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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

A study of plasmaspheric density distributions for diffusive equilibrium conditions

The plasmaspheric density distribution has been modeled for a range of solar cycle, seasonal and diurnal conditions with a magnetic flux tube dependent diffusive equilibrium model by using experimentally determined values of ionospheric parameters at 675 km as boundary conditions. Data is presented in terms of plasmaspheric H(+) and He(+) density contours, total flux tube content, and equatorial plasma density for a range of L-values from 1.15 to 3.0. The variation of equatorial density with L-value shows good agreement with the 1/L exp 4 dependence observed experimentally. The results show that the model predicts larger solar cycle and diurnal variation in equatorial plasma density than observed using whistler techniques. However, the whistler method requires a model to deduce the equatorial density and is therefore open to interpretation. Seasonal variations are rather artificial since in this general model no attempt has been made to match equatorial densities for flux tubes emanating from the winter and summer hemispheres.

Li, W.↗
DOE OSTI2016

Magnetic field strengths in photodissociation regions

We measure carbon radio recombination line (RRL) emission at 5.3 GHz toward four H ii regions with the Green Bank Telescope to determine the magnetic field strength in the photodissociation region (PDR) that surrounds the ionized gas. Roshi suggests that the non-thermal line widths of carbon RRLs from PDRs are predominantly due to magneto-hydrodynamic waves, thus allowing the magnetic field strength to be derived. We model the PDR with a simple geometry and perform the non-LTE radiative transfer of the carbon RRL emission to solve for the PDR physical properties. Using the PDR mass density from these models and the carbon RRL non-thermal line width we estimate total magnetic field strengths of B∼100--300 μG in W3 and NGC 6334A. Our results for W49 and NGC 6334D are less well constrained with total magnetic field strengths between B∼ 200--1000 μG. H i and OH Zeeman measurements of the line of sight magnetic field strength (B{sub los}), taken from the literature, are between a factor of ∼0.5--1 of the lower bound of our carbon RRL magnetic field strength estimates. Since |B{sub los}|⩽B, our results are consistent with the magnetic origin of the non-thermal component of carbon RRL widths.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Optimal Experimental Design Using a Consistent Bayesian Approach

We consider the utilization of a computational model to guide the optimal acquisition of experimental data to inform the stochastic description of model input parameters. Our formulation is based on the recently developed consistent Bayesian approach for solving stochastic inverse problems, which seeks a posterior probability density that is consistent with the model and the data in the sense that the push-forward of the posterior (through the computational model) matches the observed density on the observations almost everywhere. Given a set of potential observations, our optimal experimental design (OED) seeks the observation, or set of observations, that maximizes the expected information gain from the prior probability density on the model parameters. We discuss the characterization of the space of observed densities and a computationally efficient approach for rescaling observed densities to satisfy the fundamental assumptions of the consistent Bayesian approach. Finally, numerical results are presented to compare our approach with existing OED methodologies using the classical/statistical Bayesian approach and to demonstrate our OED on a set of representative partial differential equations (PDE)-based models.

42 ENGINEERING↗
DOE OSTI2016

Solvation Effects in the Hydrodeoxygenation of Propanoic Acid over a Model Pd(211) Catalyst

The effects of liquid water and 1,4-dioxane on the hydrodeoxygenation of propionic acid over Pd(211) model surfaces have been studied from first principles. Here, a microkinetic model with parameters obtained from density functional theory and implicit solvation models was developed to study the effects of these solvents on the reaction mechanism and kinetic parameters. In the presence of water, dehydrogenated derivatives of propionic acid and propionate are stabilized, and a new decarboxylation mechanism involving CH 3 CCOOH surface species is facilitated, leading to a higher decarboxylation rate. However, stronger adsorption of CO in the presence of liquid water resulted in fewer free sites and an overall lower turnover frequency. By contrast, in the presence of 1,4-dioxane, the most dominant decarboxylation pathway does not involve a dehydrogenated propionate species, but propionate goes through decarboxylation to form CO 2 and C 2 fragments very similar to the mechanism in the gas phase. Again, in the presence of 1,4-dioxane, CO adsorbs more strongly, and fewer free sites are available for catalysis, leading to a slightly smaller turnover frequency. In all reaction environments, we observed that the decarbonylation mechanism is slightly preferred over the decarboxylation mechanism and that C–OH bond cleavage is the most rate-controlling step followed by α-carbon dehydrogenation steps and (in liquid water) decarboxylation of dehydrogenated derivatives. Comparing solvent effects over Pd(211) with those over Pd(111), we observe that the free site coverage is reduced in the presence of solvents on all Pd surfaces, which reduces the activity of Pd(211). In addition, elementary steps that involve a carboxyl/carboxylate group changing its orientation from the surface to the liquid phase, such as the dehydrogenation of propionate, are significantly facilitated such that liquid water increased the activity of Pd(111).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Early dark energy constraints with late-time expansion marginalization

Abstract Early dark energy (EDE) is an extension to the ΛCDM model that includes an additional energy density contribution near recombination. The model was proposed to reduce the tension between the measurements of the Hubble constantH 0 from the cosmic microwave background (CMB) and from the local cosmic distance ladder. Some analyses in the recent literature have shown intriguing hints for EDE. However, this model increases the tension in the derived clustering of galaxies (as measured by the so-calledS 8 parameter) between CMB and large scale structure (LSS) measurements. This new tension limits the contribution of EDE during recombination, and thus its effect on the Hubble tension. In this work, we investigate whether the inclusion of a general, smooth late-time dark energy modification can increase back the EDE contribution when LSS data is included in the analysis. In order to generalize the late expansion with respect to the ΛCDM model, we substitute the cosmological constant by a late dark energy fluid model with a piecewise constant equation of state w(z) in redshift bins. We show that, when analysing this generalized model with combinations of CMB, LSS and type Ia supernovae data from several experiments no significant changes onS 8 and EDE parameter constraints is found. The contribution to the EDE fraction constraint with late-time expansion marginalization isf EDE = 0.067 +0.019 -0.027 using 3 redshift bins, with similar results for 5 and 10 redshift bins. This work shows that in order to solve simultaneously the Hubble andS 8 tensions, one needs a mechanism for increasing the clustering of matter at late times different from a simple change in the background evolution of late dark energy.

Astronomy & Astrophysics↗
DOE OSTI2022

Prediction of orbital-selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce 2 O 2 FeSe 2 under hole and electron doping

The recent detailed study of quasi-one-dimensional iron-based ladders, with the 3d iron electronic density n=6, has unveiled surprises, such as orbital-selective phases. However, similar studies for n=6 iron chains are still rare. Here a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional n=6 iron chain Ce 2 O 2 FeSe 2 , with focus on the effect of doping. Specifically, introducing the Hubbard U and Hund J H couplings and studying the model via the density matrix renormalization group, we report the ground-state phase diagram varying the electronic density away from n=6. For the realistic Hund coupling J H /U=1/4, several electronic phases were obtained, including a metal, orbital-selective Mott, and Mott insulating phases. Doping away from the parent phase, the competition of many tendencies leads to a variety of magnetic states, such as ferromagnetism, as well as several antiferromagnetic and magnetic “block” phases. In the hole-doping region, two different interesting orbital-selective Mott phases were found: OSMP1 (with one localized orbital and two itinerant orbitals) and OSMP2 (with two localized orbitals and one itinerant orbital). Moreover, charge disproportionation phenomena were found in special doping regions. We argue that our predictions can be tested by simple modifications in the original chemical formula of Ce 2 O 2 FeSe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

PDF turbulence modeling and DNS

The problem of time discontinuity (or jump condition) in the coalescence/dispersion (C/D) mixing model is addressed in probability density function (pdf). A C/D mixing model continuous in time is introduced. With the continuous mixing model, the process of chemical reaction can be fully coupled with mixing. In the case of homogeneous turbulence decay, the new model predicts a pdf very close to a Gaussian distribution, with finite higher moments also close to that of a Gaussian distribution. Results from the continuous mixing model are compared with both experimental data and numerical results from conventional C/D models. The effect of Coriolis forces on compressible homogeneous turbulence is studied using direct numerical simulation (DNS). The numerical method used in this study is an eight order compact difference scheme. Contrary to the conclusions reached by previous DNS studies on incompressible isotropic turbulence, the present results show that the Coriolis force increases the dissipation rate of turbulent kinetic energy, and that anisotropy develops as the Coriolis force increases. The Taylor-Proudman theory does apply since the derivatives in the direction of the rotation axis vanishes rapidly. A closer analysis reveals that the dissipation rate of the incompressible component of the turbulent kinetic energy indeed decreases with a higher rotation rate, consistent with incompressible flow simulations (Bardina), while the dissipation rate of the compressible part increases; the net gain is positive. Inertial waves are observed in the simulation results.

Hsu, A. T.↗
NASA NTRS2007

An Analysis of Dust Halo and Extinction Toward X Persei

Interstellar dust grain models are not sufficiently constrained by UV extinction curves to be able to distinguish between them. By testing grain models in the X-ray regime and applying elemental abundance constraints, we show to what extent the models can reproduce the observables in these regimes, and if they are capable of doing so while respecting the abundance limits. We tested the MRN and WD grain models. The fits to the X-ray data do not allow us to distinguish between MRN and WD; both models provide reasonable fits, but cannot do so while respecting the elemental abundance constraints. The situation in the UV regime is similar. Both MRN and WD underestimate the hydrogen column density NH. The model of ZDA provides promising results, as it finds NH much closer to the UV-measured value; further testing of this model is called for.

Valencic, Lynne A.↗
NASA NTRS2017

Model Validation for Propulsion - On the TFNS and LES Subgrid Models for a Bluff Body Stabilized Flame

With advances in computational power and availability of distributed computers, the use of even the most complex of turbulent chemical interaction models in combustors and coupled analysis of combustors and turbines is now possible and more and more affordable for realistic geometries. Recent more stringent emission standards have enticed the development of more fuel-efficient and low-emission combustion system for aircraft gas turbine applications. It is known that the NOx emissions tend to increase dramatically with increasing flame temperature. It is well known that the major difficulty, when modeling the turbulence-chemistry interaction, lies in the high non-linearity of the reaction rate expressed in terms of the temperature and species mass fractions. The transport filtered density function (FDF) model and the linear eddy model (LEM), which both use local instantaneous values of the temperature and mass fractions, have been shown to often provide more accurate results of turbulent combustion. In the present, the time-filtered Navier-Stokes (TFNS) approach capable of capturing unsteady flow structures important for turbulent mixing in the combustion chamber and two different subgrid models, LEM-like and EUPDF-like, capable of emulating the major processes occurring in the turbulence-chemistry interaction will be used to perform reacting flow simulations of a selected test case. The selected test case from the Volvo Validation Rig was documented by Sjunnesson.

bluff body↗
DOE OSTI2019

Coupling constant corrections in a holographic model of heavy ion collisions with nonzero baryon number density

Sufficiently energetic collisions of heavy ions result in the formation of a droplet of a strongly coupled liquid state of QCD matter known as quark-gluon plasma. By using gauge-gravity duality (holography), a model of a rapidly hydrodynamizing and thermal- izing process like this can be constructed by colliding sheets of energy density moving at the speed of light and tracking the subsequent evolution. In this work, we consider the dual gravitational description of such collisions in the most general bulk theory with a four-derivative gravitational action containing a dynamical metric and a gauge field in five dimensions. Introducing the bulk gauge field enables the analysis of collisions of sheets which carry nonzero “baryon” number density in addition to energy density. Introducing the four-derivative terms enables consideration of such collisions in a gauge theory with finite gauge coupling, working perturbatively in the inverse coupling. While the dynamics of energy and momentum in the presence of perturbative inverse-coupling corrections has been analyzed previously, here we are able to determine the effect of such finite coupling corrections on the dynamics of the density of a conserved global charge, which we take as a model for the dynamics of nonzero baryon number density. In accordance with expectations, as the coupling is reduced we observe that after the collisions less baryon density ends up stopped at mid-rapidity and more of it ends up moving near the lightcone.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1976

Double ion production in mercury thrusters

The development of a model which predicts doubly charged ion density is discussed. The accuracy of the model is shown to be good for two different thruster sizes and a total of 11 different cases. The model indicates that in most cases more than 80% of the doubly charged ions are produced from singly charged ions. This result can be used to develop a much simpler model which, along with correlations of the average plasma properties, can be used to determine the doubly charged ion density in ion thrusters with acceptable accuracy. Two different techniques which can be used to reduce the doubly charged ion density while maintaining good thruster operation, are identified as a result of an examination of the simple model. First, the electron density can be reduced and the thruster size then increased to maintain the same propellant utilization. Second, at a fixed thruster size, the plasma density, temperature and energy can be reduced and then to maintain a constant propellant utilization the open area of the grids to neutral propellant loss can be reduced through the use of a small hole accelerator grid.

Peters, R. R.↗
DOE OSTI2018

Elastic full-waveform inversion and parameterization analysis applied to walk-away vertical seismic profile data for unconventional (heavy oil) reservoir characterization

We report seismic full-waveform inversion (FWI) methods hold strong potential to recover multiple subsurface elastic properties for hydrocarbon reservoir characterization. Simultaneously updating multiple physical parameters introduces the problem of interparameter tradeoff, arising from the covariance between different physical parameters, which increases nonlinearity and uncertainty of multiparameter FWI. The coupling effects of different physical parameters are significantly influenced by model parameterization and acquisition arrangement. An appropriate choice of model parameterization is critical to successful field data applications of multiparameter FWI. The objective of this paper is to examine the performance of various model parameterizations in isotropic-elastic FWI with walk-away vertical seismic profile (W-VSP) dataset for unconventional heavy oil reservoir characterization. Six model parameterizations are considered: velocity-density (α, β and ρ'), modulus-density (κ, μ and ρ), Lamé-density (λ, μ' and ρ'''), impedance-density (IP, IS and ρ''), velocity-impedance-I (α', β' and I' P ), and velocity-impedance-II (α'', β'' and I'S). We begin analyzing the interparameter tradeoff by making use of scattering radiation patterns, which is a common strategy for qualitative parameter resolution analysis. In this paper, we discuss the advantages and limitations of the scattering radiation patterns and recommend that interparameter tradeoffs be evaluated using interparameter contamination kernels, which provide quantitative, second-order measurements of the interparameter contaminations and can be constructed efficiently with an adjoint-state approach. Synthetic W-VSP isotropic-elastic FWI experiments in the time domain verify our conclusions about interparameter tradeoffs for various model parameterizations. Density profiles are most strongly influenced by the interparameter contaminations; depending on model parameterization, the inverted density profile can be over-estimated, under-estimated or spatially distorted. Among the six cases, only the velocity-density parameterization provides stable and informative density features not included in the starting model. Field data applications of multicomponent W-VSP isotropic-elastic FWI in the time domain were also carried out. Finally, the heavy oil reservoir target zone, characterized by low α-to-β ratios and low Poisson’s ratios, can be identified clearly with the inverted isotropic-elastic parameters.

58 GEOSCIENCES↗
NASA NTRS2021

Reflection Modeling of the Black Hole Binary 4U 1630–47: The Disk Density and Returning Radiation

We present the analysis of X-ray observations of the black hole binary 4U 1630−47 using relativistic reflection spectroscopy. We use archival data from the Rossi X-ray Timing Explorer, Neil Gehrels Swift Observatory, and Nuclear Spectroscopic Telescope Array observatories, taken during different outbursts of the source between 1998 and 2015. Our modeling includes two relatively new advances in modern reflection codes: high-density disks, and returning thermal disk radiation. Accretion disks around stellar-mass black holes are expected to have densities well above the standard value assumed in traditional reflection models (i.e., n(e) ∼ 10^(15) per cu. cm). New high-density reflection models have important implications in the determination of disk truncation (i.e., the disk inner radius). This is because one must retain self-consistency in the irradiating flux and corresponding disk ionization state, which is a function of disk density and system geometry. We find that the disk density is n(e) ≥ 10^(20) per cu. cm across all spectral states. This density, combined with our constraints on the ionization state of the material, implies an irradiating flux impinging on the disk that is consistent with the expected theoretical estimates. Returning thermal disk radiation—the fraction of disk photons that bend back to the disk producing additional reflection components—is expected predominantly in the soft state. We show that returning radiation models indeed provide a better fit to the soft-state data, reinforcing previous results that show that in the soft state, the irradiating continuum may be blackbody emission from the disk itself.

Riley M. T. Connors↗
DOE OSTI2017

A multi criteria analog model for assessing the vulnerability of rural catchments to road spills of hazardous substances

Road spills of hazardous substances are common in developing countries due to increasing industrialization and traffic accidents, and represent a serious threat to soils and water in catchments. There is abundant literature on equations describing the wash-off of pollutants from roads during a storm event and there are a number of watershed models incorporating those equations in storm water quality algorithms that route runoff and pollution yields through a drainage system towards the catchment outlet. However, methods describing catchment vulnerability to contamination by road spills based solely on biophysical parameters are scarce. These methods could be particularly attractive to managers because they can operate with a limited amount of easily collectable data, while still being able to provide important insights on the areas more prone to contamination within the studied watershed. The purpose of this paper was then to contribute with a new vulnerability model. To accomplish the goal, a selection of medium properties appearing in wash-off equations and routing algorithms were assembled and processed in a parametric framework based on multi criteria analysis to define the watershed vulnerability. However, parameters had to be adapted because wash-off equations and water quality models have been developed to operate primarily in the urban environment while the vulnerability model is meant to run in rural watersheds. The selected parameters were hillside slope, ground roughness (depending on land use), soil permeability (depending on soil type), distance to water courses and stream density. The vulnerability model is a spatially distributed algorithm that was prepared to run under the IDRISI Selva software, a GIS platform capable of handling spatial and alphanumeric data and execute the necessary terrain model, hydrographic and thematic analyses. For illustrative purposes, the vulnerability model was applied to the legally protected Environmental Protection Area (APA), located in the Uberaba region, state of Minas Gerais, Brazil. In this region, the risk of accidents causing chemical spills is preoccupying because large quantities of dangerous materials are transported in two important distribution highways while the APA is fundamental for the protection of water resources, the riverine ecosystems and remnants of native vegetation. In some tested scenarios, model results show 60% of vulnerable areas within the studied area. The most sensitive parameter to vulnerability is soil type. To prevent soils from contamination, specific measures were proposed involving minimization of land use conflicts that would presumably raise the soil's organic matter and in the sequel restore the soil's structural functions. Additionally, the present study proposed the preservation and reinforcement of riparian forests as one measure to protect the quality of surface water. - Highlights: • A multi criteria analog model was developed to assess rural catchment vulnerability along roads. • Model parameters were defined by analogy with urban wash-off equations and routing algorithms. • The model mixes up various biophysical and socio-economic parameters. • Model application was based on a scenario analysis. • The study is focused on the Environmental Protection Area of Uberaba River, Brazil.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Investigating the effect of aluminum oxide fixed charge on Schottky barrier height in molybdenum oxide-based selective contacts

A tunneling atomic layer deposited (ALD) AlO x layer was inserted in a Si|SiO x |AlO x |MoO x |metal tunnel diode structure to investigate the impact of fixed interface charge on Schottky barrier height. ALD AlO x provides a synthesis-tunable fixed charge and can provide excellent field effect passivation at the SiO x |AlO x interface. A large (>1 × 10 12 q.cm –2 ) negative fixed charge density was expected to decrease Schottky barrier height on p-type silicon and increase Schottky barrier height on n-type silicon by up to 0.4 eV based on an electrostatic model. Fixed charge density and interface trap state density were measured using a thick layer of AlO x in metal oxide semiconductor capacitor structures (MOSCAPs); Schottky barrier height and specific contact resistivity were measured using a tunneling-active layer of AlO x in contacted structures with MoO x . In some samples, HfO x interface layers were inserted between AlO x and silicon to quench the fixed negative charge. The Schottky barrier height was found to vary with processing conditions but did not have a strong correlation with expected fixed charge density. Here, while fixed charge may play a role in determining the Schottky barrier height, other parameters also have significant affect. Further work is needed to minimize contact resistivity and elucidate other factors impacting the Schottky barrier height.

14 SOLAR ENERGY↗
DOE OSTI2024

Structure, Bonding, and Vibrational Dynamics of a Triamine High Energy Density Material under Pressure

High energy density materials have complex intermolecular interactions which influence their stability and performance. We used a combination of synchrotron X-ray diffraction, synchrotron infrared spectroscopy, and Raman vibrational spectroscopy, supplemented by density functional theory calculations, to probe pressure-induced changes in structure and intermolecular interactions of 1H,4'H-[3,3'-bis(1,2,4-triazole)]-4',5,5'-triamine as a model high energy density material up to 40 GPa. We find that compression of the triamine is accompanied by increased intermolecular interactions that give rise to an interesting evolution of the structure and bonding with pressure. Analysis of the equation of state determined from the X-ray diffraction indicates a change in compression mechanism near 19 GPa consistent with changes in vibrational spectra that provide evidence for a structural rearrangement associated with changes in hydrogen bonding near that pressure. As a result, the overall compressional behavior calculated theoretically agrees with that observed experimentally though differences are found that indicate the need for improved treatment of the intermolecular interactions including hydrogen bonding under pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Density jumps near the virial radius of galaxy clusters

Recent simulations have indicated that the dark matter halos of galaxy clusters should feature steep density jumps near the virial radius. Since the member galaxies are expected to follow similar collisionless dynamics as the dark matter, the galaxy density profile should show such a feature as well. We examine the potential of current data sets to test this prediction by selecting cluster members for a sample of 56 low-redshift (0.1<z<0.3) galaxy clusters, constructing their projected number density profiles, and fitting them with two profiles, one with a steep density jump and one without. Additionally, we investigate the presence of a jump using a non-parametric spline approach. We find that some of these clusters show strong evidence for a model with a density jump, with the strength of the signal increasing with the inclusion of spectroscopic cluster member identification. We discuss avenues for further analysis of the density jump with future data sets, particularly with the inclusion of additional spectroscopy of cluster outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2014

ORDEM 3.0 and the Risk of High-Density Debris

NASA’s Orbital Debris Engineering Model was designed to calculate orbital debris fluxes on spacecraft in order to assess collision risk. The newest of these models, ORDEM 3.0, has a number of features not present in previous models. One of the most important is that the populations and fluxes are now broken out into material density groups. Previous models concentrated on debris size alone, but a particle’s mass and density also determine the amount of damage it can cause. ORDEM 3.0 includes a high-density component, primarily consisting of iron/steel particles that drive much of the risk to spacecraft. This paper will outline the methods that were used to separate and identify the different densities of debris, and how these new densities affect the overall debris flux and risk.

Matney, Mark↗