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At least 559 records · Page 31

Ar(+) in the terrestrial ionosphere

The Ar(+) densities in the terrestrial ionosphere are computed for both low and high solar activity models. The reaction N2(+)(v greater than 0) + Ar yields N2 + Ar(+) is found to be a significant source of Ar(+) nearly equal to photoionization and electron impact ionization in the high solar activity model. Peak densities of Ar(+) of 11 per cu cm near 190 km and 22 per cu cm near 220 km are predicted for the low and high solar activity models. It is suggested that a simultaneous measurement of Ar(+) and Ar densities would provide a test for the presence of vibrationally excited N2(+) in the terrestrial ionosphere.

Fox, J. L.↗

Estimating the performance of lithium beam measurements of current density and electron density in an H-mode pedestal

The lithium beam is an effective diagnostic tool for investigation of stability and particle transport in the pedestal. It was used successfully to measure edge current density on DIII-D, achieving qualitative agreement with neoclassical models. Electron density profiles were also measured. Proposed upgrades will continue these measurements with higher reliability as well as explore edge current measurements using spectroscopy. The optics will be redesigned to optimize throughput and aperture broadening and to replace the photomultiplier tubes with avalanche photodiodes. Here, the new system will yield detailed measurements of the pedestal, complementing existing diagnostics for investigating pedestal stability, edge localized mode cycle, and particle transport through the pedestal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accelerating Multiscale Materials Modeling with Machine Learning

The focus of this project is to accelerate and transform the workflow of multiscale materials modeling by developing an integrated toolchain seamlessly combining DFT, SNAP, LAMMPS, (shown in Figure 1-1) and a machine-learning (ML) model that will more efficiently extract information from a smaller set of first-principles calculations. Our ML model enables us to accelerate first-principles data generation by interpolating existing high fidelity data, and extend the simulation scale by extrapolating high fidelity data (10 2 atoms) to the mesoscale (10 4 atoms). It encodes the underlying physics of atomic interactions on the microscopic scale by adapting a variety of ML techniques such as deep neural networks (DNNs), and graph neural networks (GNNs). We developed a new surrogate model for density functional theory using deep neural networks. The developed ML surrogate is demonstrated in a workflow to generate accurate band energies, total energies, and density of the 298K and 933K Aluminum systems. Furthermore, the models can be used to predict the quantities of interest for systems with more number of atoms than the training data set. We have demonstrated that the ML model can be used to compute the quantities of interest for systems with 100,000 Al atoms. When compared with 2000 Al system the new surrogate model is as accurate as DFT, but three orders of magnitude faster. We also explored optimal experimental design techniques to choose the training data and novel Graph Neural Networks to train on smaller data sets. These are promising methods that need to be explored in the future.

36 MATERIALS SCIENCE↗

Star formation rates and abundance gradients in disk galaxies

Analytic models for the evolution of disk galaxies are presented, placing special emphasis on the radial properties. These models are straightforward extensions of the original Schmidt (1959, 1963) models, with a dependence of star formation rate on gas density. The models provide successful descriptions of several measures of galactic disk evolution, including solar neighborhood chemical evolution, the presence and amplitude of metallicity and color gradients in disk galaxies, and the global rates of star formation in disk galaxies, and aid in the understanding of the apparent connection between young and old stellar populations in spiral galaxies.

Wyse, Rosemary F. G.↗

Solar Powered Flight on Venus

Solar powered flight within the Venus environment from the surface to the upper atmosphere was evaluated. The objective was to see if a station-keeping mission was possible within this environment based on a solar power generating system. Due to the slow rotation rate of Venus it would be possible to remain within the day light side of the planet for extended periods of time. However the high wind speeds and thick cloud cover make a station-keeping solar powered mission challenging. The environment of Venus was modeled as a function of altitude from the surface. This modeling included density, temperature, solar attenuation and wind speed. Using this environmental model flight with both airships and aircraft was considered to evaluate whether a station-keeping mission is feasible. The solar power system and flight characteristics of both types of vehicles was modeled and power balance was set up to determine if the power available from the solar array was sufficient to provide enough thrust to maintain station over a fixed ground location.

Colozza, Anthony↗

The abundances of ethane and acetylene in the atmospheres of Jupiter and Saturn

The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.

Noll, K. S.↗

The abundances of ethane to acetylene in the atmospheres of Jupiter and Saturn

The present determination of the stratospheric abundances of ethane and acetylene on Jupiter and Saturn on the basis of IR spectra near 780/cm uses atmospheric models whose thermal and density profiles have constant mixing ratios. The ratio of ethane to acetylene is noted to be insensitive to model atmosphere assumptions; it is 55 + or - 31 for Jupiter and 23 + or - 12 where model mixing ratios are uniform. Atmospheric model density profiles adapted from theoretical photochemical models are noted to also yield a higher ethane/acetylene ratios for Jupiter.

Noll, K. S.↗

The behavior of the electron density and temperatue at Millstone Hill during the equinox transition study September 1984

The ionospheric electron density and temperature variations is simulated during the equinox transition study in September 1984 and the results are compared with measurements made at Millstone Hill. The agreement between the modeled and measured electron density and temperature for the quiet day (18 September) is very good but there are large differences on the day of the storm (19 September). On the storm day, the measured electron density decreases by a factor of 1.7 over the previous day, while the model density actually increases slightly. The model failure is attributed to an inadequate increase in the ratio of atomic oxygen to molecular neutral densities in the MSIS neutral atmosphere model, for this particular storm. A factor of 3 to 5 increase in the molecular to atomic oxygen density ratio at 300 km is needed to explain the observed decrease in electron density. The effect of vibrationally excited N sub 2 on the electron density were studied and found to be small.

Richards, P. G.↗

The behavior of the electron density and temperature at Millstone Hill during the equinox transition study September 1984

The ionospheric electron density and temperature variations is simulated during the equinox transition study in September 1984 and the results are compared with measurements made at Millstone Hill. The agreement between the modeled and measured electron density and temperature for the quiet day (18 September) is very good but there are large differences on the day of the storm (19 September). On the storm day, the measured electron density decreases by a factor of 1.7 over the previous day, while the model density actually increases slightly. The model failure is attributed to an inadequate increase in the ratio of atomic oxygen to molecular neutral densities in the MSIS neutral atmosphere model, for this particular storm. A factor of 3 to 5 increase in the molecular to atomic oxygen density ratio at 300 km is needed to explain the observed decrease in electron density. The effect of vibrationally excited N sub 2 on the electron density were studied and found to be small.

Richards, P. G.↗

Comparison of the USU ionospheric model with the UCL-Sheffield coupled thermospheric-ionospheric model

Several physical models of the high-latitude ionosphere have been developed that describe the time-dependent evolution of the E- and F-region plasma density. The models require a variety of inputs, including solar EUV fluxes, magnetospheric convection, auroral precipitation, and neutral atmosphere. Of specific relevance to this study is how the neutral atmosphere is incorporated into the ionospheric models. For the USU ionospheric model, the neutral atmosphere is the MSIS 1986 empirical model, while for the UCL-Sheffield coupled thermospheric-ionospheric model the neutral atmosphere is computed simultaneously with the ionosphere. Both models were run for similar solar and magnetospheric conditions (solar maximum, moderate geomagnetic activity, and winter solstice). Solar maximum conditions ensured a strong coupling between the ionosphere and thermosphere, which provided the possibility of a large ionospheric difference between the two physical models. This was further enhanced by choosing winter conditions so that the densities were not dominated by sunlight. The comparison of the two models indicated that both models predict the same morphological features with similar ionospheric densities, generally within about 30 percent.

Sojka, J. J.↗

Oxygen evolution from olivine Mn 1– x M x PO 4 ( M =Fe,Ni,Al,Mg) delithiated cathode materials

Olivine LiMnPO 4 is a promising cathode material for Li-ion batteries. One drawback of this material is the propensity of its delithiated phase, MnPO 4 , to evolve oxygen gas above approximately 200 °C. During thermal runaway of cells, this oxygen gas can burn the electrolyte and other cell components and thereby jeopardize safety. Partial substitution of Mn with M = Fe, Ni, Al, or Mg has been used to improve the lithium intercalation kinetics of Li x MnPO 4 ; however, the effect of these substitutions on oxygen evolution is not fully documented. In this paper, we calculate phase diagrams and oxygen evolution diagrams for these Mn 1–x M x PO 4 delithiated cathode materials. To generate the phase diagrams, we use subregular solid-solution models and fit the energetic parameters of these models to density functional theory calculations of special quasirandom structures. The resulting thermodynamic models describe the effect of mixing on the initial temperature of oxygen evolution and on the cumulative amount of oxygen evolution at elevated temperatures. We find that addition of Fe increases the initial temperature and decreases the cumulative amount of oxygen evolution. Mn 0.5 Fe 0.5 PO 4 exhibits an initial temperature 50 °C higher than MnPO 4 and releases 70% less oxygen gas at 300 °C. Al is insoluble in MnPO 4 , so addition of Al has no affect on the initial temperature. However, Al addition does slightly decrease the amount of oxygen evolution due to an inactive AlPO 4 component. Mg and Ni both decrease the initial temperature of oxygen evolution, and therefore may worsen the safety of MnPO 4 .

25 ENERGY STORAGE↗

Redshift space clustering of galaxies and cold dark matter model

The distorting effect of peculiar velocities on the power speturm and correlation function of IRAS and optical galaxies is studied. The observed redshift space power spectra and correlation functions of IRAS and optical the galaxies over the entire range of scales are directly compared with the corresponding redshift space distributions using large-scale computer simulations of cold dark matter (CDM) models in order to study the distortion effect of peculiar velocities on the power spectrum and correlation function of the galaxies. It is found that the observed power spectrum of IRAS and optical galaxies is consistent with the spectrum of an Omega = 1 CDM model. The problems that such a model currently faces may be related more to the high value of Omega in the model than to the shape of the spectrum. A low-density CDM model is also investigated and found to be consistent with the data.

Bahcall, Neta A.↗

Optimization and supervised machine learning methods for fitting numerical physics models without derivatives

Here, we address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based training algorithms when dozens, rather than millions or more, of training data are available and when the expense of the model places limitations on the number of concurrent model evaluations that can be performed. As a case study, we consider the Fayans energy density functional model, which has characteristics similar to many model fitting and calibration problems in nuclear physics. We analyze hyperparameter tuning considerations and variability associated with stochastic optimization algorithms and illustrate considerations for tuning in different computational settings.

97 MATHEMATICS AND COMPUTING↗

Temperature, density, and composition in the disturbed thermosphere from Esro 4 gas analyzer measurements - A global model

An analysis of density measurements of Ar, N2, O, and He made at 280 km with the gas analyzer aboard the polar-orbiting satellite Esro 4 has yielded a global model of the variations in temperature, density, and composition that occur in the disturbed thermosphere. In the model the increase of temperature over quiet conditions is a nonlinear function of the planetary geomagnetic index, its latitude profile being approximated by a fourth-power sin phi law, where phi is the 'invariant' magnetic latitude. A density wave proceeding from high latitudes is approximated by a fourth power cos phi law. A strong nonlinearity in the relation between the temperature variations and the variations in the height of the homopause explains a previously found behavioral difference in the variation of atomic oxygen during magnetic storms and during periods of sustained geomagnetic activity.

Jacchia, L. G.↗

A comparison of two algorithms for simulating collisionless systems

Two completely different simulation algorithms are compared by applying them to the same stellar dynamical problems: one is a self-consistent field (SCF) method for solving Poisson's equation and the other is a phase-space method for integrating the collisionless Boltzmann equation. We consider simulations of spherical stellar systems which are initially far from equilibrium and relax to their final states by gravitational collapse. The initial conditions consist of either uniform-density spheres or nonequilibrium models having Plummer density profiles, in which velocity dispersions are assigned according to given virial ratios. If a few tens of radial expansion terms with hundreds of thousands of particles are used in the SCF code, excellent agreement is found between the results it generates and those obtained with the phase-space solver, provided that a sufficiently large number of grid cells are employed with the latter. These findings imply that for simulating collisionless systmes over many dynamical times, the SCF approach based on sampling phase space is competitive with the approach treating phase space as a continuous fluid. The results of our tests make it possible to estimate the number of particles and basis functions required in situations like those modeled. Limitations of the SCF method and the choice of an optimal set of basis functions are also discussed.

Hozumi, Shunsuke↗

Analytical Modeling and Test Correlation of Variable Density Multilayer Insulation for Cryogenic Storage

A unique foam/multilayer insulation (MLI) combination concept for orbital cryogenic storage was experimentally evaluated using a large-scale hydrogen tank. The foam substrate insulates for ground-hold periods and enables a gaseous nitrogen purge as opposed to helium. The MLI, designed for an on-orbit storage period for 45 days, includes several unique features including a variable layer density and larger but fewer perforations for venting during ascent to orbit. Test results with liquid hydrogen indicated that the MLI weight or tank heat leak is reduced by about half in comparison with standard MLI. The focus of this effort is on analytical modeling of the variable density MLI (VD-MLI) on-orbit performance. The foam/VD-MLI model is considered to have five segments. The first segment represents the optional foam layer. The second, third, and fourth segments represent three different MLI layer densities. The last segment is an environmental boundary or shroud that surrounds the last MLI layer. Two approaches are considered: a variable density MLI modeled layer by layer and a semiempirical model or "modified Lockheed equation." Results from the two models were very comparable and were within 5-8 percent of the measured data at the 300 K boundary condition.

Hastings, L. J.↗