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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra towards the X-ray low-mass binary XTE J1817-330. The 11-25 A broadband is described with a simple absorption model that takes into account the pileup effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 A) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain: a column density of N(sub H) = 1.38 +/- 0.01 x 10(exp 21) cm(exp -2); ionization parameter of log xi = .2.70 +/- 0.023; oxygen abundance of A(sub O) = 0.689(exp +0.015./-0.010); and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval (1998), a rescaling with the revision by Asplund et al. (2009) yields A(sub O) = 0.952(exp +0.020/-0.013, a value close to solar that reinforces the new standard. We identify several atomic absorption lines.K-alpha , K-beta, and K-gamma in O I and O II; and K-alpha in O III, O VI, and O VII--last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated to ISM cold absorption.

Gatuzz, E.↗
NASA NTRS2012

X-ray Proper Motions and Shock Speeds along the Northwest Rim of SN1006

We report the results of an X-ray proper motion measurement for the NW rim of SN 1006, carried out by comparing Chandra observations from 2001 and 2012. The NW limb has predominantly thermal X-ray emission, and it is the only location in SN 1006 with signi cant optical emission: a thin, Balmer-dominated lament. For most of the NW rim, the proper motion is approximately equal to 0.30"yr(exp -1), essentially the same as has been measured from the H alpha lament. Isolated regions of the NW limb are dominated by nonthermal emission, and here the proper motion is much higher, 0:49"yr(exp -1), close to the value measured in X-rays along the much brighter NE limb, where the X-rays are overwhelmingly nonthermal. At the 2.2 kpc distance to SN 1006, the proper motions imply shock velocities of approximately 3000 kms(exp -1) and approximately 5000 kms(exp -1) in the thermal and nonthermal regions, respectively. A lower velocity behind the H alpha filament is consistent with the picture that SN 1006 is encountering denser gas in the NW, as is also suggested by its overall morphology. In the thermally-dominated portion of the X-ray shell, we also see an o set in the radial profiles at different energies; the 0.5-0.6 keV peak dominated by O VII is closer to the shock front than that of the 0.8-3 keV emission|due to the longer times for heavier elements to reach ionization states where they produce strong X-ray emission.

Katsuda, Satoru↗
NASA NTRS2019

Plasma environment effects on K lines of astrophysical interest I. Atomic structure, radiative rates, and Auger widths of oxygen ions

Aims. In the context of black-hole accretion disks, the main goal of the present study is to estimate the plasma environment effects on the atomic structure and radiative parameters associated with the K-vacancy states in ions of the oxygen isonuclear sequence. Methods. We used a time-averaged Debye–Hückel potential for both the electron–nucleus and the electron–electron interactions implemented in the fully relativistic multiconfiguration Dirac–Fock (MCDF) method. Results. Modified ionization potentials, K thresholds, Auger widths, and radiative transition wavelengths and rates are reported for O I–O VII in plasma environments with electron temperature and density ranges 10(exp 5)−10(exp 7) K and 10(exp 18)−10(exp 22)/cu.cm.

J. Deprince↗
NASA NTRSDate not supplied

Separating Magnetospheric and Heliospheric SWCX in X-ray Spectra

Solar wind charge exchange (SWCX) emission contaminates all astrophysical observations in X-rays regardless of the direction. This contamination is particularly problematic when measuring astrophysical plasma temperatures due to the similar spectral distribution of the two phenomena. Since its discovery, literature has distinguished between SWCX emission resulting from solar wind-neutral interactions within the Earth’s magnetosphere, called magnetospheric SWCX, and similar interactions occurring more generally throughout the heliosphere, called heliospheric SWCX. Previous work demonstrated accurate modeling of the heliospheric SWCX contribution for astrophysical observations performed at low ecliptic latitude with HaloSat, a CubeSat X-ray mission of medium spectral resolution. Here, we apply this model to similarly orchestrated observations to measure the magnetospheric SWCX contribution separately from the heliospheric SWCX and the astrophysical background contributions. We describe our observational strategy, the heliospheric SWCX model used, and our spectral fitting methods. In particular, we report on four observations with lines of sight through the Earth’s magnetospheric flank with total O VII line fluxes at least 3σ above that predicted by the heliospheric SWCX model and the astrophysical background, possibly indicative of magnetospheric SWCX. We then discuss the excess emission in comparison with available magnetospheric SWCX simulations requested through the Community Coordinated Modeling Center.

X-ray↗
DOE OSTI2020

Functionalized Magnetic Nanoparticles for Technetium Sequestration from Groundwater

Technetium 99 (Tc) is among the most common environmental contaminants at DOE sites and one of the most common risk drivers in low- and high-level waste disposal sites. The majority of Tc is generated from anthropogenic sources, such as nuclear power plants, global weapons, nuclear storage facilities and medical applications. Through these sources, Tc contamination has been unintentionally introduced in to the environment. The most common chemical form of Tc is Tc(VII)O{sub 4}{sup -}. Due to its high solubility and mobility, Tc can enter the food chain and cause adverse health effects to humans. Currently, ion exchange resins and reduction processes are the most common approaches for Tc immobilization. Although these techniques have shown to be effective, they also possess major drawbacks, such as high cost, low adsorption capacity, and complex creation and maintenance. Therefore, development of more efficient and simple technologies for the remediation of Tc-contaminated systems are needed. Functionalized magnetic nanoparticles have been used to remove organic and inorganic contaminants from water resources. These nanoparticles have attracted extensive attention as an adsorbent material due to their large surface area, high efficiency, low-cost, easy functionalization and separation with a magnet. This study seek to develop functionalized magnetic iron oxide nanoparticles for the efficient removal of Tc and other heavy metal contaminants from water resources under ambient conditions. Objectives: Synthesize magnetic iron oxide nanoparticles and functionalize their surface with Cetyltrimethylammonium Bromide (CTAB) and tetraethyl-orthosilicate (TEOS). Characterize the synthesized nanoparticles using scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDS), Dynamic Light Scattering (DLS) and Zeta PALS. Perform adsorption studies to evaluate their adsorption behavior and capacity for (a) Technetium using Rhenium (ReO{sub 4}{sup -}) as a surrogate and (b) heavy metals, e.g. Cu{sup 2+}. Conclusions: Magnetic iron oxide nanoparticles were successfully functionalized with CTAB and TEOS. The functionalization of the iron oxide nanoparticles affects their surface charge and their hydrodynamic diameter. The addition of CTAB or TEOS decreased the hydrodynamic diameter of the nanoparticles due to repulsive and steric forces. The SEM micrographs show spherical nanoparticles of different sizes. The EDX analysis shows the presence of iron and oxygen from the iron oxide crystalline structure, and the different constituents of the CTAB and TEOS molecules. Proof-of-concept shows the successful adsorption of rhenium (ReO{sub 4}{sup -}) and copper Cu{sup 2+}) onto CTAB-Fe{sub 2}O{sub 3} and TEOS-Fe{sub 2}O{sub 3} respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2013

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp −2); an ionization parameter of log xi = −2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/−0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/−0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

oxygen↗
NASA NTRS1987

A comparison of the C III, O V, F VI, and Ne VII Delta n = 0 (2-2) line emissions from a laboratory plasma with theoretical predictions and astrophysical observations

Spectra of the Delta n = 0 (2-2) transitions of Be I-like ions, C III, O V, F VI, and Ne VII emitted from the TEXT tokamak, were measured with photometrically calibrated instrumentation and compared to the predictions of several models which differ in their treatment of electron impact excitation, using either the distorted wave or R-matrix approach. It was found that the ions from C III to Ne VII were located near the edge of the plasma, at densities between 10 to the 12th and 13th/cu cm. The experimental line ratios were compared with several sets of computations. Agreement is obtained between the experimental data and computations by using the R-matrix technique. This leads to the conclusion that the effect resonances must be included in collision strength calculations, particularly at low nuclear charge. The results show that the line ratios studied may be used with confidence as electron density diagnostics for laboratory or astrophysical plasmas.

Finkenthal, M.↗
NASA NTRS1996

Results of Detailed Modeling of the Narrow-Line Region of Seyfert Galaxies

We present model line profiles of [O II] lambda3727, [Ne III] lambda3869, [O I] lambda5007, [Fe VII] lambda6087, [Fe X] lambda6374, [O I] lambda6300, H(alpha) lambda6563, and [S 2] lambda6731. The profiles presented here illustrate explicitly the pronounced effects that collisional de-excitation, and that spatial variations in both the ionization parameter and cloud column density, have on Narrow-Line Region (NLR) model profiles. The above effects were included only qualitatively in a previous analytical treatment by Moore and Cohen. By making a direct correspondence between these model profiles and the analytical model profiles of Moore and Cohen, and by comparing with the observed profiles presented in a companion paper and also with those presented elsewhere in the literature, we strengthen some of the conclusions of Moore and Cohen. Most notably, we argue for constant ionization parameter, uniformly accelerated outflow of clouds that are individually stratified in ionization, and the interpretation of emission-line width correlations with ionization potential as a column density effect. For comparison with previous observational studies, such as our own in a companion paper, we also calculate profile parameters for some of the models, and we present and discuss the resulting line width correlations with critical density (n(sub cr)) and Ionization Potential (IP). Because the models we favor are those that produce extended profile wings as observed in high spectral resolution studies, the line width correlations of our favoured models are of particular interest. Line width correlations with n(sub cr) and/or IP result only if the width parameter is more sensitive to extended profile wings than is the Full Width at Half-Maximum (FWHM). Correlations between FWHM and n(sub cr) and/or IP result only after convolving the model profiles with a broad instrumental profile that simulates the lower spectral resolution used in early observational studies. The model in agreement with the greatest number of observational considerations has electron density decreasing outward from n(sub e) approx. equals 10(exp 6)/cu cm to n(sub e) approx. equals 10(exp 2)/cu cm and, due to collisional de-excitation effects in the lowest velocity clouds, it generates broad flat-topped profile peaks in the lines of lowest critical density (e.g., [O II] lambda3727 and [S II] lambda(lambda)6716, 6731). Because the observed profile peaks of both low and high critical density lines are often very similar, our favored model requires a contribution to NLR emission-line spectra from low-velocity, low-density, and low-ionization gas not included in the model NLR.

Moore, David↗
DOE OSTI2020

Structural and photoelectrochemical properties in the thin film system Cu–Fe–V–O and its ternary subsystems Fe–V–O and Cu–V–O

Thin-film material libraries in the ternary and quaternary metal oxide systems Fe–V–O, Cu–V–O, and Cu–Fe–V–O were synthesized using combinatorial reactive co-sputtering with subsequent annealing in air. Their compositional, structural, and functional properties were assessed using high-throughput characterization methods. Prior to the investigation of the quaternary system Cu–Fe–V–O, the compositions (Fe 61 V 39 )O x and (Cu 52 V 48 )O x with promising photoactivity were identified from their ternary subsystems Fe–V–O and Cu–V–O, respectively. Two Cu–Fe–V–O material libraries with (Cu 29-72 Fe 4-27 V 22-57 )O x and (Cu 11-55 Fe 27-73 V 12-34 )O x composition spread were investigated. Seven mixed ternary and quaternary phase regions were identified: I (α-Cu 3 FeV 6 O 26 /FeVO 4 ), II (Cu 5 V 2 O 10 /FeVO 4 /α-Cu 3 Fe 4 V 6 O 26 ), III (Cu 5 V 2 O 10 ), IV (Cu 5 V 2 O 10 /FeVO 4 , V (FeVO 4 /γ-Cu 2 V 2 O 7 /α-Cu 3 Fe 4 V 6 O 26 ), VI (β-Cu 2 V 2 O 7 /α-Cu 3 Fe 4 V 6 O 26 /FeVO 4 ), and VII (β-Cu 3 Fe 4 V 6 O 26 /FeVO 4 ). Furthermore, in the investigated composition range, two photoactive regions, (Cu 53 Fe 7 V 40 )O x and (Cu 45 Fe 21 V 34 )O x , were identified, exhibiting 103 μ A/cm 2 and 108 μ A/cm 2 photocurrent density for the oxygen evolution reaction at 1.63 V vs reversible hydrogen electrode, respectively. The highest photoactive region (Cu 45 Fe 21 V 34 )O x comprises the dominant α-Cu 3 Fe 4 V 6 O 24 phase and minor FeVO 4 phase. This photoactive region corresponds to having an indirect bandgap of 1.87 eV and a direct bandgap of 2.58 eV with an incident photon-to-current efficiency of 30% at a wavelength of 310 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamic compression effects of H 2 ⁡O in a dynamic diamond anvil cell: Origin of metastable ice VII and its crystal growth kinetics

We report on the structural verification of metastable ice VII solidifying in the phase space of ice VI at 1.80 GPa at room temperature. Using time-resolved (TR) x-ray diffraction and TR ruby luminescence paired with high-speed microphotography utilizing a dynamic diamond anvil cell, an initial compression rate range from 0.12 to 95.84 GPa/s was explored. The solidification pressure of metastable ice VII has a potential sigmoidal dependence upon compression rate with a turnover compression rate of ∼80 GPa/s. The preferred crystallization of ice VII in the stability field of ice VI is due to the increased nucleation rate of ice VII over ice VI at 1.77 GPa that is driven by the surface energy difference between the liquid and solid phases along with the change in Gibbs free energy of solidification. The dynamic pressure-volume–compression behaviors of ice phases (VI and VII) show a lattice stiffening in both phases, especially during the compression loading. It is also found that the compression rate greatly affects the solid-solid phase transition between ice VI and VII but does not affect the liquid-solid transition between water and ice VI as much. Lastly, a third phase transition was found to occur after metastable ice VII transforms into high-density amorphous (HDA) ice, which could be a disordered hydrogen-bonded network configuration of ice VII forming out of HDA ice facilitated by the decoupling of the oxygen movement and reorientation of the H 2⁡ O molecule. These results demonstrate the complexity of a seemingly simple molecule H 2⁡ O, how it can readily change its static properties with the modification of (de)compression rate, and highlight the need to use multiple TR structural and spectroscopic probes at higher time resolutions to realize the most comprehensive understanding.

Chemical bonding↗
DOE OSTI2021

Coupled deep-mantle carbon-water cycle: Evidence from lower-mantle diamonds

Diamonds form in a variety of environments between subducted crust, lithospheric and deep mantle. Recently, deep source diamonds with inclusions of the high-pressure H 2 O-phase ice-VII were discovered. By correlating the pressures of ice-VII inclusions with those of other high-pressure inclusions, we assess quantitatively the pressures and temperatures of their entrapment. We show that the ice-VII-bearing diamonds formed at depths down to 800 ± 60 km but at temperatures 200–500 K below average mantle temperature that match the pressure-temperature conditions of decomposing dense hydrous mantle silicates. Furthermore, our work presents strong evidence for coupled recycling of water and carbon in the deep mantle based on natural samples.

58 GEOSCIENCES↗
DOE OSTI2023

Sound Velocity and Equation of State of Ballistic Gelatin by Brillouin Scattering

Brillouin scattering spectroscopy with diamond anvil cells was used by measuring the pressure dependence of the sound-relevant polymer material, glass-forming liquid, and H 2 O (water and ice VII) velocities of the material from ambient pressure to 12 GPa at room temperature. Measurements of 20%, 10%, and 4% gelatin solutions were performed. For comparison purposes, we also measured the pressure dependence of the sound velocity of animal tissue up to 10 GPa. We analyzed the Brillouin data using the Tait and Vinet equations of state. We discussed the possible influence of frequency dispersion on bulk modulus at low pressure. We compared the elastic moduli obtained for gelatin to those of several other polymers.

36 MATERIALS SCIENCE↗
NASA NTRS1974

The fine structure of the solar atmosphere in the far ultraviolet

The paper describes qualitatively the spatial distribution of UV emission obtained from high resolution spectroheliograms in the UV emission lines He I, He II, O IV, O V, and Ne VII photographed during a sounding rocket flight. Broad band filtergrams of the far UV solar corona were also obtained. The results confirmed that spicules are the location of UV emission. Most of the UV emission in the temperature range from 100,000 to 200,000 K is concentrated in and around the spicules and this concentration decreases with increasing temperatures. Four different areas of UV emission are discussed. The He I and He II spectroheliogram observations showed He to be suppressed in the coronal holes, polar caps, and sunspots.

Brueckner, G. E.↗
NASA NTRS1990

A survey of the profiles of narrow emission lines in Seyfert galaxies

An atlas of the nuclear spectra of 58 Seyfert galaxies and six galaxies with nuclear H II regions is presented. For all but three galaxies, the range of rest wavelengths covered is about 6000-6800 A, with spectral resolution at H-alpha either 45 km/s or 130 km/s. Widths are given for the emission lines forbidden Fe VII 6086 A, forbidden O I 6300 A, H-alpha, forbidden N II 6584, and forbidden S II 6717,6731 A. In all, widths for some 210 lines in 53 galaxies are listed. A comparison is made between the present and previous line width measurements.

Wilson, A. S.↗
NASA NTRS1993

Observational evidence for hotter transition region loops within the supergranular network

We correlate EUV spectroheliograms of the quiet sun taken by the Harvard EUV Spectroheliometer on Skylab with a magnetogram taken within 15-20 minutes by the 40 channel magnetograph at Kitt Peak. Focus is on the O VI and Ne VII ions which are formed in the hotter transition region and the Mg x ion which is formed in the corona. Since no imaged observations in lines from T = 2 x 10 exp 5 - 10 exp 6 K temperature region have been made since Skylab, these data are unique in providing opportunities to investigate the hotter transition region and its relationship to the corona. The signature of an EUV intranetwork loop is a small EUV brightening located on the neutral line of a small magnetic bipole within the supergranular network. The data clearly show such features. Some of these features are visible at coronal temperatures, indicating that network loops can reach 10 exp 6 K. Others are bright in the lines formed below 10 exp 6 K but occur in regions of depleted coronal emission, which cannot be explained by models based on back-heating from a large-scale corona. We conclude that some fraction of the quiet solar EUV output is generated within network loops that are effectively insulated from the corona.

Dowdy, James F., Jr.↗
NASA NTRS2016

Quasi-Periodic Fluctuations and Chromospheric Evaporation in a Solar Flare Ribbon Observed by Hinode/EIS, IRIS, and RHESSI

The Hinode/Extreme-ultraviolet Imaging Spectrometer (EIS) obtained rapid cadence (11.2 s) EUV stare spectra of an M7.3 flare ribbon in AR 12036 on 2014 April 18. Quasi-periodic (P approx. = 75.6 +/- 9.2 s) intensity fluctuations occurred in emission lines of O IV, Mg VI, Mg VII, Si VII, Fe XIV, and Fe XVI during the flare's impulsive rise, and ended when the maximum intensity in Fe XXIII was reached. The profiles of the O IV- Fe XVI lines reveal that they were all redshifted during most of the interval of quasi-periodic intensity fluctuations, while the Fe XXIII profile revealed multiple components including one or two highly blueshifted ones. This indicates that the flare underwent explosive chromospheric evaporation during its impulsive rise. Fluctuations in the relative Doppler velocities were seen, but their amplitudes were too subtle to extract significant quasi-periodicities. RHESSI detected 25-100 keV hard-X-ray sources in the ribbon near the EIS slit's pointing position during the peaks in the EIS intensity fluctuations. The observations are consistent with a series of energy injections into the chromosphere by nonthermal particle beams. Electron densities derived with Fe XIV (4.6 x 10(exp 10) per cu cm) and Mg VII (7.8 x 10(exp 9) per cu cm) average line intensity ratios during the interval of quasi-periodic intensity fluctuations, combined with the radiative loss function of an optically thin plasma, yield radiative cooling times of 32 s at 2.0 x 10(exp 6) K, and 46 s at 6.3 x 10(exp 5) K (about half the quasi-period); assuming Fe XIV's density for Fe XXIII yields a radiative cooling time of 10(exp 3) s (13 times the quasi-period) at 1.4 x 10(exp 7) K.

Brosius, Jeffrey W.↗
DOE OSTI2023

Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) for studying materials and processes under extreme conditions

Externally heated diamond anvil cells provide a stable and uniform thermal environment, making them a versatile device to simultaneously generate high-pressure and high-temperature conditions in various fields of research, such as condensed matter physics, materials science, chemistry, and geosciences. The present study features the Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) system, a versatile configuration consisting of a diamond anvil cell with a customized microheater for stable resistive heating, bidirectional pressure control facilitated by compression and decompression membranes, and a water-cooled enclosure suitable for vacuum and controlled atmospheres. This integrated system excels with its precise control of both pressure and temperature for mineral and materials science research under extreme conditions. Here, we showcase the capabilities of the system through its successful application in the investigation of the melting temperature and thermal equation of state of high-pressure ice-VII at temperatures up to 1400 K. The system was also used to measure the elastic properties of solid ice-VII and liquid H 2 O using Brillouin scattering and Raman spectra of carbonates using Raman spectroscopy, highlighting the potential of the EH-DANCE system in high-pressure research.

Instruments & Instrumentation↗
NASA NTRS1972

The electron-impact promoted fragmentation of aurone epoxides.

The mass spectra of six aurone epoxides have been rationalized with the aid of high resolution mass spectrometry and metastable ion evidence. These compounds fragment in a well defined manner and mechanisms are proposed for the formation of their characteristic ions. Some similarity was observed between the mass spectra of 6-methoxyaurone epoxide (II), 4-hydroxy-7-methoxy-3-phenylcoumarin (VII) and 7-methoxyflavonol (IX). The possibility that VII and IX are intermediates in the fragmentation of epoxide II is discussed. Thermal rearrangement of aurone epoxide II was shown to yield the corresponding flavonol IX and coumarin VII.

Brady, B. A.↗