RELATION BETWEEN THEORETICAL AND OBSERVATIONAL MODELS OF THE UPPER ATMOSPHERE
Solar cycle variations of upper atmospheric properties, comparing air density observations with theoretical models
UPPER ATMOSPHERE↗
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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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Properties of planetary fluids at high pressures and temperatures
Observational data obtained by the Voyager space probes to the giant planets Jupiter, Saturn, Uranus, and Neptune have provided valuable information, which is used to refine the picture of the nature of the interiors of these planets. Major results from the Voyager missions include observations of substantial magnetic fields and improved models of internal density distributions. The goal is to obtain equations of state and electrical conductivity data for planetary gases (H2 and He) and the ices (H2O, CH4, and NH3, and their mixtures), which are considered to be the major constituents of the giant planets. These data are needed to test theoretical data bases used to construct models of the chemical composition of planetary interiors, models which are consistent with observables such as mass, diameter, gravitational moments, rotation rate, and magnetic field. The 100 GPa (1 Mbar) pressures and several 1000 K temperatures in the giant planets can be achieved in the lab by the shock compression of liquid specimens. Results are briefly examined.
Nellis, W. J.↗
Effect of Particle Spreading Dynamics on Powder Bed Quality in Metal Additive Manufacturing
Powder spreading precedes creation of every new layer in powder bed additive manufacturing (AM). The powder spreading process can lead to powder layer defects such as porosity, poor surface roughness and particle segregation. Therefore, the creation of homogeneous layers is the first task for optimal part printing. Discrete element methods (DEM) powder spreading simulations are typically limited to a single layer and/or small number of particles. Therefore, results from such model configurations may not be generalized to multiple layer processes. In this study, a computationally efficient multi-layer powder spreading DEM simulation model is proposed. The model is calibrated experimentally using static Angle of Repose measurements. The adhesion model parameter, cohesive energy density is related to adhesive surface energy and strain energy release rate parameters. The model results show that interaction between particle and the powder spreading rake leads to noticeable variation in packing density, surface roughness, dynamic angle of repose (AOR), particle size distribution, and particle segregation. Finally, the powder model is experimentally validated using a recoater spreading rig to measure the dynamic AOR at spreading speeds consistent with recoating speeds and layer heights used in AM processes.
36 MATERIALS SCIENCE↗
Ionoshperic effects of the March 1990 magnetic storm: Comparison of theory and measurement
This paper presents a comparison of the measured and modeled ionospheric response to magnetic storms at Millstone Hill and Arecibo during March 16-23, 1990. Magnetic activity was low until midday Universal Time (UT) on day 18 when Kp reached 6, days 19 and 20 were quiet, but a large storm occurred around midnight UT on day 20 (Kp=7) ad it was a moderately disturbed (Kp=4) for the remainder of the study period. At Millstone Hill, the daytime peak density (Nm F2) showed only a modest 30% decrease in response to the first storm and recovered to prestorm values before the onset of the second storm. The model reproduces the daytime peak electron density well for this period. However, the severe storm on March 20 caused a factor of 4 deplection in electron density, while the model densities were not greatly affected. the inclusion of vibrationally excited nitrogen N2(sup *) in the model was unable to account for the observed large electron density depletions afterward March 20. The storm did not appear to affect the overall magnitude of the electron density at Arecibo very much, but did cause unusual wavelike structure in the peak density and peak height following the storm. The model reproduces the daytime Nm F2 very well for Arecibo, but after sunset the model densities decay too rapidly. This study indicates that successful modeling of severe ionospheric stroms will require better definition of the storm time inputs, especially of the neutral atmosphere.
Richards, P. G.↗
Density and pressure variability in the mesosphere and thermosphere
In an effort to isolate the essential physics of the mesosphere and the thermosphere, a steady one-dimensional density and pressure model has been developed in support of related NASA activities, i.e., projects such as the AOTV and the Space Station. The model incorporates a zeroth order basic state including both the three-dimensional wind field and its associated shear structure, etc. A first order wave field is also incorporated in period bands ranging from about one second to one day. Both basic state and perturbation quantities satsify the combined constraints of mass, linear momentum and energy conservation on the midlatitude beta plane. A numerical (iterative) technique is used to solve for the vertical wind which is coupled to the density and pressure fields. The temperature structure from 1 to 1000 km and the lower boundary conditions are specified using the U.S. Standard Atmosphere 1976. Vertical winds are initialized at the top of the Planetary Boundary Layer using Ekman pumping values over flat terrain. The model also allows for the generation of waves during the geostrophic adjustment process and incorporates wave nonlinearity effects.
Davis, T. M.↗
Photoionization Models for the Inner Gaseous Disks of Herbig Be Stars: Evidence against Magnetospheric Accretion?
We investigate the physical properties of the inner gaseous disks of three hot Herbig B2e stars, HD 76534, HD 114981, and HD 216629, by modeling CFHT-ESPaDOns spectra using non-LTE radiative transfer codes. We assume that the emission lines are produced in a circumstellar disk heated solely by photospheric radiation from the central star in order to test whether the optical and near-infrared emission lines can be reproduced without invoking magnetospheric accretion. The inner gaseous disk density was assumed to follow a simple power-law in the equatorial plane, and we searched for models that could reproduce observed lines of H i (H α and H β ), He i, Ca ii, and Fe ii. For the three stars, good matches were found for all emission line profiles individually; however, no density model based on a single power-law was able to reproduce all of the observed emission lines. Among the single power-law models, the one with the gas density varying as ∼10{sup −10}( R {sub *}/ R ){sup 3} g cm{sup −3} in the equatorial plane of a 25 R {sub *} (0.78 au) disk did the best overall job of representing the optical emission lines of the three stars. This model implies a mass for the H α -emitting portion of the inner gaseous disk of ∼10{sup −9} M {sub *}. We conclude that the optical emission line spectra of these HBe stars can be qualitatively reproduced by a ≈1 au, geometrically thin, circumstellar disk of negligible mass compared to the central star in Keplerian rotation and radiative equilibrium.
79 ASTRONOMY AND ASTROPHYSICS↗
Investigating the Role of Copper Oxide in Electrochemical CO 2 Reduction in Real Time
Copper oxides have been of considerable interest as electrocatalysts for CO 2 reduction (CO2R) in aqueous electrolytes. Yet, their role as an active catalyst in reducing the required overpotential and improving the selectivity of reaction compared with that of polycrystalline copper remains controversial. In this work, we present the use of selected-ion flow tube mass spectrometry, in concert with chronopotentiometry, in situ Raman spectroscopy, and computational modeling, to investigate CO2R on C u 2O nanoneedles, Cu 2 O nanocrystals, and Cu 2 O nanoparticles. We show experimentally that the selective formation of gaseous C2 products (i.e., ethylene) in CO 2 R is preceded by the reduction of the copper oxide (Cu 2 OR) surface to metallic copper. On the basis of density functional theory modeling, CO2R products are not formed as long as Cu 2 O is present at the surface because Cu 2 OR is kinetically and energetically more favorable than CO2R.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Analytical Modeling of a Double-Sided Flux Concentrating E-Core Transverse Flux Machine with Pole Windings
In this paper, a nonlinear analytical model based on the Magnetic Equivalent Circuit (MEC) method is developed for a double-sided E-Core Transverse Flux Machine (TFM). The proposed TFM has a cylindrical rotor, sandwiched between E-core stators on both sides. Ferrite magnets are used in the rotor with flux concentrating design to attain high airgap flux density, better magnet utilization, and higher torque density. The MEC model was developed using a series-parallel combination of flux tubes to estimate the reluctance network for different parts of the machine including air gaps, permanent magnets, and the stator and rotor ferromagnetic materials, in a two-dimensional (2-D) frame. An iterative Gauss-Siedel method is integrated with the MEC model to capture the effects of magnetic saturation. A single phase, 1 kW, 400 rpm E-Core TFM is analytically modeled and its results for flux linkage, no-load EMF, and generated torque, are verified with Finite Element Analysis (FEA). The analytical model significantly reduces the computation time while estimating results with less than 10 percent error.
30 DIRECT ENERGY CONVERSION↗
An Analytical Tool to Evaluate Defect Thermodynamics of (La,Ba)Fe1-xMxO3-δ Perovskites for Solid-Oxide Cell Applications
A modeling tool of the defect thermodynamics of (La,Ba)Fe1-xMxO3-δ perovskites which includes energetic information about oxygen vacancy formation, hydration, hydride formation, and charge disproportionation reactions has been developed1. This tool incorporates defect energies and entropies expressed as sixth order polynomial functions to allow refinements of the defect reaction equilibrium constants in the thermodynamic analysis. Calculation of (La,Ba)Fe1-xMxO3-δ Brouwer diagrams as a function of pO2/pH2O and pH2/H2O in a range of temperatures of interest is facilitated by this modeling tool. The results obtained can provide direct guidance how the electronic and ionic defect concentrations of the triple conducting perovskite materials can be used to optimize performance of solid oxide cells for energy applications. The impact of magnetic and electronic structures of the perovskites on the defect reaction energies and entropies as obtained from density function theory modeling and the role played by hydride defect species will also be discussed.
Lee, Yueh-Lin↗
Data-driven model for cross ventilation potential in high-density cities based on coupled CFD simulation and machine learning
Effective urban ventilation through decent urban planning and building design can alleviate the deterioration of the urban built environment. Furthermore, natural ventilation requirements and guidelines in current building codes and standards are either qualitative or quantitative but subject to an absolute indoor airspeed threshold without considering the outdoor wind environment. To fill this gap, this paper develops an urban-scale coupled indoor and outdoor computational fluid dynamics (CFD) model and defines a novel ventilation index to assess natural ventilation potential. The index considers wind environments of both indoor and outdoor spaces.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Variational study of fermionic and bosonic systems with non-Gaussian states: Theory and applications
We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian states by including generalized canonical transformations between the fields. The key advantage of such states compared to simple Gaussian states is presence of non-factorizable correlations and the possibility of describing states with strong entanglement between particles. In contrast to the commonly used canonical transformations, such as the polaron or Lang–Firsov transformations, we allow parameters of the transformations to be time dependent, which extends their regions of applicability. We derive equations of motion for the parameters characterizing the states both in real and imaginary time using the differential structure of the variational manifold. The ground state can be found by following the imaginary time evolution until it converges to a steady state. Collective excitations in the system can be obtained by linearizing the real-time equations of motion in the vicinity of the imaginary time steady-state solution. Our formalism allows us not only to determine the energy spectrum of quasiparticles and their lifetime, but to obtain the complete spectral functions and to explore far out of equilibrium dynamics such as coherent evolution following a quantum quench. We illustrate and benchmark this framework with several examples: a single polaron in the Holstein and Su–Schrieffer–Heeger models, non-equilibrium dynamics in the spin-boson and Kondo models, the superconducting to charge density wave phase transitions in the Holstein model.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Landmark-Warped Emulators for Models with Misaligned Functional Response
Many computer models output functional data, and in some cases, these functional data have similar, but misaligned, shape characteristics. In this paper, we introduce a general approach for building emulators for computer models that output misaligned functional data when key values in the functional response (landmarks) can be easily identified. This approach has two main parts: modeling the aligned (using the landmarks) functional data, and modeling the functions that map the misaligned data to the aligned space (warping functions). As the warping functions are required to be monotonic, we give special attention to modeling monotonic functional response data. We discuss how our approach can be easily applied for a variety of typical emulators, such as Gaussian processes, Bayesian multivariate adaptive regression splines, and Bayesian additive regression trees, and how sensitivity analysis can be performed. We demonstrate our approach by building emulators for two applications: (1) a high-energy-density physics computer model used to simulate inertial confinement fusion ignition experiments, where model outputs are highly misaligned, and (2) a multiphysics continuum hydrocode used to simulate high-velocity impact experiments, where model outputs are only slightly misaligned. In case (1) traditional methods cannot be applied, while in (2) they can be applied, but the proposed method performs significantly better.
97 MATHEMATICS AND COMPUTING↗
A comparison of one-dimensional theoretical models of stratospheric minor constituents
The density profiles of stratospheric minor constituents are compiled from several one-dimensional theoretical models that have appeared in the literature. The models are compared with each other and also with observations if data are available. The similarity and disparity of the models are clarified and discussed. If a large difference exists among the models, attempts are made to interpret it as much as possible in terms of the physical and chemical data employed in each model. The inadequacy of one-dimensional models in calculating the realistic ozone density distributions and the problems related to it are briefly discussed.
Shimazaki, T.↗
Hamiltonian fluid closures of the Vlasov-Ampère equations: From water-bags to N moment models
Moment closures of the Vlasov-Ampère system, whereby higher moments are represented as functions of lower moments with the constraint that the resulting fluid system remains Hamiltonian, are investigated by using water-bag theory. The link between the water-bag formalism and fluid models that involve density, fluid velocity, pressure and higher moments is established by introducing suitable thermodynamic variables. The cases of one, two, and three water-bags are treated and their Hamiltonian structures are provided. In each case, we give the associated fluid closures and we discuss their Casimir invariants. We show how the method can be extended to an arbitrary number of fields, i.e., an arbitrary number of water-bags and associated moments. The thermodynamic interpretation of the resulting models is discussed. Finally, a general procedure to derive Hamiltonian N-field fluid models is proposed.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
The Velocity and Density Distribution of Earth-Intersecting Meteoroids: Implications for Environment Models
Meteoroids are known to damage spacecraft: they can crater or puncture components, disturb a spacecraft's attitude, and potentially create secondary electrical effects. Because the damage done depends on the speed, size, density, and direction of the impactor, accurate environment models are critical for mitigating meteoroid-related risks. Yet because meteoroid properties are derived from indirect observations such as meteors and impact craters, many characteristics of the meteoroid environment are uncertain. In this work, we present recent improvements to the meteoroid speed and density distributions. Our speed distribution is derived from observations made by the Canadian Meteor Orbit Radar. These observations are de-biased using modern descriptions of the ionization efficiency. Our approach yields a slower meteoroid population than previous analyses (see Fig. 1 for an example) and we compute the uncertainties associated with our derived distribution. We adopt a higher fidelity density distribution than that used by many older models. In our distribution, meteoroids with TJ less than 2 are assigned to a low-density population, while those with TJ greater than 2 have higher densities (see Fig. 2). This division and the distributions themselves are derived from the densities reported by Kikwaya et al. These changes have implications for the environment: for instance, the helion/antihelion sporadic sources have lower speeds than the apex and toroidal sources and originate from high-T(sub J) parent bodies. Our on-average slower and denser distributions thus imply that the helion and antihelion sources dominate the meteoroid environment even more completely than previously thought. Finally, for a given near-Earth meteoroid cratering rate, a slower meteoroid population produces a comparatively higher rate of satellite attitude disturbances.
Moorhead, A. V.↗
Ionic Transport Coefficients of Dense Plasmas without Molecular Dynamics
In this paper, we present a theoretical model that allows a fast and accurate evaluation of ionic transport properties of realistic plasmas spanning from warm and dense to hot and dilute conditions, including mixtures. This is achieved by combining a recent kinetic theory based on effective interaction potentials with a model for the equilibrium radial density distribution based on an average atom model and the integral equations theory of fluids. Lastly, the model should find broad use in applications where nonideal plasma conditions are traversed, including inertial confinement fusion, compact astrophysical objects, solar and extrasolar planets, and numerous present-day high energy density laboratory experiments.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
F2 peak electron density at Millstone Hill and Hobart: Comparsion of theory and measurement at solar maximum
This paper compares the observed behavior of the (F2) layer of the ionosphere at Millstone Hill and Hobart with calculations from the field line interhemispheric plasma (FLIP) model for solar maximum, solstice conditions in 1990. During the study period the daily F(sub 10.7) index varied by more than a factor of 2 (123 to 280), but the 81-day mean F(sub 10.7) (F(sub 10.7 A)) was almost constant near 190. Calculations were performed with and without the effects of vibrationally excited N2 (N(sup *)(sub 2) which affects the loss rate of atomic oxygen ions. In the case without N(sup *)(sub 2) there is generally good agreement between the model and measurement for the daytime, peak density of the F region (NmF2). Both the model and the measurement show a strong seasonal anomaly with the winter noon densities a factor of 3 to 4 greater than the summer noon densities at Millstone Hill and a factor of 2 greater at Hobart. The seasonal anomaly in the model is caused by changes in the neutral composition as given by the mass spectrometer and incoherent scatter (MSIS) 86 neutral density model. There is generally little or no increase in the observed noon NmF2 as a function of daily F(sub 10.7) except at Millstone Hill in winter. In contrast to the generally good agreement between model and data at noon, the model badly underestimates the density at night at Millstone Hill at all seasons. At Hobart the model reproduces the nighttime density variations well in both winter and summer. The international reference ionosphere (IRI) model generally provides a good representation of the average behavior of noon NmF2 and hmF2 but because the data show a lot of day-to-day variability, there are often large differences. The FLIP model is able to reproduce this variability when hmF2 is specified. The IRI model peak densities are better than the FLIP densities at night, but the IRI model does not represent the Millstone Hill summer data very well at night in 1990.
Richards, P. G.↗
Modeling of fission gas diffusion and release for Gd 2 O 3 doped UO 2
Uranium dioxide (UO 2 ) is the primary nuclear fuel in light water reactors, and its excess neutronic reactivity can be controlled by adding burnable absorbers, such as Gd 2 O 3 . This burnable absorber has a large neutron absorption cross-section, lowering the high reactivity of the reactor's initial fuel load. However, there needs to be more understanding of how added Gd 2 O 3 influences the properties of UO 2 under irradiation. To understand the behavior of defects and fission gas in the UO 2 /Gd 2 O 3 system under irradiation, we use cluster dynamics modeling supported by density functional theory calculations. First, we calculate the formation energies of Gd point and cluster defects, and evaluate the temperature-dependent defect concentrations using the defect formation energies and entropies. We show that Gd is soluble in UO 2 , introducing a negative charge in the system. Using this information, we adapted the cluster dynamics code Centipede to model the influence of Gd on U self-diffusion and Xe diffusion in UO 2 with 10 wt% Gd 2 O 3 . Also, we analyzed the Xe diffusion as a function of Gd 2 O 3 concentration, showing that the Xe diffusivity is decreased, which means that the athermal diffusivity due to electronic stopping persists at higher temperatures. In conclusion, the decrease in Xe diffusion means that more Xe stays in the matrix, decreasing the Xe release, and lowering its influence of fission gas release on the thermomechanical properties of UO 2 .
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗