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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

BLACK HOLE FORAGING: FEEDBACK DRIVES FEEDING

We suggest a new picture of supermassive black hole (SMBH) growth in galaxy centers. Momentum-driven feedback from an accreting hole gives significant orbital energy, but little angular momentum to the surrounding gas. Once central accretion drops, the feedback weakens and swept-up gas falls back toward the SMBH on near-parabolic orbits. These intersect near the black hole with partially opposed specific angular momenta, causing further infall and ultimately the formation of a small-scale accretion disk. The feeding rates into the disk typically exceed Eddington by factors of a few, growing the hole on the Salpeter timescale and stimulating further feedback. Natural consequences of this picture include (1) the formation and maintenance of a roughly toroidal distribution of obscuring matter near the hole; (2) random orientations of successive accretion disk episodes; (3) the possibility of rapid SMBH growth; (4) tidal disruption of stars and close binaries formed from infalling gas, resulting in visible flares and ejection of hypervelocity stars; (5) super-solar abundances of the matter accreting on to the SMBH; and (6) a lower central dark-matter density, and hence annihilation signal, than adiabatic SMBH growth implies. We also suggest a simple subgrid recipe for implementing this process in numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

THE BLUE STRAGGLER STAR POPULATION IN NGC 1261: EVIDENCE FOR A POST-CORE-COLLAPSE BOUNCE STATE

We present a multi-passband photometric study of the Blue Straggler Star (BSS) population in the Galactic globular cluster (GC) NGC 1261, using available space- and ground-based survey data. The inner BSS population is found to have two distinct sequences in the color-magnitude diagram (CMD), similar to double BSS sequences detected in other GCs. These well defined sequences are presumably linked to single short-lived events such as core collapse, which are expected to boost the formation of BSSs. In agreement with this, we find a BSS sequence in NGC 1261 which can be well reproduced individually by a theoretical model prediction of a 2 Gyr old population of stellar collision products, which are expected to form in the denser inner regions during short-lived core contraction phases. Additionally, we report the occurrence of a group of BSSs with unusually blue colors in the CMD, which are consistent with a corresponding model of a 200 Myr old population of stellar collision products. The properties of the NGC 1261 BSS populations, including their spatial distributions, suggest an advanced dynamical evolutionary state of the cluster, but the core of this GC does not show the classical signatures of core collapse. We argue that these apparent contradictions provide evidence for a post-core-collapse bounce state seen in dynamical simulations of old GCs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Propagation of a Self-Similar Pulse in a Medium with One-Photon Transient Absorption

The shape of an optical self-similar pulse that propagates in a medium of finite length with noninstantaneous nonlinear absorption is found analytically. The pulse has an asymmetric shape and, in addition, frequency modulation, which confirms that it belongs to a new type of self-similar propagation modes of laser radiation—chirped pulses with a self-similar shape. The existence of pulses of this kind is also confirmed by results of computer simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Statistical mechanics of Coulomb gases as quantum theory on Riemann surfaces

Statistical mechanics of a 1D multivalent Coulomb gas can be mapped onto non-Hermitian quantum mechanics. We use this example to develop the instanton calculus on Riemann surfaces. Borrowing from the formalism developed in the context of the Seiberg-Witten duality, we treat momentum and coordinate as complex variables. Constant-energy manifolds are given by Riemann surfaces of genus g {>=} 1. The actions along principal cycles on these surfaces obey the ordinary differential equation in the moduli space of the Riemann surface known as the Picard-Fuchs equation. We derive and solve the Picard-Fuchs equations for Coulomb gases of various charge content. Analysis of monodromies of these solutions around their singular points yields semiclassical spectra as well as instanton effects such as the Bloch bandwidth. Both are shown to be in perfect agreement with numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Processes of diffusion in a limited ensemble of charged particles in a static magnetic field

The dynamics of a limited ensemble of charged particles in a spatially uniform static magnetic field has been studied analytically and numerically. Calculations have been performed for particles with various masses and charges in a wide range of the parameters of the systems under study. It has been shown that the transverse diffusion coefficient in an ensemble of particles in the magnetic field for weakly nonideal systems is described by the Townsend formula. Analytical estimates have been proposed for the analysis of the effective diffusion radius of the ensemble of particles owing to their thermal motion. The proposed relations have been tested by the numerical simulation of the problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Effect of Magnetic Field on the Dynamics of Movement of Charged Particles in Cluster Systems

The results of numerical and analytical studies of the influence of a constant magnetic field on the dynamics of the thermal motion of charged particles in an isotropic electrostatic trap are presented. Simulations were performed for cluster systems of particles with Coulomb interaction in a wide range of their parameters. The analysis of the spectral density of displacement of particles and mass transfer processes in simulated ensembles is performed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

X-pinch. Part II

Results of experimental studies of the X-pinch since its invention and implementation in 1982 at the Lebedev Physical Institute are presented. The review consists of two parts. The first part briefly outlines the history of creation and studies of X-pinches, describes the diagnostic techniques and devices developed during these studies, and presents the main results obtained in studying the physical processes occurring in the X-pinch. The second part is devoted to the results of detailed studies of the spatial, temporal, and spectral characteristics of the X-pinch hot spot—the region where the highest plasma parameters are achieved and which is a source of X-ray emission with extreme parameters. Some results of X-pinch simulations are also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The sizes of globular clusters as tracers of galactic halo potentials

We present N-body simulations of globular clusters, exploring the effect of different galactic potentials on cluster sizes, r{sub h}. For various galactocentric distances, R{sub G}, we assess how cluster sizes change when we vary the virial mass and concentration of the host galaxy’s dark-matter halo. We show that sizes of GCs are determined by the local galactic mass density rather than the virial mass of the host galaxy. We find that clusters evolving in the inner halos of less concentrated galaxies are significantly more extended than those evolving in more concentrated ones, while the sizes of those orbiting in the outer halo are almost independent of concentration. Adding a baryonic component to our galaxy models does not change these results much, since its effect is only significant in the very inner halo. Our simulations suggest that there is a relation between r{sub h} and R{sub G}, which systematically depends on the physical parameters of the halo. Hence, observing such relations in individual galaxies can put a new observational constraint on dark-matter halo characteristics. However, by varying the halo mass in a wide range of 10{sup 9}⩽M{sub vir}/M{sub ⊙}⩽10{sup 13}, we find that the r{sub h} − R{sub G} relationship will be nearly independent of halo mass, if one assumes M{sub vir} and c{sub vir} as two correlated parameters, as is suggested by cosmological simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Magnetoacoustic Waves in a Stratified Atmosphere with a Magnetic Null Point

We perform nonlinear MHD simulations to study the propagation of magnetoacoustic waves from the photosphere to the low corona. We focus on a 2D system with a gravitationally stratified atmosphere and three photospheric concentrations of magnetic flux that produce a magnetic null point with a magnetic dome topology. We find that a single wavepacket introduced at the lower boundary splits into multiple secondary wavepackets. A portion of the packet refracts toward the null owing to the varying Alfvén speed. Waves incident on the equipartition contour surrounding the null, where the sound and Alfvén speeds coincide, partially transmit, reflect, and mode-convert between branches of the local dispersion relation. Approximately 15.5% of the wavepacket’s initial energy ( E {sub input}) converges on the null, mostly as a fast magnetoacoustic wave. Conversion is very efficient: 70% of the energy incident on the null is converted to slow modes propagating away from the null, 7% leaves as a fast wave, and the remaining 23% (0.036 E {sub input}) is locally dissipated. The acoustic energy leaving the null is strongly concentrated along field lines near each of the null’s four separatrices. The portion of the wavepacket that refracts toward the null, and the amount of current accumulation, depends on the vertical and horizontal wavenumbers and the centroid position of the wavepacket as it crosses the photosphere. Regions that refract toward or away from the null do not simply coincide with regions of open versus closed magnetic field or regions of particular field orientation. We also model wavepacket propagation using a WKB method and find that it agrees qualitatively, though not quantitatively, with the results of the numerical simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Dynamics of Inhomogeneous Dark Energy

In this paper, by analyzing the dynamics of inhomogeneous quintessence dark energy, we find that the gradient energy of dark energy will oscillate and gradually vanish, which indicates the gradient energy of the scalar field present in the early universe does not affect the current dynamics of the universe. Moreover, with the decaying of gradient energy, there exists a possible mutual transformation between kinetic energy and gradient energy. In the framework of interacting dark energy models, we argue that inhomogeneous dark energy may have a significant effect on the evolution of the cosmic background, the investigation of which still requires fully relativistic N -body numerical simulations in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Magnetic Flux Rope Identification and Characterization from Observationally Driven Solar Coronal Models

Formed through magnetic field shearing and reconnection in the solar corona, magnetic flux ropes are structures of twisted magnetic field, threaded along an axis. Their evolution and potential eruption are of great importance for space weather. Here we describe a new methodology for the automated detection of flux ropes in simulated magnetic fields, utilizing field-line helicity. Our Flux Rope Detection and Organization (FRoDO) code, which measures the magnetic flux and helicity content of pre-erupting flux ropes over time, as well as detecting eruptions, is publicly available. As a first demonstration, the code is applied to the output from a time-dependent magnetofrictional model, spanning 1996 June 15–2014 February 10. Over this period, 1561 erupting and 2099 non-erupting magnetic flux ropes are detected, tracked, and characterized. For this particular model data, erupting flux ropes have a mean net helicity magnitude of 2.66×10{sup 43} Mx{sup 2}, while non-erupting flux ropes have a significantly lower mean of 4.04×10{sup 42} Mx{sup 2}, although there is overlap between the two distributions. Similarly, the mean unsigned magnetic flux for erupting flux ropes is 4.04×10{sup 21} Mx, significantly higher than the mean value of 7.05×10{sup 20} Mx for non-erupting ropes. These values for erupting flux ropes are within the broad range expected from observational and theoretical estimates, although the eruption rate in this particular model is lower than that of observed coronal mass ejections. In the future, the FRoDO code will prove to be a valuable tool for assessing the performance of different non-potential coronal simulations and comparing them with observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

9-D polarized proton transport in the MEIC figure 8 collider ring - first steps

Spin tracking studies in the MEIC figure-8 collider ion ring are presented, based on a very preliminary design of the lattice. They provide numerical illustrations of some of the aspects of the figure-8 concept, including spin-rotator based spin control, and lay out the path towards a complete spin tracking simulation of a figure-8 ring.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Development of neural network force fields for corrosion studies

To fully understand the chemistry and physics of corrosion, novel methods of simulation must be developed. One approach is designing machine learning (ML) algorithms integrated with density functional theory to develop adaptive force fields to gain insight into corrosion behavior namely at the surface of metal oxides. Current methods of modeling corrosion are slow due to the computational cost of resolving both reaction mechanics and mass transport processes. Machine learning methods can be implemented to obtain structure-activity relationships at both the molecular and bulk scale while still retaining the accuracy of density functional theory (DFT) and significantly decreasing the time needed for simulations of complex chemical processes in the various environments of corrosion. Multiscale models are needed for corrosion studies to fully understand its processes not only at the atomic length scale (chemical bonding, energies, and forces), but also at the nano and meso length scales (solid-state physics and material science processes). Current methods of study include DFT, molecular dynamics, and Monte Carlo. The limitation of DFT is that only a small number of atoms or molecules can be simulated at that level of theory. Density functional theory is used to study the electronic structure of atoms and molecules, and calculate the force component of each atom. However, these calculations are limited to about 1000 atoms. Custom periodic boundary conditions (PBC) can be used to describe the various environments and defects that affect the atomic forces to produce a large data set from which a training set can be derived. Machine learning can be utilized to overcome the barrier of modeling macroscopic and multi-scale processes from ab initio calculations through the development of adaptive force fields. Local environments determine the atomic forces of a given system, therefore adaptive force fields must be created to produce reliable quantum mechanical calculations. This can be achieved by developing a learning algorithm that uses the mapped atomic forces or fingerprint as an input to produce energies and magnetic moments as output. A systematic approach was used to begin to build a data set in order to accurately describe the atomic forces in various environments. In Figure 4 below, a simple PBC cell of Fe{sub 2}O{sub 3} was first optimized. A surface optimization was performed next, followed by a hydroxylated surface optimization. Once this calculation has converged, the adsorption of halide species to the hydroxylated surface will be investigated. TensorFlow is an open source platform for machine learning developed by Google. Using a high level application program interface (API) such as Keras allows for building and training ML models easily in a number of different environments and languages. For this project, a neural network was developed within Anaconda in Python. Future Work: Further development of reference data set; Refining neural network and learning algorithm; Fingerprinting atomic environment to enable mapping of atomic force components; Choosing appropriate training set from reference data; Learning from training set and enabling non-linear mapping of training set fingerprints and the atomic forces; Estimation of uncertainty to identify ranges of outside applicability; Testing and analysis of molecular dynamic simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design of Circular, Square, Single, and Multi-layer Induction Coils for Electromagnetic Priming Using Inductance Estimates

Special induction coils used for electro magnetic priming of ceramic foam filters in liquid metal filtration have been designed using a combination of analytical and finite element modeling. Relatively simple empirical equations published by Wheeler in 1928 and 1982 have been used during the design process. The equations were found to accurately predict the z-component of the magnetic flux densities of both single- and multi-layer coils as verified both experimentally and by using COMSOL{sup ®} 5.1 multiphysics simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A novel proof of the DFT formula for the interatomic force field of Molecular Dynamics

We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Mean-field construction for spectrum of one-dimensional Bose polaron

Highlights: •An efficient path-integral formulation of the Bose polaron problem is proposed. •The spectrum of an impurity moving in 1D Bose gas is given by analytic formula. •The effective-mass approximation reproduces well the exact Bose polaron spectrum. -- Abstract: The full momentum dependence of spectrum of a point-like impurity immersed in a dilute one-dimensional Bose gas is calculated on the mean-field level. In particular we elaborate, to the finite-momentum Bose polaron, the path-integral approach whose semi-classical approximation leads to the conventional mean-field treatment of the problem while quantum corrections can be easily accounted by standard loop expansion techniques. The extracted low-energy parameters of impurity spectrum, namely, the binding energy and the effective mass of particle, are shown to be in qualitative agreement with the results of quantum Monte Carlo simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

GeoMicro3D: A novel numerical model for simulating the reaction process and microstructure formation of alkali-activated slag

Highlights: • The GeoMicro3D model was innovatively developed for simulating the reaction process and microstructure formation of AAS. • In GeoMicro3D, the dissolution of slag and reactions of aqueous ions are fundamentally described in the local lattice cell. • A novel approach is proposed to speed up the nucleation simulations. • GeoMicro3D was implemented and verified with the relevant experimental data and thermodynamic calculation results. For the first time, this study developed a novel model, named GeoMicro3D, to simulate the reaction process and microstructure formation of alkali-activated slag. The GeoMicro3D model consists of four modules that are designed to simulate, respectively: (i) the initial spatial distribution of real-shape slag particles in alkaline activator, (ii) the dissolution of slag and diffusion of ions via the transition state theory and lattice Boltzmann method, respectively, (iii) the spatial distribution of reaction products using a nucleation probability theory, and (iv) the chemical reactions with thermodynamic modelling. Afterwards the GeoMicro3D model was implemented and verified. The simulation results were discussed and compared with the relevant experimental data and thermodynamic calculation results using GEMS. A good agreement was found in the comparisons, showing the strong simulation capability of GeoMicro3D.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Extended coherence length of spatially oscillating electron-spin polarization in dilute-magnetic-semiconductor quantum wells

We have investigated the possibility that the coherence length of spatially oscillating electron-spin polarization is improved in dilute magnetic semiconductors. In usual nonmagnetic quantum wells, the spin polarization of the electrons injected from a ferromagnetic source electrode oscillates spatially because of the spin precession due to spin-orbit effective magnetic fields, i.e., the Rashba and Dresselhaus fields. However, the polarization is damped within an oscillation period by the D’yakonov-Perel’ spin relaxation. In paramagnetic dilute magnetic semiconductors, impurity spin polarization is induced under the electron-spin polarization, and this impurity polarization influences the electron-spin precession and possibly improves the spatial electron-spin coherence. The validity of this effect is demonstrated by a numerical simulation for a CdMnTe quantum well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗