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At least 325 records · Page 18

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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.↗

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 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↗

NASA NTRS1971

Absolute stability analysis of attitude control systems for large boosters.

A method for performing an absolute stability analysis of attitude control systems for large launch vehicles is presented. Absolute stability of these systems is shown to be of a limited extent. The regions of absolute stability are computed by using a quadratic Liapunov function. The function is chosen to provide additional information about the exponential property of absolute stability. A system model is used to illustrate the method.

Siljak, D. D.↗

NASA NTRS1972

Absolute stability analysis of attitude control systems for large boosters.

A method for performing absolute stability analyses of attitude control systems for large launch vehicles is presented. Absolute stability of these systems is shown in a finite region of the state space. The regions are computed by using the Lur'e-Postnikov Liapunov function. This function is chosen to provide additional information about the exponential property of absolute stability. Significant advantages of the method proposed in this paper are: it is independent of the order of the system; algebraic operations involved in the computations are relatively simple and convenient for machine implementation; and the obtained results are valid not only for a particular nonlinearity but also for an entire class of nonlinear characteristics that satisfy certain general conditions. A system model representing the Saturn V launch vehicle is used to illustrate the method.

Seltzer, S. M.↗

NASA NTRS1979

Evidence for the deficiency of short cosmic ray pathlengths and a physically realistic explanation - The no-near-sources model

Recent observations of the charge and energy spectra of cosmic-ray nuclei are used to construct secondary-to-primary charge ratios at the two ends of the charge spectrum. These ratios are found to be inconsistent with the ad hoc leaky-box model of cosmic-ray propagation which leads to an exponential pathlength distribution. Models for which the pathlength distribution function is deficient in short pathlengths provide a more consistent picture. Several of these models, both ad hoc and physical, are investigated. The physical model considered is one for which detailed galactic propagation parameters and boundary conditions are used and for which there exist no near sources of cosmic rays over a time interval corresponding to a few times the cosmic-ray age.

Lezniak, J. A.↗

NASA NTRS1980

Thermal microwave emission from a three-layer random medium with three-dimensional variations

The radiative transfer theory has been used to study the thermal microwave emission from a three-layer random medium. The random medium is characterized by correlation functions that are Gaussian in the horizontal direction and exponential in the vertical direction. Gaussian quadrature methods are used to solve for the brightness temperatures. The spectral and angular dependence of the brightness temperature are illustrated numerically. In particular we compare the case of a two-layer random medium whose brightness temperature decreases with frequency with the case of a three-layer random medium whose brightness temperature increases with frequency.

Tsang, L.↗

NASA NTRS1984

A far-infrared survey of the galactic center

The region within + or - 1.5 deg of the galactic center has been surveyed at a resolution of 1 arcmin between 40 and 250 microns. Forty-seven FIR sources were detected in the field, 38 of them spatially coincident with prominent radio-emitting regions. The 27 sources associated with H II regions have luminosities ranging from 500,000 to ten million solar luminosities, average infrared excesses of 16, and average dust-to-gas ratios of 0.002. They are located in a narrow band centered on Sgr A. Each FIR source appears to be powered by small numbers of early type O stars. The initial luminosity functions for these sources is best fitted by an exponential form with an e-folding luminosity of 2.3 million solar luminosities. The extended thermal emission of the region is consistent with a population of 30,000-50,000 ZAMS stars embedded in an ISM with a Lyman-continuum optical depth of 1-1.5.

Odenwald, S. F.↗

NASA NTRS1990

Convection-driven tectonics on Venus

An analysis is presented of convective stress coupling to an elastic lithosphere as applied to Venus. Theoretical solutions are introduced for the response of a mathematically thick elastic plate overlying a Newtonian viscous medium with an exponential depth dependence of viscosity, and a Green's function solution is obtained for the viscous flow driven by a harmonic density distribution at a specified depth. An elastic-plastic analysis is carried out for the deformation of a model Venus lithosphere. The results predict that dynamic uplift of Venusian topography must be accompanied by extensive brittle failure and viscous flow in the lithosphere.

Phillips, Roger J.↗

NASA NTRS1990

Probabilistic structural analysis of a truss typical for space station

A three-bay, space, cantilever truss is probabilistically evaluated using the computer code NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) to identify and quantify the uncertainties and respective sensitivities associated with corresponding uncertainties in the primitive variables (structural, material, and loads parameters) that defines the truss. The distribution of each of these primitive variables is described in terms of one of several available distributions such as the Weibull, exponential, normal, log-normal, etc. The cumulative distribution function (CDF's) for the response functions considered and sensitivities associated with the primitive variables for given response are investigated. These sensitivities help in determining the dominating primitive variables for that response.

Pai, Shantaram S.↗

NASA NTRS1992

Efficient yet accurate solution of the linear transport equation in the presence of internal sources - The exponential-linear-in-depth approximation

The present solutions to the linear transport equation pertain to monoenergetic particles' interaction with a multiple scattering/absorbing layered medium with a general anisotropic internal source term. Attention is given to a novel exponential-linear approximation to the internal source, as a function of scattering depth, which furnishes an at-once efficient and accurate solution to the linear transport equation through its reduction of the spatial mesh size. The great superiority of the proposed method is demonstrated by the numerical results obtained in the illustrative cases of (1) an embedded thermal source and (2) a rapidly varying beam pseudosource.

Kylling, Arve↗

NASA NTRS1992

Fourier/Chebyshev methods for the incompressible Navier-Stokes equations in finite domains

A fully spectral numerical scheme for the incompressible Navier-Stokes equations in domains which are infinite or semi-infinite in one dimension. The domain is not mapped, and standard Fourier or Chebyshev expansions can be used. The handling of the infinite domain does not introduce any significant overhead. The scheme assumes that the vorticity in the flow is essentially concentrated in a finite region, which is represented numerically by standard spectral collocation methods. To accomodate the slow exponential decay of the velocities at infinity, extra expansion functions are introduced, which are handled analytically. A detailed error analysis is presented, and two applications to Direct Numerical Simulation of turbulent flows are discussed in relation with the numerical performance of the scheme.

Corral, Roque↗

NASA NTRS2001

The release of alginate lyase from growing Pseudomonas syringae pathovar phaseolicola

Pseudomonas syringae pathovar phaseolicola, which produces alginate during stationary growth phase, displayed elevated extracellular alginate lyase activity during both mid-exponential and late-stationary growth phases of batch growth. Intracellular activity remained below 22% of the total activity during exponential growth, suggesting that alginate lyase has an extracellular function for this organism. Extracellular enzyme activity in continuous cultures, grown in either nutrient broth or glucose-simple salts medium, peaked at 60% of the washout rate, although nutrient broth-grown cultures displayed more than twice the activity per gram of cell mass. These results imply that growth rate, nutritional composition, or both initiate a release of alginate lyase from viable P. syringae pv. phaseolicola, which could modify its entrapping biofilm.

Polysaccharide-Lyases/secretion↗

NASA NTRS2015

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

Insulation resistance (IR) degradation in Ni-BaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure and direct-current (DC) leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current-time dependence data fit well to an exponential form, and a characteristic growth time SD can be determined. A greater value of tau(sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in Ni-BaTiO3 capacitors. The reduction of barrier height as a function of time follows an exponential relation of phi (𝑡)=phi (0)e(exp -2Κt), where the degradation rate constant 𝐾=𝐾o𝑒(𝐸𝑘/𝑘𝑇) is inversely proportional to the mean time to failure (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi(0) will favor a slow IR degradation process, but a lower phi(0) will also promote electronic carrier conduction across the barrier and decrease the insulation resistance. As a result, a moderate barrier height phi(0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant 𝐾) will result in a minimized IR degradation process and the most improved reliability in Ni-BaTiO3 multilayer ceramic capacitors.

dielectric degradation↗

NASA NTRS1981

Functional methods for waves in random media

Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media, and a derivation of approximate moment equations from the functional integral representation.

Chow, P. L.↗

NASA NTRS1981

Functional methods for waves in random media

Some basic ideas in functional methods for waves in random media are illustrated through a simple random differential equation. These methods are then generalized to solve certain random parabolic equations via an exponential representation given by the Feynman-Kac formula. It is shown that these functional methods are applicable to a number of problems in random wave propagation. They include the forward-scattering approximation in Gaussian white-noise media; the solution of the optical beam propagation problem by a phase-integral method; the high-frequency scattering by bounded random media; and a derivation of approximate moment equations from the functional integral representation.

Chow, P. L.↗

NASA NTRSDate not supplied

In Vitro Selections with RNAs of Variable Length Converge on a Robust Catalytic Core

In vitro selection is a powerful tool that can be used to understand basic principles of molecular evolution. We used in vitro selection to understand how changes in length and the accumulation of point mutations enable the evolution of functional RNAs. Using RNA populations of various lengths, we performed a series of in vitro experiments to select for ribozymes with RNA ligase activity. We identified a core ribozyme structure that was robust to changes in RNA length, high levels of mutagenesis, and increased selection pressure. Elaboration on this core structure resulted in improved activity which we show is consistent with a larger trend among functional RNAs in which increasing motif size can lead to an exponential improvement in fitness. We conclude that elaboration on conserved core structures is a preferred mechanism in RNA evolution. This conclusion, drawn from selections of RNAs from random sequences, is consistent with proposed evolutionary histories of specific biological RNAs. More generally, our results indicate that modern RNA structures can be used to infer ancestral structures. Our observations also suggest a mechanism by which structural outcomes of early RNA evolution would be largely reproducible even though RNA fitness landscapes consist of disconnected clusters of functional sequences.

In vitro evolution↗