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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

THE GRAVITATIONAL POTENTIAL NEAR THE SUN FROM SEGUE K-DWARF KINEMATICS

To constrain the Galactic gravitational potential near the Sun ({approx}1.5 kpc), we derive and model the spatial and velocity distributions for a sample of 9000 K-dwarfs with spectra from SDSS/SEGUE, which yield radial velocities and abundances ([Fe/H] and [{alpha}/Fe]). We first derive the spatial density distribution for three abundance-selected sub-populations of stars accounting for the survey's selection function. The vertical profiles of these sub-populations are simple exponentials and their vertical dispersion profile is nearly isothermal. To model these data, we apply the 'vertical' Jeans equation, which relates the observable tracer number density and vertical velocity dispersion to the gravitational potential or vertical force. We explore a number of functional forms for the vertical force law, fit the dispersion and density profiles of all abundance-selected sub-populations simultaneously in the same potential, and explore all parameter co-variances using a Markov Chain Monte Carlo technique. Our fits constrain a disk mass scale height {approx}< 300 pc and the total surface mass density to be 67 {+-} 6 M{sub Sun} pc{sup -2} at |z| = 1.0 kpc of which the contribution from all stars is 42 {+-} 5 M{sub Sun} pc{sup -2} (assuming a contribution from cold gas of 13 M{sub Sun} pc{sup -2}). We find significant constraints on the local dark matter density of 0.0065 {+-} 0.0023 M{sub Sun} pc{sup -3} (0.25 {+-} 0.09 GeV cm{sup -3}). Together with recent experiments this firms up the best estimate of 0.0075 {+-} 0.0021 M{sub Sun} pc{sup -3} (0.28 {+-} 0.08 GeV cm{sup -3}), consistent with global fits of approximately round dark matter halos to kinematic data in the outskirts of the Galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Real-space atomic dynamics in metallic liquids investigated by inelastic neutron scattering

Understanding the dynamics of liquids at the atomic level remains a major challenge. Even though viscosity is one of the most fundamental properties of liquids, its atomistic origin is not fully elucidated. Through inelastic neutron scattering experiment on levitated metallic liquid droplets, the time-dependent pair correlation function, the Van Hove function, was determined for Z⁢r 50 ⁢C⁢u 50 and Z⁢r 80 ⁢P⁢t 20 liquids at various temperatures. The time for change in local atomic connectivity, τ LC , which is the timescale of atomic bond cutting and forming, is estimated based on the exponential decay of the nearest neighbor peak of the Van Hove function. At high temperatures above the crossover temperature T A , τ LC is equal to the Maxwell relaxation time, τ M =η/G ∞ , where η is the macroscopic shear viscosity and G ∞ is the high-frequency shear modulus. Below T A the ratio of τ M /τ LC increases with decreasing temperature, indicating increased atomic cooperativity as predicted by molecular dynamics simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

The mass function of clusters of galaxies

The mass function of clusters of galaxies is derived separately from optical and X-ray observations of their respective properties. The mass function was extended to the faint end, to lower masses than the rich clusters, using small groups of galaxies. The derived mass function is within the mass range from approximately 10 exp 12 to not less than 10 exp 15/h solar masses. The deduced density range n is approximately 10 exp -2 to 10 exp -8 cubic h/cubic Mpc. The observed shape of the mass function exhibits a shallow power-law decrease with mass at the faint end, and a steep exponential decrease with mass at the massive end. A summary of some constraints placed by the observed mass function on current cosmological models is presented.

Bahcall, Neta A.↗
DOE OSTI2018

A maximum entropy principle for inferring the distribution of 3D plasmoids

The principle of maximum entropy, a powerful and general method for inferring the distribution function given a set of constraints, is applied to deduce the overall distribution of 3D plasmoids (flux ropes/tubes) for systems where resistive MHD is applicable and large numbers of plasmoids are produced. The analysis is undertaken for the 3D case, with mass, total flux, and velocity serving as the variables of interest, on account of their physical and observational relevance. The distribution functions for the mass, width, total flux, and helicity exhibit a power-law behavior with exponents of -4/3, -2, -3, and -2, respectively, for small values, whilst all of them display an exponential falloff for large values. In contrast, the velocity distribution, as a function of v=|v|, is shown to be flat for v→0, and becomes a power law with an exponent of -7/3 for v→∞. Most of these results are nearly independent of the free parameters involved in this specific problem. In conclusion, a preliminary comparison of our results with the observational evidence is presented, and some of the ensuing space and astrophysical implications are briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1997

Exponential Approximations Using Fourier Series Partial Sums

The problem of accurately reconstructing a piece-wise smooth, 2(pi)-periodic function f and its first few derivatives, given only a truncated Fourier series representation of f, is studied and solved. The reconstruction process is divided into two steps. In the first step, the first 2N + 1 Fourier coefficients of f are used to approximate the locations and magnitudes of the discontinuities in f and its first M derivatives. This is accomplished by first finding initial estimates of these quantities based on certain properties of Gibbs phenomenon, and then refining these estimates by fitting the asymptotic form of the Fourier coefficients to the given coefficients using a least-squares approach. It is conjectured that the locations of the singularities are approximated to within O(N(sup -M-2), and the associated jump of the k(sup th) derivative of f is approximated to within O(N(sup -M-l+k), as N approaches infinity, and the method is robust. These estimates are then used with a class of singular basis functions, which have certain 'built-in' singularities, to construct a new sequence of approximations to f. Each of these new approximations is the sum of a piecewise smooth function and a new Fourier series partial sum. When N is proportional to M, it is shown that these new approximations, and their derivatives, converge exponentially in the maximum norm to f, and its corresponding derivatives, except in the union of a finite number of small open intervals containing the points of singularity of f. The total measure of these intervals decreases exponentially to zero as M approaches infinity. The technique is illustrated with several examples.

Banerjee, Nana S.↗
DOE OSTI2016

Spectral element method for elastic and acoustic waves in frequency domain

Numerical techniques in time domain are widespread in seismic and acoustic modeling. In some applications, however, frequency-domain techniques can be advantageous over the time-domain approach when narrow band results are desired, especially if multiple sources can be handled more conveniently in the frequency domain. Moreover, the medium attenuation effects can be more accurately and conveniently modeled in the frequency domain. In this paper, we present a spectral-element method (SEM) in frequency domain to simulate elastic and acoustic waves in anisotropic, heterogeneous, and lossy media. The SEM is based upon the finite-element framework and has exponential convergence because of the use of GLL basis functions. The anisotropic perfectly matched layer is employed to truncate the boundary for unbounded problems. Compared with the conventional finite-element method, the number of unknowns in the SEM is significantly reduced, and higher order accuracy is obtained due to its spectral accuracy. To account for the acoustic-solid interaction, the domain decomposition method (DDM) based upon the discontinuous Galerkin spectral-element method is proposed. Numerical experiments show the proposed method can be an efficient alternative for accurate calculation of elastic and acoustic waves in frequency domain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Raman shifts in electron-irradiated monolayer MoS 2

Here, we report how the presence of electron-beam-induced sulfur vacancies affects first-order Raman modes and correlate the effects with the evolution of the in situ transmission-electron microscopy (TEM) two-terminal conductivity of monolayer MoS 2 under electron irradiation. We observe a redshift in the E Raman peak and a less pronounced blueshift in the A' 1 peak with increasing electron dose. Using energy-dispersive X-ray spectroscopy (EDS), we show that irradiation causes partial removal of sulfur and correlate the dependence of the Raman peak shifts with S vacancy density (a few %), which is confirmed by first-principles density functional theory calculations. In situ device current measurements show exponential decrease in channel current upon irradiation. Our analysis demonstrates that the observed frequency shifts are intrinsic properties of the defective systems and that Raman spectroscopy can be used as a quantitative diagnostic tool to characterize MoS 2 -based transport channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Correspondence: Phantom phonon localization in relaxors

Manley et al. report the observation of an unexpected, weak, phonon mode located in energy between that of the transverse acoustic (TA) and soft transverse optic (TO) modes in the relaxor ferroelectric Pb[(Mg 1/3 Nb 2/3 ) 1-x Ti x ]O 3 (PMN-xPT) with Ti content x = 0.30. Referred to as the local mode (LM), the energy of this extra mode varies little with wave vector in the cubic (paraelectric) phase, and this was interpreted as evidence of phonon localization. Any excitation that is localized in space must be extended in reciprocal space Q. To confirm this property, we performed a standard test on a PMN-xPT single crystal of nominally identical composition. This was done by comparing the rates at which the Bragg, TA phonon, and LM neutron scattering cross-sections decrease as the cubic crystallographic [100] axis is tilted out of the horizontal scattering plane by rotating about the orthogonal [010] axis. We find that the LM cross section varies with tilt in a manner identical to that of the Bragg peak. A local mode with short-range spatial correlations that decay exponentially will exhibit a broad Lorentzian peak as a function of tilt. Instead, we observe a narrow Gaussian peak. We conclude that the LM is not a real mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A mechanism of Cu work function reduction in CsBr/Cu photocathodes

Thin films of CsBr deposited on Cu(100) have been proposed as next-generation photocathode materials for applications in particle accelerators and free-electron lasers. However, the mechanisms underlying an improved photocathode performance remain poorly understood. We present density Functional Theory (DFT) calculations of the work function reduction following the application of CsBr thin film coatings to Cu photocathodes. The effects of structure and van der Waals forces are examined. Calculations suggest that CsBr films can reduce the work function by around 1.5 eV, which would explain the exponential increase in quantum efficiency (QE) of coated vs. uncoated photocathodes. In conclusion, a model explaining experimentally observed laser activation of photocathode is provided whereby the photo-induced creation of di-vacancies at the surface, and their subsequent diffusion throughout the lattice and segregation at the interface leads to a further increase in QE after a period of laser irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rapidly convergent quantum Monte Carlo using a Chebyshev projector

The multireference coupled-cluster Monte Carlo (MR-CCMC) algorithm is a determinant-based quantum Monte Carlo (QMC) algorithm that is conceptually similar to Full Configuration Interaction QMC (FCIQMC). It has been shown to offer a balanced treatment of both static and dynamic correlation while retaining polynomial scaling, although application to large systems with significant strong correlation remained impractical. In this paper, we document recent algorithmic advances that enable rapid convergence and a more black-box approach to the multireference problem. These include a logarithmically scaling metric-tree-based excitation acceptance algorithm to search for determinants connected to the reference space at the desired excitation level and a symmetry-screening procedure for the reference space. We show that, for moderately sized reference spaces, the new search algorithm brings about an approximately 8-fold acceleration of one MR-CCMC iteration, while the symmetry screening procedure reduces the number of active reference space determinants with essentially no loss of accuracy. We also introduce a stochastic implementation of an approximate wall projector, which is the infinite imaginary time limit of the exponential projector, using a truncated expansion of the wall function in Chebyshev polynomials. Notably, this wall-Chebyshev projector can be used to accelerate any projector-based QMC algorithm. We show that it requires significantly fewer applications of the Hamiltonian to achieve the same statistical convergence. We benchmark these acceleration methods on the beryllium and carbon dimers, using initiator FCIQMC and MR-CCMC with basis sets up to cc-pVQZ quality.

Zhao, Zijun↗
DOE OSTI2015

Low-temperature dynamics of ferroelectric domains in PbZr{sub 0.3}Ti{sub 0.7}O{sub 3} epitaxial thin films studied by piezoresponse force microscopy

Dynamics of domain boundaries is expected to change drastically at low absolute temperatures but direct experimental information for this temperature range is still lacking. To clarify the mechanism of low-temperature domain dynamics, we studied the growth of ferroelectric domains in the temperature range 4.2–295 K using the out-of-plane piezoresponse mode of a cryogenic atomic force microscope (AFM). Nanoscale 180° domains were created in epitaxial PbZr{sub 0.3}Ti{sub 0.7}O{sub 3} films by applying short voltage pulses between the conductive AFM tip brought into contact with the bare film surface and the bottom LaSr{sub 0.7}Mn{sub 0.3}O{sub 3} electrode. A quantitative analysis of acquired piezoresponse images enabled us to determine the in-plane domain size as a function of the writing voltage and pulse duration. It is found that at all studied temperatures the dependence of this size on the pulse duration can be fitted by a logarithmic function, which indicates that the domain-wall velocity exponentially depends on the driving electric field. The theoretical analysis of experimental data shows that the observed low-temperature domain dynamics is consistent with the creep of domain boundaries occurring in the presence of defects and structural nanoheterogeneities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Numerical evaluation of two-center integrals over Slater type orbitals

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Atomic Gaussian type orbitals and their Fourier transforms via the Rayleigh expansion

Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In the Fourier transform method (FTM), basis functions have not simplicity to make mathematical operations, but their Fourier transforms are easier to use. In this work, with the help of FTM, Rayleigh expansion and some properties of unnormalized GTOs, we present new mathematical results for the Fourier transform of GTOs in terms of Laguerre polynomials, hypergeometric and Whittaker functions. Physical and analytical properties of GTOs are discussed and some numerical results have been given in a table. Finally, we compare our mathematical results with the other known literature results by using a computer program and details of evaluation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Observational constraints in scalar tensor theory with tachyonic potential

We study the dynamics of the scalar tensor cosmological model in the presence of tachyon field. In an alternative approach, in two exponential and power law form of the scalar field functions in the model, field equations are solved by simultaneously best fitting the model parameters with the most recent observational data. This approach gives us an observationally verified interpretation of the dynamics of the universe. We then discuss the best fitted of equation of state parameter, the statefinder parameters and the reconstructed scalar field in the model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Determination of the beam quality index of high-energy photon beams under nonstandard reference conditions

Purpose: At some modern radiotherapy machines it is not possible to achieve reference conditions for the measurement of beam quality indices used in dosimetry codes of practice, such as IAEA TRS-398 and AAPM TG-51. This work aims at providing self-consistent and simpler expressions and more accurate fits for a limited range of beams of interest than have been proposed previously for deriving these beam quality indices from measurements. Methods: The starting point is a formula proposed by Sauer [Med. Phys. 36, 4168-4172 (2009)] for deriving the beam quality index used in IAEA TRS-398, TPR{sub 20,10}, from a measurement of the tissue phantom ratio at depths of 20 cm and 10 cm in water for an s Multiplication-Sign s cm{sup 2} (equivalent) square field, TPR{sub 20,10}(s). First, a self-consistent version of this formula is established followed by a simpler version by making a linear approximation. A similar approach is proposed to derive the beam quality index used in AAPM TG-51, %dd(10){sub X}, from a measurement of PDD{sub 10}(s), the percentage depth dose at 10 cm for a square field with size s. All models were fitted to subsets of relevant data from BJR supplement 25. Results: The linear models for TPR{sub 20,10}(s) and exponential models for PDD{sub 10}(s) as a function of the (equivalent) square field size can reproduce the beam quality within 0.3% and beam quality correction factors within 0.05% for square field sizes ranging from 4 cm to 12 cm and nominal photon energies from 4 MV to 12 MV. For higher energy beams the errors are only slightly worse but for %dd(10){sub X}, an additional uncertainty component has to be considered for the electron contamination correction. Conclusions: The models proposed here can be used in practical recommendations for the dosimetry of small and nonstandard fields.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

A Century of Synergy in Termite Symbiosis Research: Linking the Past with New Genomic Insights

Termites have long been studied for their symbiotic associations with gut microbes. In the late nineteenth century, this relationship was poorly understood and captured the interest of parasitologists such as Joseph Leidy; this research led to that of twentieth-century biologists and entomologists including Cleveland, Hungate, Trager, and Lüscher. Early insights came via microscopy, organismal, and defaunation studies, which led to descriptions of microbes present, descriptions of the roles of symbionts in lignocellulose digestion, and early insights into energy gas utilization by the host termite. Focus then progressed to culture-dependent microbiology and biochemical studies of host–symbiont complementarity, which revealed specific microhabitat requirements for symbionts and noncellulosic mechanisms of symbiosis (e.g., N 2 fixation). Today, knowledge on termite symbiosis has accrued exponentially thanks to omic technologies that reveal symbiont identities, functions, and interdependence, as well as intricacies of host–symbiont complementarity. Moving forward, the merging of classical twentieth-century approaches with evolving omic tools should provide even deeper insights into host–symbiont interplay.

Entomology↗
DOE OSTI2019

Thermal decay without information loss in horizonless microstate geometries

We develop a new hybrid WKB technique to compute boundary-to-boundary scalar Green functions in asymptotically-AdS backgrounds in which the scalar wave equation is separable and is explicitly solvable in the asymptotic region. We apply this technique to a family of six-dimensional \frac{1}{8} 1 8 -BPS asymptotically AdS _3\,\times\, 3 × S ^3 3 horizonless geometries that have the same charges and angular momenta as a D1-D5-P black hole with a large horizon area. At large and intermediate distances, these geometries very closely approximate the extremal-BTZ \,\times\, × S ^3 3 geometry of the black hole, but instead of having an event horizon, these geometries have a smooth highly-redshifted global-AdS _3\,\times\, 3 × S ^3 3 cap in the IR. We show that the response function of a scalar probe, in momentum space, is essentially given by the pole structure of the highly-redshifted global-AdS _3 3 modulated by the BTZ response function. In position space, this translates into a sharp exponential black-hole-like decay for times shorter than N_1 N_5 N 1 N 5 , followed by the emergence of evenly spaced “echoes from the cap,” with period \sim N_1 N_5 ∼ N 1 N 5 . Our result shows that horizonless microstate geometries can have the same thermal decay as black holes without the associated information loss.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Synthesis of observed and simulated rain microphysics to inform a new Bayesian statistical framework for microphysical parameterization in climate models (Final Scientific Report)

This project aimed to investigate a new approach to bulk microphysics schemes. We identified the need to move beyond the fixed structural assumptions and approximation of existing schemes. For example, most schemes assume some functional form for the rain drop size distribution (e.g. a gamma or exponential distribution). Most schemes then evolve some number of statistical moments of that distribution via various processes, such as evaporation, sedimentation, collision-coalescence, and collisional breakup. These microphysical processes, in turn, are typically some fixed functional form derived from either some other (more detailed) model, or using some single-particle rates that are then integrated over the size distribution. While these process rate functions may have some free parameters to adjust, in other cases doing so is impossible (e.g. when the process rates are analytical or piecewise solutions to some target function). Our goal was to build and test a scheme that assumed no size distribution form, and used a series of power laws as the basis for the process rates. Moments of the size distribution would be predicted, but no underlying size distribution would be specified. Any number or choice of size distribution moments could be used, and any number of power laws could be employed to model the process rates. Thus, our approach is flexible, and can seamlessly scale across levels of complexity, as demanded by the data. Bayesian inference then would provide the formalism to estimate the model parameters and structure, allowing for robust uncertainty quantification. We proposed testing this framework in idealized simulations using bin microphysical schemes as a data source. We also proposed using real data to inform our microphysics scheme, and also that we would integrate our scheme into WRF.

58 GEOSCIENCES↗