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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Monte Carlo implementation of a guiding-center Fokker-Planck kinetic equation

A Monte Carlo method for the collisional guiding-center Fokker-Planck kinetic equation is derived in the five-dimensional guiding-center phase space, where the effects of magnetic drifts due to the background magnetic field nonuniformity are included. It is shown that, in the limit of a homogeneous magnetic field, our guiding-center Monte Carlo collision operator reduces to the guiding-center Monte Carlo Coulomb operator previously derived by Xu and Rosenbluth [Phys. Fluids B 3, 627 (1991)]. Applications of the present work will focus on the collisional transport of energetic ions in complex nonuniform magnetized plasmas in the large mean-free-path (collisionless) limit, where magnetic drifts must be retained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

MERIDIONAL FLOW IN THE SOLAR CONVECTION ZONE. II. HELIOSEISMIC INVERSIONS OF GONG DATA

Meridional flow is thought to play a very important role in the dynamics of the solar convection zone; however, because of its relatively small amplitude, precisely measuring it poses a significant challenge. Here we present a complete time–distance helioseismic analysis of about 2 years of ground-based Global Oscillation Network Group (GONG) Doppler data to retrieve the meridional circulation profile for modest latitudes in an attempt to corroborate results from other studies. We use an empirical correction to the travel times due to an unknown center-to-limb systematic effect. The helioseismic inversion procedure is first tested and reasonably validated on artificial data from a large-scale numerical simulation followed by a test to broadly recover the solar differential rotation found from global seismology. From GONG data, we measure poleward photospheric flows at all latitudes with properties that are comparable with earlier studies and a shallow equatorward flow about 65 Mm beneath the surface, in agreement with recent findings from Helioseismic and Magnetic Imager (HMI) data. No strong evidence of multiple circulation cells in depth or latitude is found, yet the whole phase space has not yet been explored. Tests of mass flux conservation are then carried out on the inferred GONG and HMI flows and compared to a fiducial numerical baseline from models, and we find that the continuity equation is poorly satisfied. While the two disparate data sets do give similar results for about the outer 15% of the interior radius, the total inverted circulation pattern appears to be unphysical in terms of mass conservation when interpreted over modest time scales. We can likely attribute this to both the influence of realization noise and subtle effects in the data and measurement procedure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Comparison of toroidicity-induced Alfvén eigenmodes and energetic particle modes by gyrokinetic particle simulations

This work reports on linear global gyrokinetic particle simulations of the excitation of toroidicity-induced Alfvén eigenmodes (TAE) and energetic particle modes (EPM), and the comparison between these two modes. The TAE excitation by antenna clarifies the magnetohydrodynamic (MHD) mode structure and the discrete eigenmode exists in the gap between the upper and lower accumulation points. The TAE excitation by fast ions modifies the MHD mode structure because of radial symmetry breaking and the eigenmode frequency moves towards the lower accumulation point. The phase space structure of fast ions shows that both passing and trapped particles contribute to the TAE excitation and that trapped particles dominate the wave-particle resonance in our simulations. The growth rate of TAE is sensitive to the fast ion energy, density, and density gradient, which are also important factors contributing to the transition of the TAE to the EPM. The gyrokinetic particle simulations also confirm the excitation of EPM when the drive is stronger. The frequency of the EPM is determined by the characteristic frequencies of fast ion motion in toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Evolutionary Phases of Gas-rich Galaxies in a Galaxy Cluster at z = 1.46

We report a survey of molecular gas in galaxies in the XMMXCS J2215.9–1738 cluster at z = 1.46. We have detected emission lines from 17 galaxies within a radius of R {sub 200} from the cluster center, in Band 3 data of the Atacama Large Millimeter/submillimeter Array, with a coverage of 93–95 GHz in frequency and 2.33 arcmin{sup 2} in spatial direction. The lines are all identified as CO J = 2–1 emission lines from cluster members at z∼1.46 by their redshifts and the colors of their optical and near-infrared (NIR) counterparts. The line luminosities reach down to L{sub CO(2--1)}{sup ′}=4.5×10{sup 9} K km s{sup −1} pc{sup 2}. The spatial distribution of galaxies with a detection of CO(2–1) suggests that they disappear from the very center of the cluster. The phase-space diagram showing relative velocity versus cluster-centric distance indicates that the gas-rich galaxies have entered the cluster more recently than the gas-poor star-forming galaxies and passive galaxies located in the virialized region of this cluster. The results imply that the galaxies experienced ram-pressure stripping and/or strangulation during the course of infall toward the cluster center and then the molecular gas in the galaxies at the cluster center was depleted by star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Gyro-viscosity and linear dispersion relations in pair-ion magnetized plasmas

A fluid theory has been developed by taking account of gyro-viscosity to study wave propagation characteristics in a homogeneous pair-ion magnetized plasma with a cylindrical symmetry. The exact dispersion relations derived by the Hankel-Fourier transformation are shown comparable with those observed in the experiment by Oohara and co-workers. The gyro-viscosity is responsible for the change in propagation characteristics of the ion cyclotron wave from forward to backward by suppressing the effect of the thermal pressure which normally causes the forward nature of dispersion. Although the experiment has been already explained by a kinetic theory by the present authors, the kinetic derivations are so involved because of exact particle orbits in phase space, finite Lamor radius effects, and higher order ion cyclotron resonances. The present fluid theory provides a simple and transparent structure to the dispersion relations since the gyro-viscosity is renormalized into the ion cyclotron frequency which itself indicates the backward nature of dispersion. The usual disadvantage of a fluid theory, which treats only fundamental modes of eigen-waves excited in a system and is not able to describe higher harmonics that a kinetic theory does, is compensated by simple derivations and clear picture based on the renormalization of the gyro-viscosity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential energy distortions encountered in constrained ICMD simulations of peptide molecules.

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

Unveiling the Electrocatalytic Hydrogen Evolution Reaction Pathway on RuP 2 through Ab Initio Grand Canonical Monte Carlo

In this study, the high catalytic reactivity of ruthenium phosphide (RuP 2 ) has been identified by first-principles density functional theory (DFT) calculations for the electrocatalytic hydrogen evolution reaction (HER). Complex surface reconstructions are considered by applying the ab initio grand canonical Monte Carlo (ai-GCMC) algorithm, efficiently providing a sufficient phase-space exploration of possible surfaces. Combined with surface-phase Pourbaix diagrams, we are able to identify the actual surfaces that obtained under specific experimental environments, thus leading to a more accurate understanding of the nature of the active sites and the binding strength of adsorbates. Specifically, through hundreds of surface reconstructions and hydrogenation states generated with ai-GCMC, we identify the most favorable surface phases of RuP 2 under aqueous acidic conditions. We discover that the HER activity is determined by multiple surfaces with different stoichiometries within a narrow electrode potential window. Low HER overpotential (η) has been found for each of the identified surfaces, as low as 0.04 V. High H-coverage reconstructed surfaces have been discovered under acidic conditions, and the surface Ru sites introduced by additional Ru adatoms or exposed by P-vacancies serve as the active sites for HER based on their nearly reversible H binding. Furthermore, this work provides atomistic insights into the origin of high HER activity on RuP 2 by exploring the dynamic surface phases of electrocatalysts and features a generalizable method to explore the reconstructed/hydrogenated surface space as a function of experimental conditions.

25 ENERGY STORAGE↗
DOE OSTI2016

Oscillating plasma bubble and its associated nonlinear studies in presence of low magnetic field

Oscillating plasma bubbles have been created around a cylindrical mesh grid of 75% optical transparency in a DC plasma system with a low magnetic field. Plasma bubbles are created by developing ion density gradient around a cylindrical grid of 20 cm in diameter and 25 cm in height, inserted into the plasma. Relaxation and contraction of the plasma bubbles in the presence of external conditions, such as magnetic field and pressure, have been studied. A Langmuir probe has been used to detect the plasma floating potential fluctuations at different imposed experimental conditions. Nonlinear behavior of the system has been characterized by adopting nonlinear techniques such as Fast Fourier Transform, Phase Space Plot, and Recurrence Plot. It shows that the system creates highly nonlinear phenomena associated with the plasma bubble under the imposed experimental conditions. A theoretical and numerical model has also been developed to satisfy the observed experimental analysis. Moreover, observations are extended further to study the growth of instability associated with the plasma bubbles. The intention of the present work is to correlate the findings about plasma bubbles and their related instability with the one existing in the equatorial F-region of the ionosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Organization and identification of solutions in the time-delayed Mackey-Glass model

Multistability in the long term dynamics of the Mackey-Glass (MG) delayed model is analyzed by using an electronic circuit capable of controlling the initial conditions. The system's phase-space is explored by varying the parameter values of two families of initial functions. The evolution equation of the electronic circuit is derived and it is shown that, in the continuous limit, it exactly corresponds to the MG model. In practice, when using a finite set of capacitors, an excellent agreement between the experimental observations and the numerical simulations is manifested. As the delay is increased, different periodic or aperiodic solutions appear. We observe abundant periodic solutions that have the same period but a different alternation of peaks of dissimilar amplitudes and propose a novel symbolic method to classify these solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Characterisation of the PXIE Allison-type emittance scanner

An Allison-type emittance scanner has been designed for PXIE at FNAL with the goal of providing fast and accurate phase space reconstruction. The device has been modified from previous LBNL/SNS designs to operate in both pulsed and DC modes with the addition of water-cooled front slits. Extensive calibration techniques and error analysis allowed confinement of uncertainty to the <5% level (with known caveats). With a 16-bit, 1 MHz electronics scheme the device is able to analyse a pulse with a resolution of 1 μs, allowing for analysis of neutralisation effects. As a result, this paper describes a detailed breakdown of the R&D, as well as post-run analysis techniques.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

TU-F-CAMPUS-T-05: A Cloud-Based Monte Carlo Dose Calculation for Electron Cutout Factors

Purpose: For electron cutouts of smaller sizes, it is necessary to verify electron cutout factors due to perturbations in electron scattering. Often, this requires a physical measurement using a small ion chamber, diode, or film. The purpose of this study is to develop a fast Monte Carlo based dose calculation framework that requires only a smart phone photograph of the cutout and specification of the SSD and energy to determine the electron cutout factor, with the ultimate goal of making this cloud-based calculation widely available to the medical physics community. Methods: The algorithm uses a pattern recognition technique to identify the corners of the cutout in the photograph as shown in Figure 1. It then corrects for variations in perspective, scaling, and translation of the photograph introduced by the user’s positioning of the camera. Blob detection is used to identify the portions of the cutout which comprise the aperture and the portions which are cutout material. This information is then used define physical densities of the voxels used in the Monte Carlo dose calculation algorithm as shown in Figure 2, and select a particle source from a pre-computed library of phase-spaces scored above the cutout. The electron cutout factor is obtained by taking a ratio of the maximum dose delivered with the cutout in place to the dose delivered under calibration/reference conditions. Results: The algorithm has been shown to successfully identify all necessary features of the electron cutout to perform the calculation. Subsequent testing will be performed to compare the Monte Carlo results with a physical measurement. Conclusion: A simple, cloud-based method of calculating electron cutout factors could eliminate the need for physical measurements and substantially reduce the time required to properly assure accurate dose delivery.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Cooperative emission from an ensemble of three-level Λ radiators in a cavity: An insight from the viewpoint of dynamics of nonlinear systems

Cooperative radiation emitted by an ensemble of three-level optical systems with a doublet in the ground state (Λ scheme), which is placed into a cyclic cavity, is studied theoretically. In contrast to the two-level model of emitters, this process with such a configuration of operating transitions may occur without population inversion in the whole, if the doublet is prepared at the initial instant in a superposition (coherent) state. In the ideal case of a Hamilton system, in which the cavity losses and relaxation in the radiator ensemble are disregarded, the conservation laws are derived, which allow a substantial reduction of the dimension of the phase space of the model (ℝ{sup 11} → ℝ{sup 5}) and the application of methods of dynamics of nonlinear systems for analyzing the three-level superradiance under these conditions. The possibility of different (both quasiperiodic and chaotic) scenarios of the three-level superradiance is demonstrated on the basis of Poincaré’s mappings. Global bifurcation of the system upon a transition from the conventional superradiance regime to inversionless one is revealed. The effects of cavity losses, as well as homogeneous and inhomogeneous broadening in the system of radiators on the regularities found are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Particle in cell simulations of Buneman instability of a current-driven plasma with q-nonextensive electron velocity distribution

The nonlinear evolution of low frequency Buneman instability in an unmagnetized current-driven plasma with q-nonextensive electron velocity distribution is investigated using particle in cell simulation. Simulation results show that the generation of electron phase space holes and the counter-streaming current induced in the plasma strongly depend on the q-parameter. It is found that by increasing the nonextensive parameter, the distribution of electron density becomes highly peaked. This density steepening or grating-like pattern occurs at the saturation time. In addition, a generalized dispersion relation is obtained using the kinetic theory. Analysis of the dispersion relation and the temporal evolution of the electric field energy density reveal that the growth rate of instability increases by increasing the q-parameter. Finally, the results of Maxwellian and q-nonextensive velocity distributions have been compared and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

The Random Ray Method for neutral particle transport

A new approach to solving partial differential equations (PDEs) based on the method of characteristics (MOC) is presented. The Random Ray Method (TRRM) uses a stochastic rather than deterministic discretization of characteristic tracks to integrate the phase space of a problem. TRRM is potentially applicable in a number of transport simulation fields where long characteristic methods are used, such as neutron transport and gamma ray transport in reactor physics as well as radiative transfer in astrophysics. In this study, TRRM is developed and then tested on a series of exemplar reactor physics benchmark problems. The results show extreme improvements in memory efficiency compared to deterministic MOC methods, while also reducing algorithmic complexity, allowing for a sparser computational grid to be used while maintaining accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Updated kinematic constraints on a dark disk

We update the method of the Holmberg and Flynn study, including an updated model of the Milky Way’s interstellar gas, radial velocities, an updated reddening map, and a careful statistical analysis, to bound the allowed surface density and scale height of a dark disk. We pay careful attention to the self-consistency of the model, including the gravitational influence of the dark disk on other disk components, and to the net velocity of the tracer stars. We find that the data set exhibits a non-zero bulk velocity in the vertical direction as well as a displacement from the expected location at the Galactic midplane. If not properly accounted for, these features would bias the bound toward low dark disk mass. We therefore perform our analysis two ways. In the first, using the traditional method, we subtract the mean velocity and displacement from the tracers’ phase space distributions. In the second method, we perform a non-equilibrium version of the HF method to derive a bound on the dark disk parameters for an oscillating tracer distribution. Despite updates in the mass model and reddening map, the traditional method results remain consistent with those of HF2000. The second, non-equilibrium technique, however, allows a surface density as large as 14 M{sub ⊙} pc{sup −2} (and as small as 0 M{sub ⊙} pc{sup −2}), demonstrating much weaker constraints. For both techniques, the bound on surface density is weaker for larger scale height. In future analyses of Gaia data it will be important to verify whether the tracer populations are in equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Anomalous Galactic Dynamics by Collusion of Rindler and Cosmological Horizons

In holography, the dimensional reduction of phase space to two dimensions defines a dynamical dark energy of Λ=(1−q)H{sup 2}, associated with the cosmological horizon at a Hubble radius of R{sub H}=c/H, and inertia m of baryonic matter at acceleration α in terms of a thermodynamic potential U=mc{sup 2} of Rindler horizons at ξ=c{sup 2}/α. Here, H is the Hubble parameter with deceleration q and c is the velocity of light. In weak gravity, m drops below Newton’s value m {sub 0} as α 2.5) versus ΛCDM (Q{sub 0}<1) and establish a bound of 10{sup −30} eV on the mass of the putative dark matter particle with clustering limited to galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Surface spins enhanced magnetoelectric coefficient and impedance spectroscopy of BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} nanorods

Highlights: • Multiferroic Fe-doped BaTiO{sub 3} nanorods. • Sol–gel. • Magnetoelectric coefficient. • Transmission electron microscopy. • Cole–Cole plots. - Abstract: Multiferroic BaFe{sub 0.01}Ti{sub 0.99}O{sub 3} (BFT1) and BaFe{sub 0.015}Ti{sub 0.985}O{sub 3} (BFT15) nanorods were prepared by a sol–gel synthesis and annealed at 700 °C/2 h. The tetragonal phase and nano dimensions of BFT samples are identified by X-ray diffraction and transmission electron microscopy. The enhancement in ferroelectricity depends upon low porosity, tetragonal phase, space charge field, larger surface area and oriented growth. The ferromagnetism depends upon partially filled inner shells, surface spins and oxygen vacancies. The magnetoelectric coefficient is explained on the basis of surface spins, short-range interactions near surface boundary, compressive stress and twin structure contributed by nano grains which can reside stress near grain boundaries. The frequency dependent real (Z′) and imaginary (Z″) parts of impedance spectra are confirmed by the variations that observed in dielectric properties. The values of resistance of grain boundaries, R{sub gb} is higher than grains, R{sub g} indicating that the effect of grain boundaries is dominant in BFT nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Integrable Variable Dissipation Systems on the Tangent Bundle of a Multi-Dimensional Sphere and Some Applications

This paper is a survey of integrable cases in dynamics of a multi-dimensional rigid body under the action of a nonconservative force field. We review both new results and results obtained earlier. Problems examined are described by dynamical systems with so-called variable dissipation with zero mean. The problem of the search for complete sets of transcendental first integrals of systems with dissipation is quite topical; a large number of works are devoted to it. We introduce a new class of dynamical systems that have a periodic coordinate. Due to the existence of nontrivial symmetry groups of such systems, we can prove that these systems possess variable dissipation with zero mean, which means that on the average for a period with respect to the periodic coordinate, the dissipation in the system is equal to zero, although in various domains of the phase space, either energy pumping or dissipation can occur. Based on the facts obtained, we analyze dynamical systems that appear in the dynamics of a multi-dimensional rigid body and obtain a series of new cases of complete integrability of the equations of motion in transcendental functions, which can be expressed through a finite combination of elementary functions. As applications, we study dynamical equations of motion arising in the study of the plane and spatial dynamics of a rigid body interacting with a medium and also a possible generalization of the obtained methods to the study of general systems arising in the qualitative theory of ordinary differential equations, in the theory of dynamical systems, and also in oscillation theory.

97 MATHEMATICS AND COMPUTING↗