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At least 145 records · Page 8

Thermoelectric Behavior of Structurally Disordered Lanthanide and Actinide Silicides

Lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties arising from their partially filled f orbitals. Strong f-electron correlations can significantly modify the electronic density of states, carrier scattering, and transport behavior, making these systems promising candidates for unconventional thermoelectric materials. In previous studies, single crystals of A1.33T4Al8Si2 (A = Ce, Th, U, Np; T = Co, Ni) were synthesized. This structure consists of ordered TAl2 corrugated double layers separated by disordered An–Si monolayers. The inherent disorder within the An–Si layers has been linked to unusual magnetic behavior, such as spin-glass phenomena, and is expected to strongly influence phonon scattering and charge-carrier transport relevant to thermoelectric performance. However, the thermoelectric properties of this material family have not previously been explored. In this work, DFT calculations were performed to evaluate the electronic density of states, band structures, and thermoelectric properties, including the effects of doping. To validate these predictions, Ce1.33Co4Al8Si2 single crystals were grown and experimentally characterized. Additionally, a new Yb1.33Co4Al8Si2 phase was synthesized and characterized using single-crystal XRD, SEM-EDS, magnetization measurements, and thermoelectric measurements. These results provide insight into structure–property relationships governing thermoelectric behavior in f-electron intermetallics and offer guidance for future thermoelectric materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Error metrics for partially coherent wave fields

Lensless imaging methods that account for partial coherence have become very common in the past decade. However, there are no metrics in use for comparing partially coherent light fields, despite the widespread use of such metrics to compare fully coherent objects and wave fields. Here, we show how reformulating the mean squared error and Fourier ring correlation in terms of quantum state fidelity naturally generalizes them to partially coherent wave fields. We report these results fill an important gap in the lensless imaging literature and will enable quantitative assessments of the reliability and resolution of reconstructed partially coherent wave fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effective thermal conductivity of fully and partially saturated metal wicks

The purpose of the study is threefold: (1) to perform accurate experiments covering a wide range of porosities to determine the effective thermal conductivity of sintered fiber porous metals fully saturated with air, water, and water vapor; (2) to propose correlations for these cases, and to compare these correlations with existing analytical predictions, experimental correlations and data; and (3) to determine the effective thermal conductivity of porous metals partially saturated with water and water vapor, respectively. The experimental apparatus, based on the steady-state method of comparison, is designed and used for determining the effective thermal conductivity. The wicks are made of nickel 200, stainless steel 430, and copper, covering a porosity range 0.30-0.67. Based on the experimental results, a single correlation is derived for predicting the effective thermal conductivity of all wicks fully saturated with air, water, and water vapor. For two partially saturated wick specimens with both high porosity and large matrix thermal conductivity, a liquid-vapor transition zone is observed between the phases, which increases the total combined effective thermal conductivity of the specimen.

Kar, K.↗

Wannier–Koopmans method calculations for transition metal oxide band gaps

The widely used density functional theory (DFT) has a major drawback of underestimating the band gaps of materials. Wannier–Koopmans method (WKM) was recently developed for band gap calculations with accuracy on a par with more complicated methods. WKM has been tested for main group covalent semiconductors, alkali halides, 2D materials, and organic crystals. Here we apply the WKM to another interesting type of material system: the transition metal (TM) oxides. TM oxides can be classified as either with d 0 or d 10 closed shell occupancy or partially occupied open shell configuration, and the latter is known to be strongly correlated Mott insulators. We found that, while WKM provides adequate band gaps for the d0 and d10 TM oxides, it fails to provide correct band gaps for the group with partially occupied d states. This issue is also found in other mean-field approaches like the GW calculations. We believe that the problem comes from a strong interaction between the occupied and unoccupied d-state Wannier functions in a partially occupied d-state system. We also found that, for pseudopotential calculations including deep core levels, it is necessary to remove the electron densities of these deep core levels in the Hartree and exchange–correlation energy functional when calculating the WKM correction parameters for the d-state Wannier functions.

36 MATERIALS SCIENCE↗

Optimal realizable filters and the minimum Euclidean distance principle

Minimizing a Euclidean distance in the complex plane optimizes a wide class of correlation metrics for filters implemented on realistic devices. The algorithm searches over no more than two real scalars (gain and phase). It unifies a variety of previous solutions for special cases (e.g., a maximum signal-to-noise ratio with colored noise and a real filter and a maximum correlation intensity with no noise and a coupled filter). It extends optimal partial information filter theory to arbitrary spatial light modulators (fully complex, coupled, discrete, finite contrast ratio, and so forth), additive input noise (white or colored), spatially nonuniform filter modulators, and additive correlation detection noise (including signal dependent noise).

Juday, Richard D.↗

Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions

Solution nanostructure induced by amphiphile self-association plays an important role in various chemical and physical processes, including liquid-liquid extraction (LLE). Small angle scattering techniques are an essential means of probing this structure, but, due to non-uniqueness of scattering patterns, their interpretation is not trivial. Here, in this study, we decompose small angle x-ray scattering (SAXS) patterns for a range of binary LLE organic phases into two components: Ornstein-Zernike and pre-peak contributions resulting from, respectively, critical concentration fluctuations and packing of the amphiphilic extractant molecules in the nonpolar aliphatic diluent. While we previously applied Ornstein-Zernike scattering models to similar organic phases, including the pre-peak explicitly in the fit allows us to measure weak fluctuations at high extractant concentration and simultaneously obtain information on the position and intensity of the correlation peak related to amphiphile packing. Scattering patterns and partial structure factors calculated from molecular dynamics simulations support this interpretation. We demonstrate how this minimal scattering model describes nanostructuring for a large number of extractant types over their entire extractant/diluent composition ranges, suggesting simple and universal behavior. The straightforward assignment of these structural contributions facilitates the comparison of these features between different classes of extractant molecules and will enable further studies of organic phase aggregation. Applicability to more complex, process-relevant organic phases is illustrated with post-contact organic phases containing significant quantities of extracted lanthanide nitrate salt, which we find are readily described by this model.

74 ATOMIC AND MOLECULAR PHYSICS↗

Ozone depletion in the Arctic and Antarctic stratosphere induced by wildfire smoke

Abstract. A record-breaking stratospheric ozone loss was observed over the Arctic and Antarctica in 2020. Strong ozone depletion occurred over Antarctica in 2021 as well. The ozone holes developed in smoke-polluted air. In this article, the impact of Siberian and Australian wildfire smoke (dominated by organic aerosol) on the extraordinarily strong ozone reduction is discussed. The study is based on aerosol lidar observations in the North Pole region (October 2019–May 2020) and over Punta Arenas in southern Chile at 53.2∘ S (January 2020–November 2021) as well as on respective NDACC (Network for the Detection of Atmospheric Composition Change) ozone profile observations in the Arctic (Ny-Ålesund) and Antarctica (Neumayer and South Pole stations) in 2020 and 2021. We present a conceptual approach on how the smoke may have influenced the formation of polar stratospheric clouds (PSCs), which are of key importance in the ozone-depleting processes. The main results are as follows: (a) the direct impact of wildfire smoke below the PSC height range (at 10–12 km) on ozone reduction seems to be similar to well-known volcanic sulfate aerosol effects. At heights of 10–12 km, smoke particle surface area (SA) concentrations of 5–7 µm2 cm−3 (Antarctica, spring 2021) and 6–10 µm2 cm−3 (Arctic, spring 2020) were correlated with an ozone reduction in terms of ozone partial pressure of 0.4–1.2 mPa (about 30 % further ozone reduction over Antarctica) and of 2–3.5 mPa (Arctic, 20 %–30 % reduction with respect to the long-term springtime mean). (b) Within the PSC height range, we found indications that smoke was able to slightly increase the PSC particle number and surface area concentration. In particular, a smoke-related additional ozone loss of 1–2 mPa (10 %–20 % contribution to the total ozone loss over Antarctica) was observed in the 14–23 km PSC height range in September–October 2020 and 2021. Smoke particle number concentrations ranged from 10 to 100 cm−3 and were about a factor of 10 (in 2020) and 5 (in 2021) above the stratospheric aerosol background level. Satellite observations indicated an additional mean column ozone loss (deviation from the long-term mean) of 26–30 Dobson units (9 %–10 %, September 2020, 2021) and 52–57 Dobson units (17 %–20 %, October 2020, 2021) in the smoke-polluted latitudinal Antarctic belt from 70–80∘ S.

54 ENVIRONMENTAL SCIENCES↗

Noble-gas-rich separates from the Allende meteorite

Predominantly carbonaceous HF/HCl-resistant residues from the Allende meteorite are studied. Samples are characterized by SEM/EDXA, X-ray diffraction, INAA, C, S, H, N, and noble gas analyses. Isotopic data for carbon show variations no greater than 5%, while isotopic data from noble gases confirm previously established systematics. Noble gas abundances correlate with those of C and N, and concomitant partial loss of C and normal trapped gas occur during treatments with oxidizing acids. HF/HCl demineralization of bulk meteorite results in similar fractional losses of C and trapped noble gases, which leads to the conclusion that various macromolecular carbonaceous substances serve as the main host phase for normal trapped noble gases and anomalous gases in acid-resistant residues, and as the carrier of the major part of trapped noble gases lost during HF/HCl demineralization. Limits on the possible abundances of dense mineralic host phases in the residues are obtained, and considerations of the nucleogenetic origin for CCF-XE indicate that carbonaceous host phases and various forms of organic matter in carbonaceous meteorites may have a presolar origin.

Ott, U.↗

Electric currents and voltage drops along auroral field lines

An assessment is presented of the current state of knowledge concerning Birkeland currents and the parallel electric field, with discussions focusing on the Birkeland primary region 1 sheets, the region 2 sheets which parallel them and appear to close in the partial ring current, the cusp currents (which may be correlated with the interplanetary B(y) component), and the Harang filament. The energy required by the parallel electric field and the associated particle acceleration processes appears to be derived from the Birkeland currents, for which evidence is adduced from particles, inverted V spectra, rising ion beams and expanded loss cones. Conics may on the other hand signify acceleration by electrostatic ion cyclotron waves associated with beams accelerated by the parallel electric field.

Stern, D. P.↗

Soft X-ray spectral observations of quasars and high X-ray luminosity Seyfert galaxies

Results of the analysis of 28 Einstein SSS observations of 15 high X-ray luminosity (L(x) 10 to the 435 power erg/s) quasars and Seyfert type 1 nuclei are presented. The 0.75-4.5 keV spectra are in general well fit by a simple model consisting of a power law plus absorption by cold gas. The averager spectral index alpha is 0.66 + or - .36, consistent with alpha for the spectrum of these objects above 2 keV. In all but one case, no evidence was found for intrinsic absorption, with an upper limit of 2 x 10 to the 21st power/sq cm. Neither was evidence found for partial covering of the active nucleus by dense, cold matter (N(H) 10 to the 22nd power/sq cm; the average upper limit on the partial covering fraction is 0.5. There is no obvious correlation between spectral index and 0175-4.5 keV X-ray luminosity (which ranges from 3 x 10 to the 43rd to 47th powers erg/s or with other source properties. The lack of intrinsic X-ray absorption allows us to place constraints on the density and temperature of the broad-line emission region, and narrow line emission region, and the intergalactic medium.

Petre, R.↗

Soft X-ray spectral observations of quasars and high X-ray luminosity Seyfert galaxies

Results of the analysis of 28 Einstein SSS observations of 15 high X-ray luminosity (L(x) 10 to the 435 power erg/s) quasars and Seyfert type 1 nuclei are presented. The 0.75-4.5 keV spectra are in general well fit by a simple model consisting of a power law plus absorption by cold gas. The average spectral index alpha is 0.66 + or -0.36, consistent with alpha for the spectrum of these objects above 2 keV. In all but one case, no evidence was found for intrinsic absorption, with an upper limit of 2 x 10 to the 21st power/sq cm. Neither was evidence found for partial covering of the active nucleus by dense, cold matter (N sub H greater than 10 to the 22nd power/sq cm); the average upper limit on the partial covering fraction is 0.5. There is no obvious correlation between spectral index and 0.75-4.5 keV X-ray luminosity (which ranges from 3 x 10 to the 43rd to 47th powers erg/s) or with other source properties. The lack of intrinsic X-ray absorption allows us to place constraints on the density and temperature of the broad-line emission region, and narrow line emission region, and the intergalactic medium. Previously announced in STAR as N84-14082

Petre, R.↗

Small Particle Response to Fluid Motion Using Tethered Particles to Simulate Microgravity

This paper reports on ground based work conducted to support the Spaceflight Definition project SHIVA (Spaceflight Holography Investigation in a Virtual Apparatus). SHIVA will advance our understanding of the movement of a particle in a fluid. Gravity usually dominates the equations of motion, but in microgravity as well as on earth other terms can become important. Through an innovative application of fractional differential equations, two members of our team produced the first analytical solution of a fundamental equation of motion, which had only been solved numerically or by approximation before. The general solution predicts that the usually neglected history term becomes important in particle response to a sinusoidal fluid movement when the characteristic viscous time is in the same order as the fluid oscillation period and peaks when the two times are equal. In this case three force terms, the Stokes drag, the added mass, and the history drag must all be included in predicting particle movement. We have developed diagnostic recording methods using holography to save all of the particle field data, allowing the experiment to essentially be transferred from space back to earth in what we call the virtual apparatus for on-earth microgravity experimentation. We can quantify precisely the three-dimensional motion of sets of particles, allowing us to test and apply the new analytical solutions. We are examining the response of particles up to 2 mm radius to fluid oscillation at frequencies up to 80 Hz with amplitudes up to 200 microns. Ground studies to support the flight development program have employed various schemes to simulate microgravity. One of the most reliable and meaningful methods uses spheres tethered to a fine hair suspended in the fluid. We have also investigated particles with nearly neutral buoyancy. Recordings are made at the peak amplitudes of vibration of the cell providing a measure of the ratio of fluid to particle amplitude. The experiment requires precise location of the particle to within microns during recording, and techniques for achieving this are one of the project challenges. Focused microscopic images and diffraction patterns are used. To make the experiment more versatile, the spaceflight system will record holograms both on film and electronically. A cross correlation procedure enables sub pixel accuracies for electronic recordings, partially accommodating the lower spatial resolution of CCDs. The electronic holograms can be down linked providing real time data. Results of the ground experiments, the flight experiment design, and data analysis procedures are reported.

Trolinger, James↗

Mantle Water Contents Beneath the Rio Grande Rift (NM, USA): FTIR Analysis of Rio Puerco and Kilbourne Hole Peridotite Xenoliths

Peridotite xenoliths from the Rio Grande Rift (RGR) are being analyzed for H (sub 2) O contents by FTIR (Fourier Transform Infrared) as well as for major and trace element compositions. Nine samples are from the Rio Puerco Volcanic Field (RP) which overlaps the central RGR and southeastern Colorado Plateau; seventeen samples are from Kilbourne Hole (KH) in the southern RGR. Spinel Cr# (Cr/(Cr+Al)) (0.08-0.46) and olivine Mg# (Mg/(Mg plus Fe)) (0.883-0.911) of all RGR samples fall within the olivine-spinel mantle array from [1], an indicator that peridotites are residues of partial melting. Pyroxene H (sub 2) O in KH correlate with bulk rock and pyroxene Al (sub 2) O (sub 3).The KH clinopyroxene rare earth element (REE) variations fit models of 0-13 percent fractional melting of a primitive upper mantle. Most KH peridotites have bulk-rock light REE depleted patterns, but five are enriched in light REEs consistent with metasomatism. Variation in H (sub 2) O content is unrelated to REE enrichment. Metasomatism is seen in RP pyroxenite xenoliths [2] and will be examined in the peridotites studied here. Olivine H (sub 2) O contents are low (less than or equal to 15 parts per million), and decrease from core to rim within grains. This is likely due to H loss during xenolith transport by the host magma [3]. Diffusion models of H suggest that mantle H (sub 2) O contents are still preserved in cores of KH olivine, but not RP olivine. The average H (sub 2) O content of Colorado Plateau clinopyroxene (670 parts per million) [4] is approximately 300 parts per million higher than RGR clinopyroxene (350 parts per million). This upholds the hypothesis that hydration-induced lithospheric melting occurred during flat-slab subduction of the Farallon plate [5]. Numerical models indicate hydration via slab fluids is possible beneath the plateau, approximately 600 kilometers from the paleo-trench, but less likely approximately 850 kilometers away beneath the rift [6].

Schaffer, L. A.↗

Marine Boundary Layer Cloud Property Retrievals from High-Resolution ASTER Observations: Case Studies and Comparison with Terra MODIS

A research-level retrieval algorithm for cloud optical and microphysical properties is developed for the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) aboard the Terra satellite. It is based on the operational MODIS algorithm. This paper documents the technical details of this algorithm and evaluates the retrievals for selected marine boundary layer cloud scenes through comparisons with the operational MODIS Data Collection 6 (C6) cloud product. The newly developed, ASTERspecific cloud masking algorithm is evaluated through comparison with an independent algorithm reported in Zhao and Di Girolamo (2006). To validate and evaluate the cloud optical thickness (tau) and cloud effective radius (r(sub eff)) from ASTER, the high-spatial-resolution ASTER observations are first aggregated to the same 1000m resolution as MODIS. Subsequently, tau(sub aA) and r(sub eff, aA) retrieved from the aggregated ASTER radiances are compared with the collocated MODIS retrievals. For overcast pixels, the two data sets agree very well with Pearson's product-moment correlation coefficients of R greater than 0.970. However, for partially cloudy pixels there are significant differences between r(sub eff, aA) and the MODIS results which can exceed 10 micrometers. Moreover, it is shown that the numerous delicate cloud structures in the example marine boundary layer scenes, resolved by the high-resolution ASTER retrievals, are smoothed by the MODIS observations. The overall good agreement between the research-level ASTER results and the operational MODIS C6 products proves the feasibility of MODIS-like retrievals from ASTER reflectance measurements and provides the basis for future studies concerning the scale dependency of satellite observations and three-dimensional radiative effects.

marine boundary layer↗

What determines the stellar mass functions in globular clusters?

We analyze the dependence of stellar mass function slopes for a sample of 17 globular clusters on a variety of cluster parameters. The principal novelty of our approach is the use of appropriate multivariate statistical methods to disentangle the complex situation which is present in this problem: the slopes depend simultaneously on more than one variable, and many cluster parameters are mutually correlated. We find that the mass function slopes in the range M/M(solar) = 0.5-0.8 are largely determined by the position in the Galaxy and to a lesser extent by the cluster metallicity. Clusters closer to the Galactic center or plane have shallower mass function slopes. At a given distance to the Galactic center, clusters closer to the Galactic plane have shallower mass function slopes. At a given R(GC) and/or Z(GP), more metal-rich clusters have shallower mass function slopes. Thus, the monovariate correlations with the position or metallicity are both correct, but only partial, and in terms of slopes, biased descriptions of the situation. We present trivariate least-squares solutions where the mass function slopes can be predicted within the measurement accuracy. This relation can serve as a powerful observational constraint for theories of globular cluster formation and evolution, and it is one of the tightest correlations between globular cluster properties now known.

Djorgovski, S.↗

Auroral electrojets and evening sector electron dropouts at synchronous orbit

Evidence is presented in support of the concept that, during magnetospheric substorms, ionospheric auroral electrojet currents are directly coupled to the proton partial ring current in the outer magnetosphere. It has been found that for sufficiently isolated substorms the timing of the start of the electron dropout and of its maximum depression is in good agreement with the start and maximum of electrojet activity as indicated by the auroral electrojet index. This correlation suggests a direct coupling between the electrojet currents and the proton partial ring current.

Erickson, K. N.↗

Characterization of Partial Charge Collection Induced by Neutron Damage in High-Purity Germanium Detectors

This paper investigates the correlation of damage induced by neutron interactions and degradation in the spectra of HPGe detectors. As neutrons kinetically interact with germanium crystals, they create interstitial and vacancy defects within the lattice. These defects then interfere with the charge migration of electron-hole pairs and reduce resolution in the observed energy spectrum. The partial charge collection produces observable spectral changes by increasing the peak width and reducing resolution (full width half maximum). A detailed characterization using various check sources was performed before and after iterations of neutron exposure in order to observe the effects of the neutron damage. An additional set of measurements was performed along with characterizations to show the detector’s response at discrete locations on the HPGe crystal. This was done to observe how the spectrum changes when the gamma rays are isolated to regions of various thicknesses of germanium. In order to impart damage, the detector was placed inside a californium shuffler with the face of the detector against the guide tube for the 252 Cf source. For irradiation of the HPGe, the source was then positioned in front of the face of the detector using the stepper motor of the shuffler. The neutron exposure time intervals were recorded and increased based on the initial damage observed. An MCNP simulation was performed to estimate the amount of interactions that occurred in the germanium crystal to ensure enough damage had occurred. Studying the effects that neutron damage imparts on a bullet-type HPGe detector can help provide necessary data to estimate total neutron exposure limits, reduce the likelihood of decisions made on suspect data, and aid in diagnostics of a damaged detector.

36 MATERIALS SCIENCE↗

Wire Crimp Termination Verification Using Ultrasonic Inspection

The development of a new ultrasonic measurement technique to quantitatively assess wire crimp terminations is discussed. The amplitude change of a compressional ultrasonic wave propagating through the junction of a crimp termination and wire is shown to correlate with the results of a destructive pull test, which is a standard for assessing crimp wire junction quality. Various crimp junction pathologies such as undercrimping, missing wire strands, incomplete wire insertion, partial insulation removal, and incorrect wire gauge are ultrasonically tested, and their results are correlated with pull tests. Results show that the nondestructive ultrasonic measurement technique consistently (as evidenced with destructive testing) predicts good crimps when ultrasonic transmission is above a certain threshold amplitude level. A physics-based model, solved by finite element analysis, describes the compressional ultrasonic wave propagation through the junction during the crimping process. This model is in agreement within 6% of the ultrasonic measurements. A prototype instrument for applying this technique while wire crimps are installed is also presented. The instrument is based on a two-jaw type crimp tool suitable for butt-splice type connections. Finally, an approach for application to multipin indenter type crimps will be discussed.

Perey, Daniel F.↗