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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Interstellar Extinction in the Vicinity of the Galactic Center

We present J (1.2 microns), H (1-6 microns), K' (2.11 microns) and Br(gamma) (2.166 microns) images from four large regions within the central 40 pc of the Galaxy. Localized variations in the extinction, as determined by observations of the stellar population, are examined using the median H-K' color as a function of position within each region. As the value of the derived extinction from the stars is dependent upon the intrinsic magnitude of the assumed stellar type, the J-H vs. H-K' diagrams are first used to investigate the distribution of stellar types in the four regions. We find that there is a distinct OB population, contrary to earlier assumptions, with the ratio of K and M giants and supergiants to OB stars approximately twice that of the solar neighborhood. Although the on the scale of approx. l' fluctuations in the extinction are on the order of A(sub V) approx. 2, throughout the entire region the extinction varies from A(sub V) approx. greater than 25 to A(sub V) approx. less than 40. We also examine whether there is any variation in the extinction and stellar number density relative to the usual radio features in these regions and do not find a significant correlation. Spectral imaging in Br(gamma) 2.166 microns emission shows a strong morphological correspondence between the 6 cm radio images and the diffuse Br(gamma) emission. By comparing the theoretical Br(gamma) flux derived from the radio flux using recombination theory, with our measured Br(gamma) flux, we obtain a second, independent, estimate of the extinction. We compare the two data sets and find that the extinction as derived from the stars is consistently greater, sometimes by a factor of two, than the value of the extinction derived from the Br(gamma) images. The derived extinction in various regions, however, is insufficient for any of these regions-to be located behind the molecular clouds as previously observed in the Galactic Center, consistent with the theory that the observed radio emission is produced on the foreground surface of these clouds.

Cotera, Angela S.↗
NASA NTRS2006

Kilometric Continuum Radiation

Kilometric continuum (KC) is the high frequency component (approximately 100 kHz to approximately 800 kHz) of nonthermal continuum (NTC). Unlike the lower frequency portion of NTC (approximately 5 kHz to approximately 100 kHz) whose source is around the dawn sector, the source of KC occurs at all magnetic local times. The latitudinal beaming of KC as observed by GEOTAIL is, for most events, restricted to plus or minus 15 degrees magnetic latitude. KC has been observed during periods of both low and strong geomagnetic activity, with no significant correlation of wave intensity with K(sub p), index. However statistically the maximum observed frequency of KC emission tends to increase with K(sub p) index, the effect is more pronounced around solar maximum, but is also detected near solar minimum. There is strong evidence that the source region of KC is from the equatorial plasmapause during periods when a portion of the plasmapause moves significantly inwards from its nominal position. Case studies have shown that KC emissions are nearly always associated with plasmaspheric notches, shoulders, and tails. There is a recent focus on trying to understand the banded frequency structure of this emission and its relationship to plasmaspheric density ducts and irregularities in the source region.

Green, James L.↗
DOE OSTI2025

Bridging interfacial properties and cell performance: A multiscale model for proton-exchange-membrane fuel cells

Here, to elucidate the impact of local interfaces on mass-transport resistance and overall cell performance of low-loaded proton-exchange-membrane fuel cells (PEMFCs), we present a multiscale modeling framework incorporating a novel modified agglomerate model. The model considers three distinct Pt-electrolyte interfaces: Pt on the carbon surface covered by either ionomer or water film and Pt inside carbon nanopores. Detailed mass-transport voltage-loss breakdowns reveal that coupled agglomerate-interface-scale mass transport dominates the mass-transport loss. The ionomer poisons the exterior-Pt surface through suppressing O 2 adsorption and intrinsic ORR activity, leading to low current-density performance. Conversely, interior-Pt interface enhances the kinetic performance but limits high current-density performance due to its low interfacial permeability. The exterior-Pt/water interface demonstrates superior kinetic performance and mass transport, though its practical implementation requires ensuring proton transport. By coupling the multiscale CL properties with ink parameters, the model identifies an optimal I to C ratio of approximately 0.5, a moderate value where the ionomer content is sufficient to guarantee proton transport without fully covering the Pt surface and forming large agglomeration, thus allowing the utilization of the Pt-water interface and avoiding high mass-transport loss. Overall, the model helps unravel limiting phenomena across different operating regimes and provides routes for optimizing performance.

Cell diagnostic↗
NASA NTRS1974

The local complex of O and B stars. I - Distribution of stars and interstellar dust

The O-B5 stars, supergiants, young clusters, and associations within 1 kpc of the sun populate two flat systems inclined to each other by 19 to 22 deg. The historical background, statistical significance, composition, spatial arrangement of the contents, and interstellar extinction in the two belts are discussed. A more or less random distribution in space and in age characterizes the O-B5 stars of the 'galactic belt', which is aligned nearly along the Milky Way. The 'Gould belt' is inclined to the Milky Way (north in Sco-Oph and south in Orion), and exhibits a projected distribution of O-B5 stars in its mean plane that resembles a 'dragonfly', with five major features defining it. A crude 'diameter' of the system is 750 to 1000 pc, and the sun's position is eccentric, lying toward Ophiuchus. The nuclear age of the system, while not unique, may be characterized as 30 m.y. from the spectral type of the broad main-sequence turnup near B2-5. Most of the O-B2 stars and youngest stellar groups near the sun belong to the Gould belt, but both belts have approximately equal space densities of B3-B5 stars and similar average values of interstellar extinction.-

Stothers, R.↗
NASA NTRS1998

Interstellar Extinction in the Vicinity of the Galactic Center

We present J (1.2 microns) H (1-6 microns) K' (2.11 microns) and Br(gamma) (2.166 microns) images from four large regions within the central 40 pc of the Galaxy. Localized variations in the extinction, as determined by observations of the stellar population, are examined using the median H-K' color as a function of position within each region. As the value of the derived extinction from the stars is dependent upon the intrinsic magnitude of the assumed stellar type, the J-H vs. H-K' diagrams are first used to investigate the distribution of stellar types in the four regions. We find that there is a distinct OB population, contrary to earlier assumptions, with the ratio of K and M giants and supergiants to OB stars approximately twice that of the solar neighborhood. Although the on the scale of approx. 1 min. fluctuations in the extinction are on the order of A(sub V) approx. greater than 2, throughout the entire region the extinction varies from A(sub V) approx. greater than 25 to A(sub V) approx. less than 40. We also examine whether there is any variation in the extinction and stellar number density relative to the unusual radio features in these regions and do not find a significant correlation. Spectral imaging in Br(gamma) 2.166 microns emission shows a strong morphological correspondence between the 6 cm radio images and the diffuse Br(gamma) emission. By comparing the theoretical Br(gamma) flux derived from the radio flux using recombination theory, with our measured Br(gamma) flux, we obtain a second, independent, estimate of the extinction. We compare the two data sets and find that the extinction as derived from the stars is consistently greater, sometimes by a factor of two, than the value of the extinction derived from the Br(gamma) images. The derived extinction in various regions, however, is insufficient for any of these regions to be located behind the molecular clouds as previously observed in the Galactic Center, consistent with the theory that the observed radio emission is produced on the foreground surface of these clouds.

Cotera, Angela S.↗
DOE OSTI2022

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ~8-fold GPU-CPU speedup for these operations on the largest systems studied. In conclusion, the computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ~7,000 atoms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

Density functional embedding theory (DFET) enables use of electronic structure methods with higher accuracy than density functional theory in a local region, with applications thus far ranging from (photo/electro)catalysis to reactions in solution. DFET partitions a large collection of atoms into smaller groups that interact via a shared embedding (interaction) potential V emb , determined via functional optimization. The optimized effective potential (OEP) process used to optimize V emb is time-consuming and becomes a computational bottleneck due to sharp, oscillating features of V emb near nuclei. Here, similar to pseudopotential theory, by reconstructing electron densities used in the OEP process from smoother pseudo-valence-only (PVO) electron densities as proxies for total densities of the full system and subsystems, we can retain accuracy in the embedded electronic structure calculations while potentially reducing the overhead of V emb construction, within the projector augmented-wave (PAW) formalism. We explore three different chemical reactions as exemplars to test PVO–DFET, namely, H 2 dissociative adsorption on a Cu(111) surface, H 2 O adsorption on a Pt(111) surface, and aqueous [Ca 2+ –SO 4 2– ] ion-pair formation. The PVO approximation works well for all three systems with minimal loss of accuracy (∼10–70 meV error relative to the original exact-derivative (ED) approach) while accelerating V emb generation for the Cu and Pt systems respectively by 20× and 5×. Given proper numerical convergence parameters, the spatial distributions of differences between PVO- and ED-based V emb outside the core regions are small, explaining the exceptional agreement between the two approaches. Finally, we anticipate that this more efficient PVO–DFET approximation will be useful whenever computation of V emb is much more expensive than subsequent embedded high-level electron correlation calculations.

approximation↗
DOE OSTI2026

Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations

Vacancy-mediated diffusion barriers in 316 stainless steel have been systematically calculated using density functional theory to provide essential parameters for mesoscale microstructure evolution models. A statistical sampling approach employing 210 nudged elastic band calculations across multiple special quasi-random structures captures the effects of local chemical environments in this concentrated alloy. The computational methodology addresses challenges specific to chemically disordered systems, including proper magnetic treatment throughout multi-step calculations and validation against experimental structural properties. The calculated activation barriers reveal clear species-dependent diffusion behavior with the hierarchy Ni >> Fe ˜ Cr >> Mo. Nickel exhibits the highest barriers (0.74–1.31 eV, mean 1.045 eV), confirming its role as the slowest-diffusing major component. Iron and chromium show similar moderate barriers averaging 0.587 eV and 0.522 eV, respectively. Remarkably, molybdenum demonstrates exceptionally low barriers (0.12–0.28 eV, mean 0.194 eV), suggesting much higher mobility than previously recognized and potentially significant implications for precipitation kinetics and microstructure evolution. The barrier ranges remain consistent across different 316 SS compositions, supporting parameter transferability for modeling applications. The overall mean barrier of 0.64 eV provides a practical approximation for phase field simulations, while species-specific values enable detailed treatments of diffusion-controlled processes. This systematic approach establishes a validated framework for generating diffusion parameters in other concentrated alloys where experimental data are limited, while providing the first systematic set of species-specific barriers for predictive modeling of 316 stainless steel microstructure evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The impact of urban configuration types on urban heat islands, air pollution, CO 2 emissions, and mortality in Europe: a data science approach

The world is becoming increasingly urbanized. As cities around the world continue to grow, it is important for urban planners and policymakers to understand how different urban configuration patterns affect the environment and human health. We aimed at identifying European urban configuration types, based on the Local Climate Zones categories and street design variables from Open Street Map, and evaluating their association with motorized traffic flows, Surface Urban Heat Island (SUHI) intensities, tropospheric nitrogen dioxide (NO 2 ), CO 2 per capita emissions and age-standardized mortality. We considered 946 European cities from 31 countries for the analysis defined in the 2018 Urban Audit database, of which 919 European cities were analysed. Data were collected at a 250 m × 250 m grid cell resolution. We divided all cities into five concentric rings based on the Burgess concentric urban planning model and calculated the mean values of all variables for each ring. First, to identify distinct urban configuration types, we applied the Uniform Manifold Approximation and Projection for Dimension Reduction method, followed by the k-means clustering algorithm. Next, statistical differences in exposures (including SUHI) and mortality between the resulting urban configuration types were evaluated using a Kruskal–Wallis test followed by a post-hoc Dunn's test. We identified four distinct urban configuration types characterising European cities: compact high density (n=246), open low-rise medium density (n=245), open low-rise low density (n=261), and green low density (n=167). Compact high density cities were a small size, had high population densities, and a low availability of natural areas. In contrast, green low-density cities were a large size, had low population densities, and a high availability of natural areas and cycleways. The open low-rise medium and low-density cities were a small to medium size with medium to low population densities and low to moderate availability of green areas. Motorised traffic flows and NO 2 exposure were significantly higher in compact high density and open low rise medium density cities when compared with green low density and open low-rise low density cities. Additionally, green low-density cities had a significantly lower SUHI effect compared with all other urban configuration types. Per person CO 2 emissions were significantly lower in compact high density cities compared with green low density cities. Lastly, green low density cities had significantly lower mortality rates when compared with all other urban configuration types. Our findings indicate that, although the compact city model is more sustainable, European compact cities still face challenges related to poor environmental quality and health. Our results have notable implications for urban and transport planning policies in Europe and contribute to the ongoing discussion on which city models can bring the greatest benefits for the environment, climate, and health.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Accelerating defect predictions in semiconductors using graph neural networks

First-principles computations reliably predict the energetics of point defects in semiconductors but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especially ones that sufficiently encode defect coordination environments, can be used to accelerate defect predictions. Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of group IV, III–V, and II–VI zinc blende semiconductors, powered by crystal Graph-based Neural Networks (GNNs) trained on high-throughput density functional theory (DFT) data. Using an innovative approach of sampling partially optimized defect configurations from DFT calculations, we generate one of the largest computational defect datasets to date, containing many types of vacancies, self-interstitials, anti-site substitutions, impurity interstitials and substitutions, as well as some defect complexes. We applied three types of established GNN techniques, namely crystal graph convolutional neural network, materials graph network, and Atomistic Line Graph Neural Network (ALIGNN), to rigorously train models for predicting defect formation energy (DFE) in multiple charge states and chemical potential conditions. We find that ALIGNN yields the best DFE predictions with root mean square errors around 0.3 eV, which represents a prediction accuracy of 98% given the range of values within the dataset, improving significantly on the state-of-the-art. We further show that GNN-based defective structure optimization can take us close to DFT-optimized geometries at a fraction of the cost of full DFT. The current models are based on the semi-local generalized gradient approximation-Perdew–Burke–Ernzerhof (PBE) functional but are highly promising because of the correlation of computed energetics and defect levels with higher levels of theory and experimental data, the accuracy and necessity of discovering novel metastable and low energy defect structures at the PBE level of theory before advanced methods could be applied, and the ability to train multi-fidelity models in the future with new data from non-local functionals. The DFT-GNN models enable prediction and screening across thousands of hypothetical defects based on both unoptimized and partially optimized defective structures, helping identify electronically active defects in technologically important semiconductors.

Rahman, Md Habibur (ORCID:000000027705984X)↗
DOE OSTI2025

Energy transfer between localized emitters in photonic cavities from first principles

Radiative and nonradiative resonant couplings between defects are ubiquitous phenomena in photonic devices used in classical and quantum information technology applications. In this work, we present a first-principles approach to enable quantitative predictions of the energy transfer between defects in photonic cavities, beyond the dipole-dipole approximation and including the many-body nature of the electronic states. As an example, we discuss the energy transfer from a dipolelike emitter to an 𝐹 center in MgO in a spherical cavity. We show that the cavity can be used to controllably enhance or suppress specific spin-flip and spin-conserving transitions. Specifically, we predict that an ∼10–100 enhancement in the resonant energy transfer rate can be gained in the case of the 𝐹 center in MgO at ∼10 nm distances from a dipolar source, using rather moderate cavity with quality factor 𝑄 ∼ 400. We also show that a similar suppression in the transfer rate can be achieved by off-tuning the cavity resonance relative to the emitter transition energy. The framework presented here is general and readily applicable to a wide range of devices where localized emitters are embedded in microspheres, core-shell nanoparticles, and dielectric Mie resonators. Hence, our approach paves the way to predict how to control energy transfer in quantum memories and in ultrahigh-density optical memories, and in a variety of quantum information platforms.

First-principles calculations↗
NASA NTRS2002

Glennan Microsystems Initiative

During the 2001-2002 award period, we performed research on Pt/Ti/bare 6H-SiC and bare 4H-SiC interfaces in order to identify their electronic properties as a function of surface preparation. The overall aim of this work is to optimize the electronic properties of metal contacts to SiC as well as the active SiC material itself as a function of surface preparation and subsequent processing. Initially, this work has involved identifying bare surface, subsurface, and metal induced gap states at the metal-SiC contact and correlating energies and densities of deep levels with Schottky barrier heights. We used low energy electron-excited nanoluminescence (LEEN) spectroscopy, X-ray photoemission spectroscopy (XPS), and Secondary Ion Mass Spectrometry (SIMS) in order to correlate electronic states and energy bands with chemical composition, bonding, and crystal structure. A major development has been the discovery of polytype transformations that occur in 4H-SiC under standard microelectronic process conditions used to fabricate SiC devices. Our results are consistent with the stacking fault generation, defect formation, and consequent degradation of SiC recently reported for state-of-the-art ABB commercial diodes under localized electrical stress. Our results highlight the importance of -optimizing process conditions and material properties - anneal times, temperatures and doping to control such structural changes within epitaxial SiC layers. Thus far, we have established threshold times and temperatures beyond which 4H-SiC exhibits 3C-SiC transformation bands for a subset of dopant concentrations and process conditions. On the basis of this temperature time behavior, we have been able to establish an activation energy of approximately 2.5 eV for polytype transformation and dislocation motion. Work continues to establish the fundamental mechanisms underlying the polytype changes and its dependence on material parameters.

Brillson, Leonard J.↗
DOE OSTI2026

Importance of finite-size corrections for accurate ab initio modeling of carrier capture at semiconductor defects: A case study of substitutional C N in GaN

In ab initio studies of carrier-capture processes in defective semiconductor materials, the single-effective-mode formalism and the static-coupling approximation have become the predominant theoretical approaches for determining carrier-capture coefficients. The single-mode formalism relies on accurate nonequilibrium defect energies obtained from density-functional theory (DFT), where required inputs are a series of configurationally displaced, defect-containing supercells obtained using an interpolative ansatz, and where the DFT outputs are corresponding total energies that have traditionally been postprocessed using a long-established ground-state formulation of finite-size corrections and defect-formation energies. This formulation remains commonly used even though the defects that form a configuration-coordinate (CC) diagram typically exist as structures that are displaced from the ground state. To remedy this inconsistency, Kumagai has recently proposed novel methods for implementing finite-size corrections specifically intended for DFT calculations of the defect energies used to construct CC diagrams and implement the single-mode formalism [Y. Kumagai, Phys. Rev. B 107, L220101 (2023)]. Kumagai's approach builds on the latest finite-size-correction methods introduced to describe vertical charge-state transitions for charge-localizing point defects in semiconductors and insulators [T. Gake et al., Phys. Rev. B 101, 020102 (2020); S. Falletta et al., Phys. Rev. B 102, 041115 (2020)]. The newly identified finite-size artifact treated in these studies is the polarization charge induced on a configurationally frozen defect and its subsequent interaction with a vertical transition in charge state. In this work, we evaluate Kumagai's proposed methodology by applying it in a high-precision DFT study of carrier capture by substitutional C N in GaN, a well-characterized and technologically relevant defect and material. We have rigorously calculated C N defect energies across various supercell sizes for each defect configuration and charge state on the hole-capture CC diagram of C N (𝑞=−1), enabling a direct comparison of the slopes of the defect energies versus inverse cell size with those predicted by Kumagai. The most consequential prediction of Kumagai's method is that these slopes distinctly vary as the square of the linear-interpolation parameter used to construct the nonequilibrium defect configurations. Our results quantitatively support this prediction. Moreover, with these new finite-size corrections and multiple-cell-size DFT calculations in place, we find that the classical energy barrier for hole capture by C N (𝑞=−1) in GaN decreases to 0.092–0.127 eV. This finding confirms the recent ≈ 0.1 eV prediction of Reshchikov based on the weak temperature dependence for hole capture observed in photoluminescence experiments [M. A. Reshchikov, J. Appl. Phys. 129, 121101 (2021)]. These results stand in stark contrast to previously calculated barriers of 0.486 and 0.73 eV, which also used the single-mode formalism but were obtained by instead using ground-state-based finite-size corrections. Our reduced classical barrier for capture increases the temperature-dependent hole-capture coefficient of a C N (𝑞=−1) defect by more than two to four orders of magnitude for temperatures of 100–600 K, compared to the previous 0.486 eV results. While other defects may not be as dramatically affected as here, we suggest that incorporating proper finite-size corrections for the vertical-transition-like states embedded within CC diagrams is an essential, yet previously unrecognized, component of accurate modeling of carrier-capture when using the single-effective-mode formalism.

dielectric properties↗
DOE OSTI2024

First-principles residual resistivity using a locally self-consistent multiple scattering method

The locally self-consistent multiple scattering (LSMS) method can perform efficient first-principles calculations of systems with a large number of atoms. Here, in this paper, we combine the Kubo-Greenwood equation with LSMS, enabling us to calculate the first-principles residual resistivity of large systems. This has been implemented in the open-source code LSMS . We apply this method to selected pure elements and binary random alloys. The results compare well with experiment, and with values obtained from a first-principles effective medium technique (the Korringa-Kohn-Rostoker coherent potential approximation). We discuss future applications of this method to complex systems where other methods are not applicable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Highly dispersed Co deposited on Al 2 O 3 particles via CoCp 2 + H 2 ALD

Highly dispersed cobalt atoms were deposited on porous alumina particles using atomic layer deposition (ALD) with a CoCp 2 /H 2 chemistry at approximately 7 wt%. H 2 did not completely reduce the cyclopentadienyl organic ligands bound to deposited Co atoms at ALD reaction conditions. A sharp decline in Co deposited per cycle for two or more ALD cycles indicates that much of the Al 2 O 3 surface is sterically blocked from further CoCp 2 deposition after the first CoCp 2 exposure. Temperature programmed reduction confirmed that the adsorbed precursor organic ligands persist after H 2 exposures during ALD and temperatures as high as 500 °C are required to fully reduce the organic ligands to CH 4 . High resolution, element sensitive imaging showed that Co atoms were dispersed on the Al 2 O 3 surface and could deposit in previously unobserved multiple growth morphologies, specifically layers that were continuous over several angstroms or discrete nanoparticles. Density functional theory calculations were used to examine Co atom adsorption, show the altered haptic binding of cracked Cp ligands, and to calculate the thermodynamics of Cp ligand decomposition. The lateral steric hindrance between organic ligands bound to deposited Co atoms, Cp ligand decomposition mechanism, and local Al 2 O 3 surface termination all likely determine the observed Co growth morphology during initial ALD cycles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Electronic structure and topology across T c in the magnetic Weyl semimetal Co 3 Sn 2 S 2

Co 3 Sn 2 S 2 is a magnetic Weyl semimetal, in which ferromagnetic ordering at 177 K is predicted to stabilize Weyl points. We perform temperature and spatial dependent angle--resolved photoemission spectroscopy measurements through the Curie temperature (T c ), which show large band shifts and renormalization concomitant with the onset of magnetism. We argue that Co 3 Sn 2 S 2 evolves from a Mott ferromagnet below T c to a correlated metallic state above T c . To understand the magnetism, we derive a tight-binding model of Co-3d x 2 -y 2 orbitals on the kagome lattice. At the filling obtained by first-principles calculations, this model reproduces the ferromagnetic ground state, and results in the reduction of Coulomb interactions due to cluster effects. Using a disordered local moment simulation, we show how this reduced Hubbard U leads to a collapse of the bands across the magnetic transition, resulting in a correlated state which carries associated characteristic photoemission signatures that are distinct from those of a simple lifting of exchange splitting. Finally, the behavior of topology across T c is discussed in the context of this description of the magnetism.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Image Dis-Integration for Improved Plasmasphere Visualization

Traditionally, study of the plasmasphere has involved terrestrial observation of local characteristics. Global modeling of the plasmasphere in such an observation regime made use of an ensemble of (sparse) local measurements. Recently, sensors aboard the IMAGE (Imager for Magnetopause-to-Aurora Global Exploration) satellite (in particular, the EUV (Extreme Ultra Violet) Imager) have created the potential for truly global study of the plasmasphere. IMAGE was launched in spring of 2000 in an orbit with apogee altitude 7.2 R E (Earth radii) and perigee altitude 1000 km. IMAGE's EUV sensor allows an external view of the distribution of cold plasma in the plasmasphere to be acquired. EUV is designed to image light emission at 30.4 nanometers, which is the emission wavelength of the He + ion in the presence of solar radiation. He + makes up approximately 15-20% of the plasma in the plasmasphere, thus imaging of He + enables determination of plasma distribution. The EUV instrument provides a 90° by 84° field of view which is imaged as an equally spaced 150x140 pixel array on a spherical imaging surface. The EUV produces an image approximately every 10 minutes when the sensor is operating. Since EUV images contain line-of-sight integrations of plasma distributions, they do not directly express equatorial plane density (which would enable comparison of observed plasma distributions with predictions from models). Furthermore, the plasma density at any point in three-space is not known. The goal of our work was development of a technique that can enable plasma density to be determined throughout three-space. Our approach to creation of a three-space representation of the plasma distribution involves disintegrating the EUV lines of sight to form a volumetric map of plasma densities.

Timothy S. Newman↗
NASA NTRS1994

The cosmological dependence of cluster density profiles

We use N-body simulations to study the shape of mean cluster density and velocity profiles in the nonlinear regime formed via gravitational instability. The dependence of the final structure on both cosmology and initial density field is examined, using a grid of cosmologies and scale-free initial power spectra P(k) varies as k(exp n). Einstein-de Sitter, open (Omega(sub 0) = 0.2 and 0.1) and flat, low density (Omega(sub 0) = 0.2 lambda(sub 0) = 0.8) models are examined, with initial spectral indices n = -2, -1 and 0. For each model, we stack clusters in an appropriately scaled manner to define an average density profile in the nonlinear regime. The profiles are well fit by a power law rho(r) varies as r(exp -alpha) for radii whereat the local density contrast is between 100 and 3000. This covers 99% of the cluster volume. We find a clear trend toward steeper slopes (larger alphas) with both increasing n and decreasing Omega(sub 0). The Omega(sub 0) dependence is partially masked by the n dependence; there is degeneracy in the values of alpha between the Einstein-de Sitter and flat, low-density cosmologies. However, the profile slopes in the open models are consistently higher than the Omega = 1 values for the range of n examined. Cluster density profiles are thus potentially useful cosmological diagnostics. We find no evidence for a constant density core in any of the models, although the density profiles do tend to flatten at small radii. Much of the flattening is due to the force softening required by the simulations. An attempt is made to recover the unsoftened profiles assuming angular momentum invariance. The recovered profiles in Einstein-de Sitter cosmologies are consistent with a pure power law up to the highest density contrasts (10(exp 6)) accessible with our resolution. The low-density models show significant deviation from a power law above density contrasts approximately 10(exp 5). We interpret this curvature as reflecting the non-scale-invariant nature of the background cosmology in these models. These results are at the limit of our resolution and so should be tested in the future using simulations with larger numbers of particles. Such simulations will also provide insight on the broader problem of understanding, in a statistical sense, the full phase space structure of collapsed, cosmological halos.

Crone, Mary M.↗