Radiation Therapy for Extranodal Lymphomas: Field and Dose Guidelines From the International Lymphoma Radiation Oncology Group

Extranodal lymphomas (ENLs) comprise about a third of all non-Hodgkin lymphomas (NHL). Radiation therapy (RT) is frequently used as either primary therapy (particularly for indolent ENL), consolidation after systemic therapy, salvage treatment, or palliation. The wide range of presentations of ENL, involving any organ in the body and the spectrum of histological sub-types, poses a challenge both for routine clinical care and for the conduct of prospective and retrospective studies. This has led to uncertainty and lack of consistency in RT approaches between centers and clinicians. Thus far there is a lack of guidelines for the use of RT in the management of ENL. This report presents an effort by the International Lymphoma Radiation Oncology Group (ILROG) to harmonize and standardize the principles of treatment of ENL, and to address the technical challenges of simulation, volume definition and treatment planning for the most frequently involved organs. Specifically, detailed recommendations for RT volumes are provided. We have applied the same modern principles of involved site radiation therapy as previously developed and published as guidelines for Hodgkin lymphoma and nodal NHL. We have adopted RT volume definitions based on the International Commission on Radiation Units and Measurements (ICRU), as has been widely adopted by the field of radiation oncology for solid tumors. Organ-specific recommendations take into account histological subtype, anatomy, the treatment intent, and other treatment modalities that may be have been used before RT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2000

Ground Based, Millimeter Wave Measurement of Ozone in the Middle Atmosphere

There is a need for highly reliable measurements of stratospheric ozone. Policy makers worldwide concerned with public health rely oil a clear consensus from the scientific community as a basis for ozone-related environmental policy that has a significant impact oil national economies. Tile latest Such consensus was presented in WMO, and used in a 1999 meeting of the parties considering amendments to the Montreal Protocol oil Substances that Deplete the Ozone Layer. Tile scientific community, in turn, needs highly precise and accurate measurements of ozone levels, and small time derivatives of these levels, both in continued - development of its understanding of the physical and chemical processes involved and as clear evidence that these processes are occurring as stated. Over most of the world, changes in ozone levels are small. For example, over the heavily populated northern midlatitudes, the linearized rate of ozone decline is between 0.2% per year and 0.7% per year, depending on altitude. These values are small enough to make measurement requirements technically challenging. Data quality may suffer from imperfections in individual instruments. In one instance, early results from a satellite-borne ozone sensor were later found to be invalid because of calibration drift. Even in the absence of drift, tile absolute calibration of a new sensor may differ slightly from that of its predecessor in service. Most ozone remote sensing instruments operate at ultraviolet or infrared wavelengths where scattering from dust and aerosols must be taken into account; results from these systems may be or are affected following a major volcanic eruption, such as tile one at Mt. Pinatubo in 1991. Given these difficulties, a consensus of measurements from several independent systems is required to insure a reliable understanding of stratospheric ozone levels. Because of the above-described need for highly precise and accurate ozone measurements using several independent techniques, there was interest in developing several techniques which were known but not highly developed in the 1980's into systems capable of being used in ail operational manner to make measurements with the level of quality needed to-detect small trends in ozone levels. A ground-based microwave instrument capable of remotely sensing stratospheric ozone had been designed by tile Principal Investigator of the present project. This instrument was built at tile Millitech Corporation in South Deerfield, Massachusetts before tile present work began. (Funding for design and construction of the instrument came from sources other than the present grant.) Tile instrument measured the spectrum of one of the many emission lines produced by purely rotational transitions of ozone, one at a frequency of 110.8 GHz. The altitude distribution of ozone can. in principle, be retrieved from the details of the pressure-broadened spectrum of the ozone transition. However, the level of contamination of the spectral measurement by instrumentally induced artifacts must be very low in order to retrieve a ozone profile of useful quality from it. The Millitech instrument demonstrated spectral purity at ail adequate level, and there were promising ideas for instrumental improvements and for further development of the technique. The initial objectives of the present project, then, were to develop techniques for calibrating the Millitech instrument, to minimize artifacts in tile spectra it produces, to optimally retrieve ozone profiles from tile spectra, to test tile quality of the microwave profiles by comparing them with profiles obtained using several other, independent techniques over both short and periods of time, and to perform research using the ozone data gathered with the instrument.

Parrish, Alan↗
DOE OSTI2012

BRIGHTNESS AND FLUCTUATION OF THE MID-INFRARED SKY FROM AKARI OBSERVATIONS TOWARD THE NORTH ECLIPTIC POLE

We present the smoothness of the mid-infrared sky from observations by the Japanese infrared astronomical satellite AKARI. AKARI monitored the north ecliptic pole (NEP) during its cold phase with nine wave bands covering from 2.4 to 24 {mu}m, out of which six mid-infrared bands were used in this study. We applied power-spectrum analysis to the images in order to search for the fluctuation of the sky brightness. Observed fluctuation is explained by fluctuation of photon noise, shot noise of faint sources, and Galactic cirrus. The fluctuations at a few arcminutes scales at short mid-infrared wavelengths (7, 9, and 11 {mu}m) are largely caused by the diffuse Galactic light of the interstellar dust cirrus. At long mid-infrared wavelengths (15, 18, and 24 {mu}m), photon noise is the dominant source of fluctuation over the scale from arcseconds to a few arcminutes. The residual fluctuation amplitude at 200'' after removing these contributions is at most 1.04 {+-} 0.23 nW m{sup -2} sr{sup -1} or 0.05% of the brightness at 24 {mu}m and at least 0.47 {+-} 0.14 nW m{sup -2} sr{sup -1} or 0.02% at 18 {mu}m. We conclude that the upper limit of the fluctuation in the zodiacal light toward the NEP is 0.03% of the sky brightness, taking 2{sigma} error into account.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A cascaded model of spectral distortions due to spectral response effects and pulse pileup effects in a photon-counting x-ray detector for CT

Purpose: Energy discriminating, photon-counting detectors (PCDs) are an emerging technology for computed tomography (CT) with various potential benefits for clinical CT. The photon energies measured by PCDs can be distorted due to the interactions of a photon with the detector and the interaction of multiple coincident photons. These effects result in distorted recorded x-ray spectra which may lead to artifacts in reconstructed CT images and inaccuracies in tissue identification. Model-based compensation techniques have the potential to account for the distortion effects. This approach requires only a small number of parameters and is applicable to a wide range of spectra and count rates, but it needs an accurate model of the spectral distortions occurring in PCDs. The purpose of this study was to develop a model of those spectral distortions and to evaluate the model using a PCD (model DXMCT-1; DxRay, Inc., Northridge, CA) and various x-ray spectra in a wide range of count rates. Methods: The authors hypothesize that the complex phenomena of spectral distortions can be modeled by: (1) separating them into count-rate independent factors that we call the spectral response effects (SRE), and count-rate dependent factors that we call the pulse pileup effects (PPE), (2) developing separate models for SRE and PPE, and (3) cascading the SRE and PPE models into a combined SRE+PPE model that describes PCD distortions at both low and high count rates. The SRE model describes the probability distribution of the recorded spectrum, with a photo peak and a continuum tail, given the incident photon energy. Model parameters were obtained from calibration measurements with three radioisotopes and then interpolated linearly for other energies. The PPE model used was developed in the authors’ previous work [K. Taguchi et al., “Modeling the performance of a photon counting x-ray detector for CT: Energy response and pulse pileup effects,” Med. Phys. 38(2), 1089–1102 (2011)]. The agreement between the x-ray spectra calculated by the cascaded SRE+PPE model and the measured spectra was evaluated for various levels of deadtime loss ratios (DLR) and incident spectral shapes, realized using different attenuators, in terms of the weighted coefficient of variation (COV{sub W}), i.e., the root mean square difference weighted by the statistical errors of the data and divided by the mean. Results: At low count rates, when DLR < 10%, the distorted spectra measured by the DXMCT-1 were in agreement with those calculated by SRE only, with COV{sub W}'s less than 4%. At higher count rates, the measured spectra were also in agreement with the ones calculated by the cascaded SRE+PPE model; with PMMA as attenuator, COV{sub W} was 5.6% at a DLR of 22% and as small as 6.7% for a DLR as high as 55%. Conclusions: The x-ray spectra calculated by the proposed model agreed with the measured spectra over a wide range of count rates and spectral shapes. The SRE model predicted the distorted, recorded spectra with low count rates over various types and thicknesses of attenuators. The study also validated the hypothesis that the complex spectral distortions in a PCD can be adequately modeled by cascading the count-rate independent SRE and the count-rate dependent PPE.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2003

X-ray QPOs from the Ultra-luminous X-ray Source in M82: Evidence Against Beaming

We report the discovery with the European Photon Imaging Camera (EPIC) CCD cameras onboard XMM-Newton of a 54 mHz quasiperiodic oscillation (QPO) in the greater than 2 keV X-ray flux from the ultra-luminous X-ray source (ULX) X41.4+60 in the starburst galaxy M82. This is the first detection of a QPO in the X-ray flux from an extra-Galactic ULX, and confirms that the source is a compact object. The QPO is detected in the combined PN and MOS data at the approx. 6sigma level, and separately at lower significances in both the PN and MOS instruments. It had a centroid frequency of 54.3 +/- 0.9 mHz, a coherence Q is identical with nu(sub 0)/Delta nu(sub fwhm) is approx. 5, and an amplitude (rms) in the 2 - 10 keV band of 8.5%. Below about 0.2 Hz the power spectrum can be described by a power-law with index approx. 1, and integrated amplitude (rms) of 13.5%. The X-ray spectrum requires a curving continuum, with a disk-blackbody (diskbb) at T = 3.1 keV providing an acceptable, but not unique, fit. A broad Fe line centered at 6.55 keV is required in all fits, but the equivalent width (EW) of the line is sensitive to the choice of continuum model. There is no evidence of a reflection component. The implied bolometric luminosity is approx. 4 - 5 x 10(exp 40) ergs/s. Data from several archival Rossi X-ray Timing Explorer (RXTE) pointings at M82 also show evidence for QPOs in the 50 - 100 mHz frequency range. Several Galactic black hole candidates (BHCs), including GRS 1915+105, GRO J1655-40, and XTE 1550-564, show QPOs in the same frequency range as the 50 - 100 mHz QPOs in X41.4+60, which at first glance suggests a possible connection with such objects. However, strong, narrow QPOs provide solid evidence for disk emission, and thus present enormous theoretical difficulties for models which rely on either geometrically or relativistically beamed emission to account for the high X-ray luminosities. We discuss the implications of our findings for models of the ULX sources.

Strohmayer, Tod E.↗
NASA NTRS2001

Response of Silicon-Based Linear Energy Transfer Spectrometers: Implication for Radiation Risk Assessment in Space Flights

There is considerable interest in developing silicon-based telescopes because of their compactness and low power requirements. Three such telescopes have been flown on board the Space Shuttle to measure the linear energy transfer spectra of trapped, galactic cosmic ray, and solar energetic particles. Dosimeters based on single silicon detectors have also been flown on the Mir orbital station. A comparison of the absorbed dose and radiation quality factors calculated from these telescopes with that estimated from measurements made with a tissue equivalent proportional counter show differences which need to be fully understood if these telescopes are to be used for astronaut radiation risk assessments. Instrument performance is complicated by a variety of factors. A Monte Carlo-based technique was developed to model the behavior of both single element detectors in a proton beam, and the performance of a two-element, wide-angle telescope, in the trapped belt proton field inside the Space Shuttle. The technique is based on: (1) radiation transport intranuclear-evaporation model that takes into account the charge and angular distribution of target fragments, (2) Landau-Vavilov distribution of energy deposition allowing for electron escape, (3) true detector geometry of the telescope, (4) coincidence and discriminator settings, (5) spacecraft shielding geometry, and (6) the external space radiation environment, including albedo protons. The value of such detailed modeling and its implications in astronaut risk assessment is addressed. c2001 Elsevier Science B.V. All rights reserved.

manned↗
DOE OSTI2021

Evaluation of Two-Dimensional to One-Dimensional Site Response for Idaho National Laboratory

We perform two-dimensional (2D) site response analyses accounting for spatial variability of soil properties and subsurface geometry of the Eastern Snake River Plane (ESRP), and quantify their effects on ground surface motion relative to one-dimensional (1D) site response analyses at the Idaho National Laboratory (INL). We first present the development of random field idealizations of the repeated basalt lava flows, heterogeneously inter-layered with sediments, from seismic velocity data collected over four decades in the ESRP. Using realizations of the stochastic fields mapped on 2D deterministic finite element models, we perform 2D viscoelastic and equivalent-linear wave propagation simulations, and quantify the mean and variance of site response aggravation factors, defined as the response spectral ratio of 2D to 1D analyses on the ground surface. Results are shown to be insensitive to the constitutive material behavior considered here, for strains induced by rock outcrop peak ground acceleration (PGA) as high as 0.7g: viscoelastic and equivalent-linear analyses predict peak mean 2D/1D aggravation factor 1.05 at period T=0.075 sec (i.e. the 2D response spectrum is 5% higher than the corresponding 1D at that period, on average), which corresponds to the wavelength of the horizontal correlation length of the random field (50m). For periods longer than the fundamental period of the site (here, T 1 =0.3125 sec), the propagating wavelengths are too long to be affected by the 1D site response and the aggravation factor becomes equal to 1. The standard deviation of the natural logarithms of the 2D/1D aggravation factors is ~0.15 for periods shorter than the fundamental period of the site, and decays thereafter at a steady rate.

58 GEOSCIENCES↗
DOE OSTI2021

Origin of the background absorption in carbon nanotubes: Phonon-assisted excitonic continuum

Excitonic effects in 1D semiconductors can be qualitatively different from those in higher dimensions. In particular, the Sommerfeld factor, the ratio of the above-band-edge excitonic continuum absorption to free electron-hole pair generation, has been shown to be less than 1 (suppressed) in 1D systems while it is larger than 1 (enhanced) in 2D and 3D systems. Strong continuum suppression indeed exists in semiconducting single-wall carbon nanotubes, a prototypical 1D semiconductor. However, absorption spectra for carbon nanotubes are typically fit with a combination of Lorentzians and a polynomial background baseline with little physical meaning. We performed absorption measurements in aligned single-chirality (6,5) carbon nanotube films. The obtained spectra were fit with our theoretical model obtained by solving the Boltzmann scattering equation involving fifty-nine different types of transitions among three different types of quasiparticles. Specifically, we took into account microscopic interactions between photons, phonons, and excitons, including their dispersions, which unambiguously demonstrated that the background absorption is due to phonon-assisted transitions from the semiconductor vacuum to finite-momentum continuum states of excitons. The excellent agreement we obtained between experiment and theory suggests that our numerical technique can be seamlessly extended to compute strongly out-of-equilibrium many-body dynamics and time-resolved spectra in low-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Excitations in the Yang–Gaudin Bose gas

Here, we study the excitation spectrum of two-component delta-function interacting bosons confined to a single spatial dimension, the Yang–Gaudin Bose gas. We show that there are pronounced finite-size effects in the dispersion relations of excitations, perhaps best illustrated by the spinon single particle dispersion which exhibits a gap at 2k F and a finite-momentum roton-like minimum. Such features occur at energies far above the finite volume excitation gap, vanish slowly as 1/L for fixed spinon number, and can persist to the thermodynamic limit at fixed spinon density. Features such as the 2k F gap also persist to multi-particle excitation continua. Our results show that excitations in the finite system can behave in a qualitatively different manner to analogous excitations in the thermodynamic limit. The Yang–Gaudin Bose gas is also host to multi-spinon bound states, known as $\Lambda$ -strings. We study these excitations both in the thermodynamic limit under the string hypothesis and in finite size systems where string deviations are taken into account. In the zero-temperature limit we present a simple relation between the length n $\Lambda$-string dressed energies $\epsilon_n(\lambda)$ and the dressed energy $\epsilon(k)$. We solve the Yang–Yang–Takahashi equations numerically and compare to the analytical solution obtained under the strong couple expansion, revealing that the length n $\Lambda$ -string dressed energy is Lorentzian over a wide range of real string centers λ in the vicinity of $\lambda = 0$ . We then examine the finite size effects present in the dispersion of the two-spinon bound states by numerically solving the Bethe ansatz equations with string deviations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1961

Objectives of the Mariner Venus Microwave Radiometer Experiment

At present, there are several models involving the surface, atmosphere (and ionosphere), and cloud conditions of the planet Venus which attempt to account for the observed high brightness temperature of 600 degrees Kelvin in the microwave temperature region. None of these models can be definitely accepted or rejected on the basis of presently available data, and it is the goal of the microwave radiometer experiment planned for the Mariner Venus mission to determine which of the proposed models most nearly approximates Venusian conditions. The disc of the planet will be scanned at 4 wavelengths - 4, 8, 13.5 and 19 millimeters - to measure the temperature distribution across the planet. Measurement accuracy is expected to be to within 2 percent. In addition to the study of gross thermal characteristics of surface and atmosphere (or ionosphere), some information regarding the fine-scale thermal variations will be obtained. Since Venus appears to be continuously covered by clouds, it is obvious that only in the microwave region can one be sure of penetrating clear to the solid surface. Because of the absorbing characteristics of the Earth's atmosphere, and because of the relatively poor resolution obtainable in this region of the spectrum, one is forced to utilize the platform afforded by a planetary flyby or orbiter in order to conduct a reliable high resolution study of the planet. To do so from Earth (neglecting terrestrial atmospheric attenuation ) would require colossal radio telescopes.

RADIO ASTRONOMY↗
NASA NTRS2017

DNA Repair Domain Modeling Can Predict Cell Death and Mutation Frequency for Wide Range Spectrum of Radiation

Exploration missions to Mars and other destinations raise many questions about the health of astronauts. The continuous exposure of astronauts to galactic cosmic rays is one of the main concerns for long-term missions. Cosmic ionizing radiations are composed of different ions of various charges and energies notably, highly charged energy (HZE) particles. The HZE particles have been shown to be more carcinogenic than low-LET radiation, suggesting the severity of chromosomal aberrations induced by HZE particles is one possible explanation. However, most mathematical models predicting cell death and mutation frequency are based on directly fitting various HZE dose response and are in essence empirical approaches. In this work, we assume a simple biological mechanism to model DNA repair and use it to simultaneously explain the low- and high-LET response using the exact same fitting parameters. Our work shows that the geometrical position of DNA repair along tracks of heavy ions are sufficient to explain why high-LET particles can induce more death and mutations. Our model is based on assuming DNA double strand breaks (DSBs) are repaired within repair domain, and that any DSBs located within the same repair domain cluster into one repair unit, facilitating chromosomal rearrangements and increasing the probability of cell death. We introduced this model in 2014 using simplified microdosimetry profiles to predict cell death. In this work, we collaborated with NASA Johnson Space Center to generate more accurate microdosimetry profiles derived by Monte Carlo techniques, taking into account track structure of HZE particles and simulating DSBs in realistic cell geometry. We simulated 224 data points (D, A, Z, E) with the BDSTRACKS model, leading to a large coverage of LET from ~10 to 2,400 keV/μm. This model was used to generate theoretical RBE for various particles and energies for both cell death and mutation frequencies. The RBE LET dependence is in agreement with experimental data known in human and murine cells. It suggests that cell shape and its orientation with respect to the HZE particle beam can modify the biological response to radiation. Such discovery will be tested experimentally and, if proven accurate, will be another strong supporting evidence for DNA repair domains and their critical role in interpreting cosmic radiation sensitivity.

Viger, Louise↗
DOE OSTI2016

Observation of a metric type N solar radio burst

Type III and type-III-like radio bursts are produced by energetic electron beams guided along coronal magnetic fields. As a variant of type III bursts, Type N bursts appear as the letter "N" in the radio dynamic spectrum and reveal a magnetic mirror effect in coronal loops. Here, we report a well-observed N-shaped burst consisting of three successive branches at metric wavelength with both fundamental and harmonic components and a high brightness temperature (>10 9 K). We verify the burst as a true type N burst generated by the same electron beam from three aspects of the data. First, durations of the three branches at a given frequency increase gradually and may be due to the dispersion of the beam along its path. Second, the flare site, as the only possible source of non-thermal electrons, is near the western feet of large-scale closed loops. Third, the first branch and the following two branches are localized at different legs of the loops with opposite senses of polarization. We also find that the sense of polarization of the radio burst is in contradiction to the O-mode and there exists a fairly large time delay (~3–5 s) between the fundamental and harmonic components. Possible explanations accounting for these observations are presented. Finally, assuming the classical plasma emission mechanism, we can infer coronal parameters such as electron density and magnetic field near the radio source and make diagnostics on the magnetic mirror process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Suppressing the impact of a high tensor-to-scalar ratio on the temperature anisotropies

The BICEP2 collaboration has reported a strong B mode signal in the CMB polarization, which is well fit by a tensor-to-scalar ratio of r ≅ 0.2. This is greater than the upper limit r < 0.11 obtained from the temperature anisotropies under the assumption of a constant scalar spectral index n{sub s}. This discrepancy can be reduced once the statistical error and the contamination from polarized dust are accounted for. If however a large value for r will be confirmed, it will need to be reconciled with the temperature anisotropies data. The most advocated explanation involves a variation of n{sub s} with scales (denoted as running) that has a magnitude significantly greater than the generic slow roll predictions. We instead study the possibility that the large scale temperature anisotropies are not enhanced because of a suppression of the scalar power at large scales. Such a situation can be achieved for instance by a sudden change of the speed of the inflaton (by about 14%), and we show that it fits the temperature anisotropies and polarization data considerably better than a constant running (its χ{sup 2} improves by ∼ 7.5 over that of the constant running, at the cost of one more parameter). We also consider the possibility that the large scale temperature fluctuations are suppressed by an anti-correlation between tensor and scalar modes. Unfortunately, while such effect does affect the temperature fluctuations at large scales, it does not affect the temperature power spectrum and cannot, therefore, help in reconciling a large value of r with the limits from temperature fluctuations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Resonant inelastic x-ray scattering in the topological semimetal FeSi

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the electronic structure of the three-dimensional bulk. In this paper, we present a joint theory-experiment study of the electronic structure of a candidate topological semimetal with resonant inelastic x-ray scattering (RIXS). We resolve the bulk electronic states of FeSi using momentum-dependent RIXS at the Fe L 3 edge. We observe a broad excitation continuum devoid of sharp features, consistent with particle-hole scattering in an underlying electronic band structure. Using density functional theory (DFT), we calculate the electronic structure of FeSi and derive a band theory formulation of RIXS in the fast collision approximation to model the scattering process with zero adjustable parameters. While band theory predicts an excitation continuum with broad spectral features similar to the observed ones, discrepancies between theory and experiment suggest the presence of low-energy processes that DFT alone does not account for. Further, this study of RIXS in a topological semimetal shows that RIXS is a useful tool for revealing unanticipated behavior of bulk electronic states in this class of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

X ray emission from Wolf-Rayet stars with recurrent dust formation

We were granted a ROSAT observation of the Wolf-Rayet star WR 137 (equals HD 192641) to test a proposed mechanism for producing the infrared variability reported by Williams et al. (1987). These studies showed one clear infrared outburst preceded by what may be the dimming of a previous outburst. The recurrent dust formation model was put forward by Williams et al. (1990) to account for similar variability seen in WR 140, which varies in both the infrared and X-ray bands. The detected X-ray flux from WR 140 was observed to decrease from its normally high (for Wolf-Rayet stars) level as the infrared flux increased. Observation of two apparently-periodic infrared outbursts led to the hypothesis that WR 140 had an O star companion in an eccentric orbit, and that the increase in infrared flux came from a dust formation episode triggered by the compression of the O star and Wolf-Rayet star winds. The absorption of the X-rays by the increased material explained the decrease in flux at those wavelengths. If the infrared variability in WR 137 were caused by a similar interaction of the Wolf-Rayet star with a companion, we might expect that WR 137 would show corresponding X-ray variability and an X-ray luminosity somewhat higher than typical WC stars, as well as a phase-dependent non-thermal X-ray spectrum. Our goals in this study were to obtain luminosity estimates from our counting rates for comparison with previous observations of WR 137 and other WC class stars, especially WR 140; to compare the luminosity with the IR lightcurve; and to characterize the spectral shape of the X-ray emission, including the column density.

Rawley, Gayle L.↗
NASA NTRS2005

Variations in the Peak Position of the 6.2 micron Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

This paper presents the results of an investigation of the molecular characteristics that underlie the observed peak position and profile of the nominal 6.2 micron interstellar emission band generally attributed to the CC stretching vibrations of polycyclic aromatic hydrocarbons (PAHs). It begins with a summary of recent experimental and theoretical studies ofthe spectroscopic properties of large (>30 carbon atoms) PAH cations as they relate to this aspect of the astrophysical problem. It then continues with an examination of the spectroscopic properties of a number of PAH variants within the context of the interstellar 6.2 micron emission, beginning with a class of compounds known as polycyclic aromatic nitrogen heterocycles (PANHs; PAHs with one or more nitrogen atoms substituted into their carbon skeleton). In this regard, we summarize the results of recent relevant experimental studies involving a limited set of small PANHs and their cations and then report the results of a comprehensive computational study that extends that work to larger PANH cations including many nitrogen-substituted variants of coronene(+) (C24H12(+)), ovalene(+) (C32H14(+)), circumcoronene(+) (C54H18(+)), and circum-circumcoronene(+) (C96H24(+)). Finally, we report the results of more focused computational studies of selected representatives from a number of other classes of PAH variants that share one or more of the key attributes of the PANH species studied. These alternative classes of PAH variants include (1) oxygen- and silicon-substituted PAH cations; (2) PAH-metal ion complexes (metallocenes) involving the cosmically abundant elements magnesium and iron; and (3) large, asymmetric PAH cations. Overall, the studies reported here demonstrate that increasing PAH size alone is insuEcient to account for the position of the shortest wavelength interstellar 6.2 micron emission bands, as had been suggested by earlier studies. On the other hand, this work reveals that substitution of one or more nitrogen atoms within the interior of the carbon skeleton of a PAH cation induces a significant blueshift in the position of the dominant CC stretching feature of these compounds that is suf6cient to account for the position of the interstellar bands. Subsequent studies of the effects of substitution by other heteroatoms (O and Si), metal ion complexation (Fe(+), Mg(+), and Mg(2+)), and molecular symmetry variation-all of which fail to reproduce the blueshift observed in the PANH cations-indicate that N appears to be unique in its ability to accommodate the position of the interstellar 6.2 micron bands while simultaneously satisfying the other constraints of the astrophysical problem. This result implies that the peak position of the interstellar feature near 6.2 micron traces the degree of nitrogen substitution in the population, that most of the PAHs responsible for the interstellar IR emission features incorporate nitrogen within their aromatic networks, and that a lower limit of 1%-2% of the cosmic nitrogen is sequestered within the interstellar PAH population. Finally, in view of the ubiquity and abundance of interstellar PAHs and the permanent dipoles and distinctive electronic structures of these nitrogen-substituted variants, this work impacts a wide range of observational phenomena outside of the infrared region of the spectrum including the forest of unidentified molecular rotational features and the anomalous Galactic foreground emission in the microwave, and the diffuse interstellar bands (DIBs) and other structure in the interstellar extinction curve in the ulhviolet/visible. These astrophysical ramifications are discussed, and the dipole moments and rotational constants are tabulated to facilitate further investigations of the astrophysical role of nitrogen-substituted aromatic compounds.

Hudgins, Douglas M.↗
DOE OSTI2016

Tomography of atomic number and density of materials using dual-energy imaging and the Alvarez and Macovski attenuation model

Dual-energy computed tomography and the Alvarez and Macovski [Phys. Med. Biol. 21, 733 (1976)] transmitted intensity (AMTI) model were used in this study to estimate the maps of density (ρ) and atomic number (Z) of mineralogical samples. In this method, the attenuation coefficients are represented [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)] in the form of the two most important interactions of X-rays with atoms that is, photoelectric absorption (PE) and Compton scattering (CS). This enables material discrimination as PE and CS are, respectively, dependent on the atomic number (Z) and density (ρ) of materials [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)]. Dual-energy imaging is able to identify sample materials even if the materials have similar attenuation coefficients at single-energy spectrum. We use the full model rather than applying one of several applied simplified forms [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976); Siddiqui et al., SPE Annual Technical Conference and Exhibition (Society of Petroleum Engineers, 2004); Derzhi, U.S. patent application 13/527,660 (2012); Heismann et al., J. Appl. Phys. 94, 2073–2079 (2003); Park and Kim, J. Korean Phys. Soc. 59, 2709 (2011); Abudurexiti et al., Radiol. Phys. Technol. 3, 127–135 (2010); and Kaewkhao et al., J. Quant. Spectrosc. Radiat. Transfer 109, 1260–1265 (2008)]. This paper describes the tomographic reconstruction of ρ and Z maps of mineralogical samples using the AMTI model. The full model requires precise knowledge of the X-ray energy spectra and calibration of PE and CS constants and exponents of atomic number and energy that were estimated based on fits to simulations and calibration measurements. The estimated ρ and Z images of the samples used in this paper yield average relative errors of 2.62% and 1.19% and maximum relative errors of 2.64% and 7.85%, respectively. Furthermore, we demonstrate that the method accounts for the beam hardening effect in density (ρ) and atomic number (Z) reconstructions to a significant extent.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗