Interatomic potentials and x-ray-diffraction intensities for liquid xenon.
Radial distribution function of xenon calculated from interatomic potentials and X-ray diffraction intensities
DISTRIBUTION FUNCTION↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Reinvestigation of the structures of ethanol and methanol at room temperature.
Radial distribution functions for liquid methanol and ethanol at room temperature, observing intermolecular hydrogen bonding
DISTRIBUTION FUNCTION↗
Microwave emission from a sunspot. I - Implications for the sunspot magnetic structure
The magnetic field strength of a sunspot can be determined from the gyroresonance brightness temperature spectrum by using the property that microwave brightness is limited above a frequency given by an integer-multiple of the gyrofrequency. This concept is used to find the radial distribution of the magnetic field at the coronal base of a sunspot in the active region NOAA 4741. It is shown that the o-mode emission must arise primarily from the second harmonic of the gyrofrequency, and that the third harmonic is responsible for the x-mode emission. An expression is given to describe the radial distribution of magnetic fields at the coronal base of a sunspot. Coronal magnetic fields are found to originate mainly in the photospheric umbral region. Finally, while it is possible to approximate roughly the derived vertical variation of magnetic fields by means of a dipole model, the radial field distribution at coronal heights is determined to be more confined than predicted by this model.
Lee, Jeongwoo W.↗
The galactic halo question: New size constraints from galactic gamma-ray data
The SAS-2 gamma-ray data is analyzed making use of recent CO line emission and other data for determining the large-scale distribution of galactic gas. A nonuniform distribution of cosmic rays in the galaxy is implied. This fact rules out large trapping halo models and extragalactic origin models. Detailed models of diffusion halos of various sizes perpendicular to the galactic plane are considered. In such models, the scale perpendicular to the plane has a strong effect in determining the radial distribution of cosmic rays. Such radial distributions are calculated for cylindrical coordinate models. The implied gamma-ray longitude distributions are then calculated and compared with the SAS-2 data for goodness-of-fit. Assuming the sources to be supernova remnants or pulsars, cosmic ray nucleon halo models with scale heights greater than 3 kpc are found to provide a poor fit to the gamma-ray longitude data (probability of 6% or less). Thin halo, or source dominated diffusion models are found to provide a good fit to the gamma-ray data, with an upper limit scale height of approximately 3 kpc.
Stecker, F. W.↗
Stochastic density functional theory combined with Langevin dynamics for warm dense matter
Here, this study overviews and extends a recently developed stochastic finite-temperature Kohn-Sham density functional theory to study warm dense matter using Langevin dynamics, specifically under periodic boundary conditions. The method's algorithmic complexity exhibits nearly linear scaling with system size and is inversely proportional to the temperature. Additionally, a linear-scaling stochastic approach is introduced to assess the Kubo-Greenwood conductivity, demonstrating exceptional stability for dc conductivity. Utilizing the developed tools, we investigate the equation of state, radial distribution, and electronic conductivity of hydrogen at a temperature of 30 000 K. As for the radial distribution functions, we reveal a transition of hydrogen from gaslike to liquidlike behavior as its density exceeds 4 g/cm 3 . As for the electronic conductivity as a function of the density, we identified a remarkable isosbestic point at frequencies around 7 eV, which may be an additional signature of a gas-liquid transition in hydrogen at 30 000 K.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
WFPC2 observations of the globular cluster M30
We describe images of the center of the dense globular cluster M30 (NGC 7099) obtained with the Hubble Space Telescope Wide Field/Planetary Camera 2 (HST WFPC2). Data taken in the F336W, F439W, and F555W filters (approximately U, B, and V) yield a color-magnitude diagram with photometric errors of 1 sigma = 0.05 mag for stars with V less than 17.5, and 1 sigma approximately 0.1 mag at V = 20, which is 1.5 mag fainter than the main-sequence turnoff. Simulations show that the star identifications are essentially complete for stars with V less than 19.5, even in the densest regions of the cluster. The projected radial distribution of stars can be represented by a power law distribution: N(r) approximately r(exp alpha), with slope alpha = -0.4 +/- 0.15, into radii less than 0.4 sec (0.015 pc). The radial profile is also consistent with a flat core of any radius smaller than approximately 1.5 sec (0.05 pc), but inconsistent with any core radius larger than 2.5 sec (0.09 pc). A total of 30 blue straggler candidates within 20 sec of the cluster center have been identified from the three-color data. Their radial distribution is strongly centrally concentrated when compared to the horizontal branch, red giant branch, or main-sequence stars in the cluster. The abundance of blue stragglers (relative to red giants and subgiants) within r approximately less than 20 sec of the center of M30 is f(sub BS) = 0.19 =/- 0.04, about twice as high as in other dense clusters.
Yanny, Brian↗
Phobos, Deimos, and the moon - Size and distribution of crater ejecta blocks
Ejecta block characteristics observed on Phobos, Deimos, and the moon are examined. The analyzed source craters on Deimos are 0.8-2.3 km in diameter, those on Phobos are 1.5-10 km, and the lunar craters are between 0.2-3.5 km in diameter. The size and radial distribution of the ejecta blocks for the three bodies are compared. It is observed that the size distribution of the ejecta blocks surrounding craters on the three objects are basically similar, and the radial distribution of the blocks for Phobos and the moon are the same (within 2 radii of the crater center); however, the ejecta on Deimos are more dispersed (greater than or equal to 2 radii from the crater center).
Lee, S. W.↗
Carbon distribution profiles in lunar fines
Radial distribution profiles of elemental carbon in lunar soils consisting of particles in the size range of 50 to 150 microns were investigated. Initial experiments on specimen preparation and the analysis of prepared specimens by Auger electron spectrometry (AES) and scanning electron microscopy (SEM) are described. Results from splits of samples 61501,84 and 64421,11, which were mounted various ways in several specimen holders, are presented. A low carbon content was observed in AES spectra from soil particles that were subjected to sputter-ion cleaning with 960eV argon ions for periods of time up to a total exposure for one hour. This ion charge was sufficient to remove approximately 70 nm of material from the surface. All of the physically adsorbed carbon (as well as water vapor, etc.) would normally be removed in the first few minutes, leaving only carbon in the specimen, and metal support structure, to be detected thereafter.
Hart, R. K.↗
A scaling law of radial gas distribution in disk galaxies
Based on the idea that local conditions within a galactic disk largely determine the region's evolution time scale, researchers built a theoretical model to take into account molecular cloud and star formations in the disk evolution process. Despite some variations that may be caused by spiral arms and central bulge masses, they found that many late-type galaxies show consistency with the model in their radial atomic and molecular gas profiles. In particular, researchers propose that a scaling law be used to generalize the gas distribution characteristics. This scaling law may be useful in helping to understand the observed gas contents in many galaxies. Their model assumes an exponential mass distribution with disk radius. Most of the mass are in atomic gas state at the beginning of the evolution. Molecular clouds form through a modified Schmidt Law which takes into account gravitational instabilities in a possible three-phase structure of diffuse interstellar medium (McKee and Ostriker, 1977; Balbus and Cowie, 1985); whereas star formation proceeds presumably unaffected by the environmental conditions outside of molecular clouds (Young, 1987). In such a model both atomic and molecular gas profiles in a typical galactic disk (as a result of the evolution) can be fitted simultaneously by adjusting the efficiency constants. Galaxies of different sizes and masses, on the other hand, can be compared with the model by simply scaling their characteristic length scales and shifting their radial ranges to match the assumed disk total mass profile sigma tot(r).
Wang, Zhong↗
MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations
We introduce the MixPI software to implement path integral molecular dynamics (PIMD) simulations for the study of condensed phase systems where nuclear quantum effects (NQEs) are important. In contrast to existing PIMD simulation software, MixPI enables the implementation of mixed quantum–classical path integral simulations where only a subset of system degrees of freedom (dofs) are treated quantum mechanically in an extended phase space while the remaining dofs are described classically. We expect this software to be particularly useful for simulations of electron and proton transfer in condensed phase systems, as well as for the study of biological and material systems where only a handful of dofs contribute significantly to the observed NQEs. We demonstrate the use of MixPI in two different systems. The first is a simple water model where we implement a set of mixed quantum–classical simulations to compute average energy and radial distribution functions. We use these simulations to benchmark the effectiveness of MixPI and to demonstrate how it enables systematic investigation into the origin of observed NQEs. We then compute radial distribution functions for a system where MixPI is essential: a solvated metal (M 2+ ) cation described using an explicit quantized electron localized on an M 3+ ion in water.
chemical physics↗
Equilibrium properties of a one-dimensional kinetic system.
One-dimensional systems of N = 500 and 250 particles in equilibrium are numerically simulated utilizing the method of molecular dynamics. Periodic boundary conditions are imposed. The classical two-body interaction potential is short range, repulsive and has a corresponding finite force. The equations of state are determined for densities both less and greater than one. Corresponding theoretical isochores are determined from models based on nearest-neighbor interactions and on a truncated virial expansion, and a comparison is made with the experimental isochores. Time independent radial distributions are constructed numerically and discussed. A change of state from a solidlike state to a fluid-gas state based on the penetrability of the particles is predicted. The transition temperatures are estimated from the radial distribution functions and the nearest-neighbor model. Self-diffusion is observed and the corresponding constants are determined from the velocity autocorrelation functions.
Williams, J. H.↗
The infrared structure of M33
IRAS spatial observations of M33 are presented and compared to UV optical, and radio wavelength data. At 12, 25, 60, and 100 microns the emission appears as two bright spiral arms superposed on a diffuse disk, with localized sources at the position of the nucleus and the brightest H II region complexes. The global IR properties of M33 are characteristic of quiescent spirals. The 8-30 micron mid-IR global emission is about 20 percent of the far-IR emission, similar to the ratio of these fluxes found for the local ISM. The local IR excess of M33 is about 2-3 times larger than the excess derived for H II regions in the Galaxy. The radial distributions of the IR colors are flat or nearly flat, implying near-constant dust temperatures across the diffuse disk. The integrated F(IR)-to-radio continuum emission of M33 follows the relation seen in other galaxies, but the radial distribution of the two emission components differ. A striking correlation is seen between the IR emission structure and the distribution of H II regions.
Rice, W.↗
Measurements of the Early Development of Trailing Vorticity from a Rotor
The wake behind a two-bladed model rotor in light climb was measured using particle image velocimetry, with particular emphasis on the development of the trailing vortex during the first revolution of the rotor. The distribution of vorticity was distinguished from the slightly elliptical swirl pattern. Peculiar dynamics within the "void" region may explain why the peak vorticity appeared to shift away from the center as the vortex aged, suggesting the onset of instability. The swirl and axial velocities (which reached 44% and 12% of the rotor tip speed, respectively) were found to be asymmetric relative to the vortex center. In particular, the axial flow was composed of two concentrated zones moving in opposite directions. The radial distribution of the circulation rapidly increased in magnitude until reaching a point just beyond the core radius, after which the rate of growth decreased significantly. The core-radius circulation increased slightly with wake age, but the large-radius circulation appeared to remain relatively constant. The radial distributions of swirl velocity and vorticity exhibit self-similar behaviors, especially within the core. The diameter of the vortex core was initially about 10% of the rotor-blade chord, but more than doubled its size after one revolution of the rotor.
McAlister, Kenneth W.↗
Rotor Wake Development During the First Revolution
The wake behind a two-bladed model rotor in light climb was measured using particle image velocimetry, with particular emphasis on the development of the trailing vortex during the first revolution of the rotor. The distribution of vorticity was distinguished from the slightly elliptical swirl pattern. Peculiar dynamics within the void region may explain why the peak vorticity appeared to shift away from the center as the vortex aged, suggesting the onset of instability. The swirl and axial velocities (which reached 44 and 12 percent of the rotor-tip speed, respectively) were found to be asymmetric relative to the vortex center. In particular, the axial flow was composed of two concentrated zones moving in opposite directions. The radial distribution of the circulation rapidly increased in magnitude until reaching a point just beyond the core radius, after which the rate of growth decreased significantly. The core-radius circulation increased slightly with wake age, but the large-radius circulation appeared to remain relatively constant. The radial distributions of swirl velocity and vorticity exhibit self-similar behaviors, especially within the core. The diameter of the vortex core was initially about 10 percent of the rotor-blade chord, but more than doubled its size after one revolution of the rotor. According to vortex models that approximate the measured data, the core-radius circulation was about 79 percent of the large-radius circulation, and the large-radius circulation was about 67 percent of the maximum bound circulation on the rotor blade. On average, about 53 percent of the maximum bound circulation resides within the vortex core during the first revolution of the rotor.
McAlister, Kenneth W.↗
Physics-Informed Gaussian Process Inference of Liquid Structure from Scattering Data
We present a nonparametric Bayesian framework to infer radial distribution functions from experimental scattering measurements with uncertainty quantification using nonstationary Gaussian processes. The Gaussian process prior mean and kernel functions are designed to mitigate well-known numerical challenges with the Fourier transform, including discrete measurement binning and detector windowing, while encoding fundamental yet minimal physical knowledge of the liquid structure. We demonstrate uncertainty propagation of the Gaussian process posterior to unmeasured quantities of interest. Experimental radial distribution functions of liquid argon and water with uncertainty quantification are provided as both a proof of principle for the method and a benchmark for molecular models.
Chemical structure↗
The origin of the galactic emission in IRAS data
Using the high resolution IRAS data and the radial distribution of gaseous material and those of the interstellar radiation field (ISRF), a model of the Galactic infrared emission was built. The first step consisted of a separation of the diffuse emission in IRAS data from that of the well-defined strong Galactic sources. A well accepted idea is that IR emission comes from dust heated either by the ISRF and/or by internal cloud heating sources. Thus the IR galactic emission was modelled from radial distributions of gas and ISRF and the following three main hypothesis: (1) the dust-to-gas ration is the same in the whole Galaxy; (2) IR emission is proportional to local dust density; and (3) IR emission is also proportional to the local ISRF. The IR emission as modelled was integrated over each line of sight and compared with observed IRAS data. The results show that the IR diffuse component comes from dust associated with H1 and heated by the general ISRF. For the dust embedded in cold H2 component, the heating source is also the general ISRF while the warm component is explained by dust embedded in molecular clouds and heated by high-mass stars born in the close vicinity of the clouds and by disc population ISRF.
Caux, Emanuel↗
Three-dimensional inviscid analysis of radial turbine flow and a limited comparison with experimental data
The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.
Choo, Y. K.↗
Three-dimensional inviscid analysis of radial-turbine flow and a limited comparison with experimental data
The three-dimensional inviscid DENTON code is used to analyze flow through a radial-inflow turbine rotor. Experimental data from the rotor are compared with analytical results obtained by using the code. The experimental data available for comparison are the radial distributions of circumferentially averaged values of absolute flow angle and total pressure downstream of the rotor exit. The computed rotor-exit flow angles are generally underturned relative to the experimental values, which reflect the boundary-layer separation at the trailing edge and the development of wakes downstream of the rotor. The experimental rotor is designed for a higher-than-optimum work factor of 1.126 resulting in a nonoptimum positive incidence and causing a region of rapid flow adjustment and large velocity gradients. For this experimental rotor, the computed radial distribution of rotor-exit to turbine-inlet total pressure ratios are underpredicted due to the errors in the finite-difference approximations in the regions of rapid flow adjustment, and due to using the relatively coarser grids in the middle of the blade region where the flow passage is highly three-dimensional. Additional results obtained from the three-dimensional inviscid computation are also presented, but without comparison due to the lack of experimental data. These include quasi-secondary velocity vectors on cross-channel surfaces, velocity components on the meridional and blade-to-blade surfaces, and blade surface loading diagrams. Computed results show the evolution of a passage vortex and large streamline deviations from the computational streamwise grid lines. Experience gained from applying the code to a radial turbine geometry is also discussed.
Choo, Y. K.↗