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NASA NTRS2005

Phase Equilibrium Investigations of Planetary Materials

This grant provided funds to carry out phase equilibrium studies on the processes of chemical differentiation of the moon and the meteorite parent bodies, during their early evolutionary history. Several experimental studies examined processes that led to the formation of lunar ultramafic glasses. Phase equilibrium studies were carried out on selected low-Ti and high-Ti lunar ultramafic glass compositions to provide constraints on the depth range, temperature and processes of melt generation and/or assimilation. A second set of experiments examined the role of sulfide melts in core formation processes in the earth and terrestrial planets. The major results of each paper are discussed, and copies of the papers are attached as Appendix I.

Grove, T. L.↗

NASA NTRS1992

Dynamics and energetics of the solar corona

The primary objective of this research program is to improve our understanding of the dynamics and energetics of the solar corona both in the quiescent dynamic equilibrium state when coronal structure is dominated by the equatorial streamer belt and in the eruptive state when coronal plasma is ejected into the interplanetary medium. Numerical solutions of the time-dependent magnetohydrodynamic (MHD) equations and comparisons of the computed results with observations form the core of the approach to achieving this objective. Some of the specific topics that have been studied are: (1) quiescent coronal streamers in an atmosphere dominated by a dipole magnetic field at large radii, (2) the formation of coronal mass ejections (CMEs) in quiescent streamers due to the emergence of new magnetic flux and due to photospheric shear motion, (3) MHD shock formation near the leading edge of CMEs, (4) coronal magnetic arcade eruption as a result of applied photospheric shear motion, and (5) the three-dimensional structure of CMEs.

Steinolfson, R. S.↗

NASA NTRS1993

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗

DOE OSTI2025

Peeling-ballooning modes in spherical tokamaks: Multi-branch instabilities and effects beyond ideal MHD

A number of important physics effects on the stability of relatively high-n (n is the toroidal mode number) peeling-ballooning modes (PBMs) are investigated based on an equilibrium reconstructed from a NSTX discharge, utilizing extended magnetohydrodynamic (MHD) eigenvalue solvers. For a given toroidal mode number n, multiple branches of instabilities are computed, with the total number of unstable branches roughly linearly scaling with n. Most of the unstable branches are located in the plasma core region, but edge-localized branches, i.e., PBMs, are also identified at higher n-numbers. For the single-fluid-wise most unstable PBM with n = 19⁠, stabilizing/destabilizing effects due to various physics beyond ideal MHD are systematically investigated. Plasma toroidal flow is found to be weakly stabilizing. Local flow shear is generally stabilizing as well, with the degree of stabilization depending on the initial growth rate (without flow shear) of the mode. The plasma resistivity can strongly destabilize the PBM within the single-fluid framework. Anisotropic thermal transport, strong parallel sound wave damping, as well as two-fluid effects are all stabilizing to the mode. In particular, diamagnetic stabilization (within the two-fluid model) is found to be very strong for this mode.

Linear stability analysis↗

NASA NTRS2004

Mass and Dynamical Structures of the Lensing Clusters CL0024+17 and CL2244+02

We present a detailed gravitational mass measurement based on the XMM-Newton imaging spectroscopy analysis of the lensing cluster of galaxies CL0024+17 at $z = 0.395$. The emission appears approximately symmetric. However, on the scale of $r\sim3.3'$, some indication of elongation is visible in the northwest-southeast direction from the hardness ratio map. Within $3'$, we measure a global gas temperature of $3.52\pm0.17$ keV, metallicity of $0.22\pm0.07$, and a bolometric luminosity of $2.9\pm0. l\times10(exp 44)$ erg/s. We derive a temperature distribution with an isothermal temperature of 3.9 keV up to a radius of $1.5'$ and a strong temperature gradient in the outskirts ($1.3' less than r less than 3.3'$). Under the assumption of hydrostatic equilibrium, we measure the gravitational mass and gas mass fraction to be $M-{200} = 2.0\pm0.3\times 10(exp 14)$ solar masses and $f-{gas} = 0.20\pm0.03$ at $r-{200} = 1.05$ Mpc (all for a Hubble constant of 70 km/sec/Mpc) using the observed gas temperature profile. The complex core structure is the key to explaining the discrepancy between the gravitational mass determined from the XMM-Newton observations and HST optical lensing measurements.

Forman, William↗

NASA NTRS1982

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

Metal atom clusters are studied based on the application of ab initio quantum mechanical approaches. Because these large 'molecular' systems pose special practical computational problems in the application of the quantum mechanical methods, there is a special need to find simplifying techniques that do not compromise the reliability of the calculations. Research is therefore directed towards various aspects of the implementation of the effective core potential technique for the removal of the metal atom core electrons from the calculations.

Kahn, L. R.↗

DOE OSTI2026

Effects of negative triangularity on microinstabilities in a low-recycling lithium-wall spherical tokamak

In this work, we present a linear gyrokinetic study of the impact of negative triangularity (NT) on microinstabilities in the Lithium Tokamak eXperiment-β (LTX-β), a low-recycling spherical tokamak with liquid lithium plasma-facing components that produce flat electron-temperature profiles [Elliott et al., IEEE Trans. Plasma Sci. 48, 1382 (2020)]. While NT is widely recognized as a stabilizing mechanism and often associated with improved confinement in conventional tokamaks, this study reveals that its effect is not universally stabilizing in the parameter regime of LTX-β and is shown to be highly sensitive to local equilibria. Using local linear simulations with the GS2 code [Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)] at ρ=0.3, 0.5, and 0.8 for two representative discharges (#103955 and #109355), and employing the Miller equilibrium model to isolate shaping effects, we find that NT can transition from stabilizing to destabilizing depending on magnetic shear, safety factor, and electron-temperature gradient. In shot #103955, NT reduces growth rates across radii, with strongest stabilization at the edge, whereas in shot #109355, it is stabilizing in the core but destabilizing at mid-radius and edge under experimental conditions. Parametric scans show that flattening the electron-temperature profile, increasing magnetic shear, and reducing the safety factor recover NT stabilization. These results demonstrate that NT stabilization is tunable rather than intrinsic and requires coordinated control of magnetic geometry and gradient drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

The Second Most Distant Cluster of Galaxies in the Extended Medium Sensitivity Survey

We report on our ASCA, Keck, and ROSAT observations of MS 1137.5+6625, the second most distant cluster of galaxies in the Einstein Extended Medium Sensitivity Survey (EMSS), at redshift 0.78. We now have a full set of X-ray temperatures, optical velocity dispersions, and X-ray images for a complete, high-redshift sample of clusters of galaxies drawn from the EMSS. Our ASCA observations of MS 1137.5 +6625 yield a temperature of 5.7 (+2.1)(-1.1) keV and a metallicity of 0.43 (+40)(-3.7) solar, with 90% confidence limits. Keck II spectroscopy of 22 cluster members reveals a velocity dispersion of 884 (+185)(-124) km 24/s. This cluster is the most distant in the sample with a detected iron line. We also derive a mean abundance at z = 0.8 by simultaneously fitting X-ray data for the two z = 0.8 clusters, and obtain an abundance of Z(sub Fe) = 0.33 (+.26)(-.23). Our ROSAT observations show that MS 1137.5+6625 is regular and highly centrally concentrated. Fitting of a Beta model to the X-ray surface brightness yields a core radius of only 71/h kpc (q(sub o) = 0.1) with Beta = 0.70(+.45)(-.15) The gas mass interior to 0.5/h Mpc is thus 1.2 (+0.2)(-0.3) X 10(exp 13) h(exp - 5/2) Solar Mass (q(sub o) = 0.1). If the cluster's gas is nearly isothermal and in hydrostatic equilibrium with the cluster potential, the total mass of the cluster within this same region is 2.1(+1.5)(-0.8) X 10exp 14)/h Solar Mass, giving a gas fraction of 0.06 +/-0.04 h (exp -3/2). This cluster is the highest redshift EMSS cluster showing evidence for a possible cooling flow (about 20-400 Solar Mass/yr). The velocity dispersion, temperature, gas fraction, and iron abundance of MS 1137.5+6625 are all statistically the same as those properties in lower red- shift clusters of similar luminosity. With this cluster's temperature now in hand, we derive a high-redshift temperature function for EMSS clusters at 0.5 < z < 0.9 and compare it with temperature functions at lower redshifts, showing that the evolution of the temperature function is relatively modest. Supplementing our high-redshift sample with other data from the literature, we demonstrate that neither the cluster luminosity-temperature relation, nor cluster metallicities, nor the cluster gas evolved with redshift. The very modest degree of evolution in the luminosity-temperature relation inferred from these data is inconsistent with the absence of evolution in the X-ray luminosity functions derived from ROSAT cluster surveys if a critical density structure formation model is assumed.

Donahue, Megan↗

NASA NTRS1978

Effective core potentials for the cadmium and mercury atoms

Ab initio effective core potentials have been obtained for the cadmium and mercury atoms by the methods of Kahn et al. (1976). Both two and twelve valence electron representations of Cd and Hg were tested for various atom state-configurations by comparison with all-electron calculations. The generated potentials were used to obtain the equilibrium bond distances and molecular binding energies for the dichloride and dimethyl compounds of both atoms from single and optimum-double configuration self-consistent field calculations.

Basch, H.↗

NASA NTRS1992

Simultaneous temperature and multispecies measurement in a lifted hydrogen diffusion flame

UV spontaneous vibrational Raman scattering and laser-induced predissociative fluorescence (LIPF) techniques are combined and applied to a lifted hydrogen jet diffusion flame. Simultaneous, temporally and spatially resolved point measurements of temperature, major species concentrations (H2, O2, N2, H2O), and absolute hydroxyl radical concentration (OH) are obtained with a 'single' excimer laser for the first time. For OH measurements, the use of LIPF makes quenching corrections unnecessary. Results demonstrate that fuel and oxidizer are in a rich, premixed, and unignited condition in the center core of the lifted flame base. In the lifted zone, combustion occurs in an intermittent annular turbulent flame brush and strong finite-rate chemistry effects result in nonequilibrium values of temperature, major species, and OH radicals. Downstream in the slow three-body recombination zone, the major species concentrations are in partial equilibrium, the OH concentrations are in superequilibrium, and the temperatures are in subequilibrium. Far downstream in the flame, equilibrium values of temperature, OH radical, and major species are found.

Cheng, T. S.↗

NASA NTRS1992

Interstellar cloud shapes - A minimum-hypothesis account involving a purely gravitational effect

The effect produced by the anisotropic gravitational field on the shape of a nonspherical, self-gravitating interstellar cloud is examined. The projected axial ratios observed for molecular clouds can be accounted for if clouds are not generally in a state of strict dynamical equilibrium. For clouds having spectral line widths dominated by supersonic turbulent motions, this purely gravitational effect predicts a mean true axial ratio q about 0.3 for both oblate and prolate cloud geometries. Clouds having p less than about 0.3 are likely to be prolate and quite elongated. The observational data on molecular cloud cores, which have essentially thermal line widths, can be fitted equally well to either oblate or prolate spheroids having q between 0.1 and 0.4 with q about 0.2 providing the best match: highly elongated cores are again more likely to be prolate. While other processes certainly operate throughout the Galaxy to influence cloud shape, it appears plausible that at least some clouds may be shaped principally by their anisotropic gravitational field.

Fleck, Robert C., Jr.↗

NASA NTRS1993

Siderophile elements in the upper mantle of the Earth: New clues from metal-silicate partition coefficients

New, precise data on the solubilities of Ni, Co, and Mo in silicate melts at 1400 C and fO2 from IW to IW-2 are presented. The results suggest NiO, CoO as stable species in the melt. No evidence for metallic Ni or Co was found. Equilibrium was ensured by reversals with initially high Ni and Co in the glass. Mo appears to change oxidation state at IW-1, from MoO3 to MoO2. Metal-silicate partition coefficients calculated from these data and recent data on Pd indicate similar partition coefficients for Pd and Mo at the conditions of core formation. This unexpected result constrains models of core formation in the Earth.

Holzheid, A.↗

NASA NTRS1986

Pervasive small-scale structure in molecular clouds

An unbiased CO survey of molecular cloud cores was completed, and the profiles were analyzed within the context of a model for emission from clumpy clouds. It was found that all sources observed contain a significant amount of structure that is not resolved with our 2.3-arcmin beam, and that the parameters which describe the degree of clumping span a remarkably narrow range of the possible values. We studied two separate samples of cloud cores: a large sample of warm cores from the Massachusetts-Stony Brook 12CO survey of the first galactic quadrant, and a sample of cool cores in the Taurus dark clouds chosen primarily on the basis of H2CO emission. We observed all sources in the 1-0 transition of 12CO and 13CO with the 5-m telescope of the Millimeter Wave Observatory. The 12CO/13CO ratios can be explained if there is unresolved structure giving rise to significant variations of opacity across the beam. Our model cloud consists of a large number of identical clumps distributed randomly in the beam. These clumps have velocity widths v small compared to the width of the observed profile, which is determined by the relative motion of the clumps. The entire cloud is isothermal and in local thermodynamic equilibrium. With these assumptions the intensity and linewidth ratios depend on three parameters: the abundance ratio; the peak 13CO opacity through a single clump, tau(0); and the average number of clumps on a line of sight N. Small tau(0) and large N correspond to the microturbulent limit, which is indistinguishable from a uniform gas distribution. In the other extreme, large tau(0) and snall N, at a given velocity at most one clump contributes to the profile on each line of sight. A figure is presented which shows the model parameters which reproduce the measured intensity and linewidth ratios for the sample of warm cores, assuming an abundance ratio of 75.

Martin, B.↗

NASA NTRS1976

Similarity solution of the boundary-layer equations for laser heated flows

The laminar boundary-layer equations with local similarity approximation are solved in order to estimate the heat transfer rate to the wall in a laser-heated rocket thruster using pure hydrogen, where the average temperature of the hot plasma core is about 14,000 K and the core Reynolds number based on nozzle throat diameter is about 2000. Under these conditions, the density-viscosity product at the wall can be 10 times the freestream value, and the hydrogen is completely dissociated. Hence the boundary layer equations with variable transport properties are solved by a quasi-linearization technique, and the equilibrium properties of hydrogen are used in the calculations. Velocity profiles are obtained, and the wall shear and wall stagnation enthalpy gradient are plotted against the pressure gradient parameter.

Wu, P. K.↗

NASA NTRS2012

The Outer Limits of Galaxy Clusters: Observations to the Virial Radius with Suzaku, XMM,and Chandra

The outskirts of galaxy clusters, near the virial radius, remain relatively unexplored territory and yet are vital to our understanding of cluster growth, structure, and mass. In this presentation, we show the first results from a program to constrain the sate of the outer intra-cluster medium (ICM) in a large sample of galaxy clusters, exploiting the strengths of three complementary X-ray observatories: Suzaku (low, stable background), XMM-Newton (high sensitivity),and Chandra (good spatial resolution). By carefully combining observations from the cluster core to beyond r200, we are able to identify and reduce systematic uncertainties that would impede our spatial and spectral analysis using a single telescope. Our sample comprises nine clusters at z is approximately 0.1-0.2 fully covered in azimuth to beyond r200, and our analysis indicates that the ICM is not in hydrostatic equilibrium in the cluster outskirts, where we see clear azimuthal variations in temperature and surface brightness. In one of the clusters, we are able to measure the diffuse X-ray emission well beyond r200, and we find that the entropy profile and the gas fraction are consistent with expectations from theory and numerical simulations. These results stand in contrast to recent studies which point to gas clumping in the outskirts; the extent to which differences of cluster environment or instrumental effects factor in this difference remains unclear. From a broader perspective, this project will produce a sizeable fiducial data set for detailed comparison with high-resolution numerical simulations.

Miller, Eric D.↗

NASA NTRSDate not supplied

Metal-silicate Partitioning of Re, Ru, Pt, Os, Ti, Nb, and Ta in Reduced Differentiated Planetary Bodies

Siderophile (iron-loving) elements are strongly fractionated during differentiation of planetary bodies into core and mantle [1]. Because the fractionation is controlled by the pressure, temperature, redox conditions, and composition, this group of elements can provide important constraints on the conditions of accretion and core formation in early solar system bodies (planetesimals) and planets (Earth, Mercury, Venus)[2]. At the reducing conditions thought to prevail in the early solar system, Si is known to alloy with FeNi metallic liquids (e.g., [3]) affecting the activity coefficients of siderophile elements in FeNi liquids and thus ultimately their detailed partitioning between metal and silicate melt. The effect of Si can be significant for some siderophile elements, as demonstrated previously by (e.g., [4]: Ni, Co; [5,6]: Ge, As, Sb, Pd, Pt, Au). The effect of Si has not yet been determined for several key groups of siderophile elements including the highly siderophile Re, Ru and Os, and the weakly siderophile Ta, Nb, and Ti. Here, we report new experiments designed to quantify the effect of Si on the partitioning of Re, Pt, Os, Ru, Ti, Ta and Nb between metal and silicate melts. The results will be used to evaluate metal/silicate equilibrium for Nb, Ta, Ti and Nb/Ta ratios in planetary mantles, mantle concentrations of Ru, Re, Pt, Os during accretion, the evolution of Re/Os, Pt/Os ratios in magma oceans, and the role of late veneer in establishing Re and Ru abundances in the terrestrial mantle.

core formation↗

NASA NTRS2011

Understanding Coronal Heating with Emission Measure Distributions

It is widely believed that the cross-field spatial scale of coronal heating is small, so that the fundamental plasma structures (loop strands) are spatially unresolved. We therefore must appeal to diagnostic techniques that are not strongly affected by spatial averaging. One valuable observable is the emission measure distribution, EM(T), which indicates how much material is present at each temperature. Using data from the Extreme-ultraviolet Imaging Spectrograph on the Hinode mission, we have determined emission measure distributions in the cores of two active regions. The distributions have power law slopes of approximately 2.4 coolward of the peak. We compare these slopes, as well as the amount of emission measure at very high temperature, with the predictions of a series of models. The models assume impulsive heating (nanoflares) in unresolved strands and take full account of non equilibrium ionization. A variety of nanoflare properties and initial conditions are considered. We also comment on the selection of spectral lines for upcoming missions like Solar Orbiter.

Klimchik, James A.↗

NASA NTRS2018

Temperature Structure in the Perseus Cluster Core Observed with Hitomi

The present paper investigates the temperature structure of the X-ray emitting plasma in the core of the Perseus cluster using the 1.8-20.0 keV data obtained with the Soft X-ray Spectrometer (SXS) onboard the Hitomi Observatory. A series of four observations were carried out, with a total effective exposure time of 338 ks and covering a central region _ 7′ in diameter. The SXS was operated with an energy resolution of _5 eV (full width at half maximum) at 5.9 keV. Not only fine structures of K-shell lines in He-like ions but also transitions from higher principal quantum numbers are clearly resolved from Si through Fe. This enables us to perform temperature diagnostics using the line ratios of Si, S, Ar, Ca, and Fe, and to provide the first direct measurement of the excitation temperature and ionization temperature in the Perseus cluster. The observed spectrum is roughly reproduced by a single temperature thermal plasma model in collisional ionization equilibrium, but detailed line ratio diagnostics reveal slight deviations from this approximation. In particular, the data exhibit an apparent trend of increasing ionization temperature with increasing atomic mass, as well as small differences between the ionization and excitation temperatures for Fe, the only element for which both temperatures can be measured. The best-fit two-temperature models suggest a combination of 3 and 5 keV gas, which is consistent with the idea that the observed small deviations from a single temperature approximation are due to the effects of projection of the known radial temperature gradient in the cluster core along the line of sight. Comparison with the Chandra/ACIS and the XMM-Newton/RGS results on the other hand suggests that additional lower-temperature components

Aharonian, Felix↗