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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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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Simulating seawater intrusion in a complex coastal karst aquifer using an improved variable-density flow and solute transport–conduit flow process model

VDFST-CFP (variable-density flow and solute transport–conduit flow process) is a density-dependent discrete-continuum numerical model for simulating seawater intrusion in a dual-permeability coastal karst aquifer. A previous study (Xu and Hu 2017) simulates variable-density flow only in a single conduit, and studies the parameter sensitivities only in the horizontal case (2D domain as horizontal section) by the VDFST-CFP model. This paper focuses on the density-dependent vertical case (2D domain as vertical section) with two major improvements: 1) when implementing double-conduit networks in the domain, simulated intruded plumes in the porous medium are extended in the double-conduit scenario, compared to the single-conduit system; 2) by quantifying micro-textures on the conduit wall by the Goudar-Sonnad equation and considering macro-structures as local head loss. Sensitivity analysis shows that medium hydraulic conductivity, conduit diameter and effective porosity are important parameters for simulating seawater intrusion in the discrete-continuum system. On the other hand, rougher micro-structures and additional macro-structure components on the conduit wall would reduce the distance of seawater intrusion to the conduit system, but, rarely affect salinity distribution in the matrix. Compared to the equivalent mean roughness height, the new method (with more detailed description of structure) simulates seawater intrusion slightly landward in the conduit system. Here, the macro-structure measured by local head loss is more reasonable but needs further study on conduit flow. Xu and Hu (2017) Development of a discrete-continuum VDFST-CFP numerical model for simulating seawater intrusion to a coastal karst aquifer with a conduit system.

58 GEOSCIENCES↗
DOE OSTI2015

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Primordial black holes in linear and non-linear regimes

We revisit the formation of primordial black holes (PBHs) in the radiation-dominated era for both linear and non-linear regimes, elaborating on the concept of an apparent horizon. Contrary to the expectation from vacuum models, we argue that in a cosmological setting a density fluctuation with a high density does not always collapse to a black hole. To this end, we first elaborate on the perturbation theory for spherically symmetric space times in the linear regime. Thereby, we introduce two gauges. This allows to introduce a well defined gauge-invariant quantity for the expansion of null geodesics. Using this quantity, we argue that PBHs do not form in the linear regime irrespective of the density of the background. Finally, we consider the formation of PBHs in non-linear regimes, adopting the spherical collapse picture. In this picture, over-densities are modeled by closed FRW models in the radiation-dominated era. The difference of our approach is that we start by finding an exact solution for a closed radiation-dominated universe. This yields exact results for turn-around time and radius. It is important that we take the initial conditions from the linear perturbation theory. Additionally, instead of using uniform Hubble gauge condition, both density and velocity perturbations are admitted in this approach. Thereby, the matching condition will impose an important constraint on the initial velocity perturbations δ {sup h} {sub 0} = −δ{sub 0}/2. This can be extended to higher orders. Using this constraint, we find that the apparent horizon of a PBH forms when δ > 3 at turn-around time. The corrections also appear from the third order. Moreover, a PBH forms when its apparent horizon is outside the sound horizon at the re-entry time. Applying this condition, we infer that the threshold value of the density perturbations at horizon re-entry should be larger than δ {sub th} > 0.7.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Bayesian model mixing with multireference energy density functional

Reliably predicting nuclear properties across the entire chart of isotopes is important for applications ranging from nuclear astrophysics to superheavy science to nuclear technology. To this day, however, all the theoretical models that can scale at the level of the chart of isotopes remain semiphenomenological. Because they are fitted locally, their predictive power can vary significantly; different versions of the same theory provide different predictions. Bayesian model mixing takes advantage of such imperfect models to build a local mixture of a set of models to make improved predictions. Earlier attempts to use Bayesian model mixing for mass table calculations relied on models treated at single-reference energy density functional level, which fail to capture some of the correlations caused by configuration mixing or the restoration of broken symmetries. In this study we have applied Bayesian model mixing techniques within a multireference energy density functional (MR-EDF) framework. We considered predictions of two-particle separation energies from particle number projection or angular momentum projection with four different energy density functionals—a total of eight different MR-EDF models. We used a hierarchical Bayesian stacking framework with a Dirichlet prior distribution over weights together with an inverse log-ratio transform to enable positive correlations between different models. We found that Bayesian model mixing provides significantly improved predictions compared to the participating models. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2012

New Vary-Chap Profile of the Topside Ionosphere Electron Density Distribution for use with the IRI Model and the GIRO Real-Time Data

A new Vary-Chap function is introduced for the empirical modeling of the electron density N(h) profile in the topside ionosphere that uses a shape function S(h) in the generalized Chapman function. The Vary-Chap profile extends the bottomside profile that is specified by the IRI model or measured by the Global Ionospheric Radio Observatory (GIRO) to the altitude of the ISIS-2 satellite. Some 80,000 topside profiles, measured by the topside sounder on the ISIS-2 satellite were analyzed, and the shape function S(h) was calculated for each profile. A parameterized function S*(h), composed of two sub-functions S1(h) and S2(h), is fitted to the measured S(h) profile using three free parameters. At altitudes just above the F2 layer peak height hmF2, the shape function S1 controls S(h), and at greater altitudes S2 controls S(h). The height of the intersection of S1 and S2 is defined as the transition height h(sub T) indicating the transition from an O(+) to an H(+)-dominated profile shape. The observed transition heights range from approx.500 km to 800 km.

Nsumei, Patrick↗
DOE OSTI2020

Theoretical Model of Helium Bubble Growth and Density in Plasma-Facing Metals

We present a theoretically-motivated model of helium bubble density as a function of volume for high-pressure helium bubbles in plasma-facing tungsten. The model is a good match to the empirical correlation we published previously [Hammond et al., Acta Mater. 144, 561–578 (2018)] for small bubbles, but the current model uses no adjustable parameters. The model is likely applicable to significantly larger bubbles than the ones examined here, and its assumptions can be extended trivially to other metals and gases. We expect the model to be broadly applicable and useful in coarse-grained models of gas transport in metals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Energy–density functional plus quasiparticle–phonon model theory as a powerful tool for nuclear structure and astrophysics

During the last decade, a theoretical method based on the energy–density functional theory and quasiparticle–phonon model, including up to three-phonon configurations was developed. The main advantages of themethod are that it incorporates a self-consistentmean-field and multi-configuration mixing which are found of crucial importance for systematic investigations of nuclear low-energy excitations, pygmy and giant resonances in an unified way. In particular, the theoretical approach has been proven to be very successful in predictions of new modes of excitations, namely pygmy quadrupole resonance which is also lately experimentally observed. Recently, our microscopically obtained dipole strength functions are implemented in predictions of nucleon-capture reaction rates of astrophysical importance. A comparison to available experimental data is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

A classical reactive potential for molecular clusters of sulphuric acid and water

We present a two state empirical valence bond (EVB) potential describing interactions between sulphuric acid and water molecules and designed to model proton transfer between them within a classical dynamical framework. The potential has been developed in order to study the properties of molecular clusters of these species, which are thought to be relevant to atmospheric aerosol nucleation. The particle swarm optimisation method has been used to fit the parameters of the EVB model to density functional theory (DFT) calculations. Features of the parametrised model and DFT data are compared and found to be in satisfactory agreement. In particular, it is found that a single sulphuric acid molecule will donate a proton when clustered with four water molecules at 300 K and that this threshold is temperature dependent. SMK was supported in part by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; JLS and IJF were supported by the IMPACT scheme at University College London (UCL). We acknowledge the UCL Legion High Performance Computing Facility, and associated support services together with the resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the U.S. Department of Energy under Contract No. DE-AC02- 05CH11231. JLS thanks Dr. Gregory Schenter, Dr. Theo Kurtén and Prof. Hanna Vehkamäki for important guidance and discussions.

aerosols↗
NASA NTRS1982

A generalization of algebraic surface drawing

An implicit surface mathematical description of three-dimensional space is defined in terms of all points which satisfy some equation F(x, y, z) equals 0. This form is ideal for space-shaded picture drawing, where the coordinates are substituted for x and y and the equation is solved for z. A new algorithm is presented which is applicable to functional forms other than those of first- and second-order polynomial functions, such as the summation of several Gaussian density distributions. The algorithm was created in order to model electron density maps of molecular structures, but is shown to be capable of generating shapes of esthetic interest.

Blinn, J. F.↗
NASA NTRS1984

On the '3 kiloparsec arm' - Resonance excitation of linear and nonlinear waves by an oval distortion in the central region

The mechanism responsible for the massive rapidly expanding Galactic feature known as the 3-kpc arm (Rougoor and Oort, 1960) is investigated theoretically in the framework of a density-wave model of the Galaxy. The arm is attributed to outgoing waves excited at the outer Lindblad resonance (OLR) of a small rotating oval distortion near the Galactic center. Linear and nonlinear models are developed, and it is shown that a density crest at 3.5 kpc with expansion velocity 53 km/s can be generated by a distortion turning at 118 km/s kpc with a 10-percent perturbation of the main gravitational field at the OLR (located at 3 kpc). The wave character of the nonlinear solution is found to be the same as that of the linear solution and to give good agreement with the observations in terms of expansion velocity, size, shape, and mass; only the observed asymmetry of the arm is not reproduced.

Yuan, C.↗
NASA NTRS2021

Modeling the Effects of Liquid-to-Gas Density Ratio on Slosh Dynamics

Mechanical models are commonly used in Guidance, Navigation and Controls (GN&C) system-level models to represent propellant slosh forces on launch vehicles and spacecraft. The slosh model parameters are typically predicted using semi-empirical analytical methods that are based on experimental data for high liquid-to-gas density ratios (such as water and air at standard sea level conditions). Model parameter calculations typically neglect any contribution to slosh dynamics from the gas phase. However, some cryogenic propellant systems operate in conditions where the density ratio can be orders of magnitude smaller. Analytical and computational modeling was used in this effort to investigate the effects of liquid-to-gas density ratio on slosh dynamics. No experimental data nor previous studies are available at this time that quantify the effect of liquid-to-gas density ratio on slosh dynamics. However, in a recent CFD study, results showed that density ratio can have a significant effect on slosh model parameters. In this study, a dual pendulum slosh model was created that distinctly represents both liquid and gas phase dynamics. Solution of the model, which invokes the Euler-Lagrange equations of motion, demonstrates that slosh frequency is a combination of liquid slosh frequency and gas phase slosh frequency. Additionally, it shows that slosh mass is reduced due to the opposing motion of the gas phase with respect to that of the liquid phase. The slosh model parameter trends were verified using Computational Fluid Dynamics (CFD) analysis results for various liquid-to-gas density ratios, tanks, and fill levels.

Christopher D Moore↗
NASA NTRS1990

Recognition and characterization of hierarchical interstellar structure. I - Correlation function

The problem of the quantitative description of multiscale structure in interstellar cloud complexes and gravitational collapse calculations is considered, emphasizing the recognition and characterization of hierarchical fragmentation structure. The response of the two-point correlation function to a variety of analytical models for density structure is discussed for simple clustering of pointlike clouds to more complex models involving clouds with a distribution of sizes and densities and hierarchical substructure. By expressing the density distribution as the superposition of individual clouds, it is shown that the correlation function generates two types of terms: those involving each cloud's density convolved with itself and those involving pairs of different clouds. Major distortion of the correlation function are introduced by the presence of any image features with size scales a significant fraction of the image size.

Houlahan, Padraig↗