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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Deformation characteristics and time-dependent notch sensitivity of Udimet 700 at intermediate temperatures

Time-dependent notch sensitivity of Udimet 700 sheet, bar, and investment castings was observed between 1000 and 1400 F (538-760 C) but not at 1600 F (871 C). As was the case for Modified Waspaloy, Waspaloy, Rene 41, Inconel 718, and TD-NiCr, it occurred when notched specimens were loaded below the yield strength and when creep deformation was localized. For each gamma-prime strengthened alloy and notched specimen geometry, a stress-average particle size zone can be defined to characterize the notch-sensitive behavior.

Wilson, D. J.↗
NASA NTRS1979

Numerical methods for large-scale, time-dependent partial differential equations

A survey of numerical methods for time dependent partial differential equations is presented. The emphasis is on practical applications to large scale problems. A discussion of new developments in high order methods and moving grids is given. The importance of boundary conditions is stressed for both internal and external flows. A description of implicit methods is presented including generalizations to multidimensions. Shocks, aerodynamics, meteorology, plasma physics and combustion applications are also briefly described.

Turkel, E.↗
NASA NTRS1983

Spectral methods for time dependent partial differential equations

The theory of spectral methods for time dependent partial differential equations is reviewed. When the domain is periodic Fourier methods are presented while for nonperiodic problems both Chebyshev and Legendre methods are discussed. The theory is presented for both hyperbolic and parabolic systems using both Galerkin and collocation procedures. While most of the review considers problems with constant coefficients the extension to nonlinear problems is also discussed. Some results for problems with shocks are presented.

Gottlieb, D.↗
NASA NTRS1989

Development of a numerical solution to the time dependent kinetic equation

A numerical solution was developed for the time dependent Fokker-Planck equation for arbitrary distributions of electrons injected into a magnetized plasma. The code which includes energy loss and pitch angle scattering due to Coulomb collisions and changes in pitch angle due to inhomogeneous magnetic fields was calibrated and tested. The numerical method is versatile so that other scattering or radiation terms can be easily included. Using this code many processes associated with the impulsive phase of solar flares will be investigated.

Hamilton, Russell J.↗
DOE OSTI2024

Time-dependent density functional theory with the orthogonal projector augmented wave method

The projector augmented wave (PAW) method of Blöchl linearly maps smooth pseudo wavefunctions to the highly oscillatory all-electron DFT orbitals. Compared to norm-conserving pseudopotentials (NCPP), PAW has the advantage of lower kinetic energy cutoffs and larger grid spacing at the cost of having to solve for non-orthogonal wavefunctions. We earlier developed orthogonal PAW (OPAW) to allow the use of PAW when orthogonal wavefunctions are required. In OPAW, the pseudo wavefunctions are transformed through the efficient application of powers of the PAW overlap operator with essentially no extra cost compared to NCPP methods. Previously, we applied OPAW to DFT. Here, we take the first step to make OPAW viable for post-DFT methods by implementing it in real-time time-dependent (TD) DFT. Using fourth-order Runge–Kutta for the time-propagation, we compare calculations of absorption spectra for various organic and biological molecules and show that very large grid spacings are sufficient, 0.6–0.7 bohr in OPAW-TDDFT rather than the 0.4–0.5 bohr used in traditional NCPP-TDDFT calculations. This reduces the memory and propagation costs by around a factor of 3. Our method would be directly applicable to any post-DFT methods that require time-dependent propagations such as the GW approximation and the Bethe–Salpeter equation.

Chemistry↗
DOE OSTI2025

Space-Time Finite Element Tensor Network Approach for the Time-Dependent Convection–Diffusion–Reaction Equation with Variable Coefficients

In this paper, we present a new space-time Galerkin-like method, where we treat the discretization of spatial and temporal domains simultaneously. This method utilizes a mixed formulation of the tensor-train (TT) and quantized tensor-train (QTT) (please see Section Tensor-Train Decomposition), designed for the finite element discretization (Q1-FEM) of the time-dependent convection–diffusion–reaction (CDR) equation. We reformulate the assembly process of the finite element discretized CDR to enhance its compatibility with tensor operations and introduce a low-rank tensor structure for the finite element operators. Recognizing the banded structure inherent in the finite element framework’s discrete operators, we further exploit the QTT format of the CDR to achieve greater speed and compression. Additionally, we present a comprehensive approach for integrating variable coefficients of CDR into the global discrete operators within the TT/QTT framework. The effectiveness of the proposed method, in terms of memory efficiency and computational complexity, is demonstrated through a series of numerical experiments, including a semi-linear example.

convection–diffusion–reaction equation↗
NASA NTRS1983

Time-dependent response of filamentary composite spherical pressure vessels

A filamentary composite spherical pressure vessel is modeled as a pseudoisotropic (or transversely isotropic) composite shell, with the effects of the liner and fill tubes omitted. Equations of elasticity, macromechanical and micromechanical formulations, and laminate properties are derived for the application of an internally pressured spherical composite vessel. Viscoelastic properties for the composite matrix are used to characterize time-dependent behavior. Using the maximum strain theory of failure, burst pressure and critical strain equations are formulated, solved in the Laplace domain with an associated elastic solution, and inverted back into the time domain using the method of collocation. Viscoelastic properties of HBFR-55 resin are experimentally determined and a Kevlar/HBFR-55 system is evaluated with a FORTRAN program. The computed reduction in burst pressure with respect to time indicates that the analysis employed may be used to predict the time-dependent response of a filamentary composite spherical pressure vessel.

Dozier, J. D.↗
NASA NTRS1980

A rapid implicit-explicit solution to the two-dimensional time dependent incompressible Navier-Stokes equations

A second-order time-accurate and spatially factored algorithm was used in a finite difference scheme for the numerical solution of the time-dependent, incompressible, two dimensional Navier-Stokes equations in conservation-law form using vorticity and stream function variables. The systems of equations are solved at each time step by an iterative technique. Numerical results were obtained for a circular cylinder at a Reynolds number of 15, and an NACA 0012 airfoil at zero angle of attack at Reynolds numbers of 10 to the third and 10 to the fourth powers. The results are in agreement with another numerical technique, and the computing time required to obtain the steady state solution at the Reynolds number of 10 to the 4th power was 49.7 sec on CDC 7600 computer using a 65 x 84 computational grind.

Davis, J. E.↗
DOE OSTI2021

A Comparison of Three Ways to Measure Time-Dependent Densities With Quantum Simulators

Quantum algorithms are touted as a way around some classically intractable problems such as the simulation of quantum mechanics. At the end of all quantum algorithms is a quantum measurement whereby classical data is extracted and utilized. In fact, many of the modern hybrid-classical approaches are essentially quantum measurements of states with short quantum circuit descriptions. Here, we compare and examine three methods of extracting the time-dependent one-particle probability density from a quantum simulation: direct Z -measurement, Bayesian phase estimation, and harmonic inversion. We have tested these methods in the context of the potential inversion problem of time-dependent density functional theory. Our test results suggest that direct measurement is the preferable method. We also highlight areas where the other two methods may be useful and report on tests using Rigetti's quantum virtual device. This study provides a starting point for imminent applications of quantum computing.

Yang, Jun↗
NASA NTRS1983

Complex time dependent wave packet technique for thermal equilibrium systems - Electronic spectra

A time dependent wave packet method is presented for the rapid calculation of the properties of systems in thermal equilibrium and is applied, as an illustration, to electronic spectra. The thawed Gaussian approximation to quantum wave packet dynamics combined with evaluation of the density matrix operator by imaginary time propagation is shown to give exact electronic spectra for harmonic potentials and excellent results for both a Morse potential and for the band contours of the three transitions of the visible electronic absorption spectrum of the iodine molecule. The method, in principle, can be extended to many atoms (e.g., condensed phases) and to other properties (e.g., infrared and Raman spectra and thermodynamic variables).

Reimers, J. R.↗
NASA NTRS1980

Time dependent plasma injection by Io

A two parameter model of time-dependent, flux-tube interchange diffusion is fit to the Voyager 1 plasma data obtained in the Io plasma disk. The interpretation of the parameters required to achieve the fit is that plasma injection increased suddenly and substantially (by more than an order of magnitude) at some time prior to the arrival of Voyager 1 (between 1 and 100 days prior). The injection rate was about 2 x 10 to the (29 plus or minus 1) power ion/sec. At this rate, the centrifugally driven interchange instability dominated outward diffusion, causing the outward diffusion rate to be about a factor of 50 greater than the inward diffusion rate. The material diffusing inward had time to cool by radiation, possibly accounting for the observed temperature drop inside the orbit of Io.

Richardson, J. D.↗
NASA NTRS1993

A time-dependent model of polar cap arcs

In the present 2D time-dependent model of polar cap arcs, the electrodynamics of the polar cap arcs are treated self-consistently in the frame of the coupled magnetosphere-ionosphere system. The focus of this work is a description of the features of the spatial structure and temporal evolution of the polar cap arcs. Results indicate that the time constant for the formation of the polar cap arcs is around 10 min; an initial single-arc precipitation pattern associated with a polar cap arc tends to split into multiple precipitation regions, yielding a multiple polar cap arc structure. Strong downward field-aligned currents can develop near the intensive upward field-aligned currents and form a pair structure of the field-aligned current in the polar cap arcs. The model predicts plasma flow crossing the polar cap arcs, but its amplitude is small and its characteristic time scale is much larger than the time constant for the formation of the polar cap arcs. While polar cap arcs are developing, the associated current system tends to become further localized.

Zhu, L.↗
DOE OSTI2023

The Seismic Signature of a High-Energy Density Physics Laboratory and Its Potential for Measuring Time-Dependent Velocity Structure

The Z Machine at Sandia National Laboratories is a pulsed power facility for high-energy density physics experiments that can shock materials to extreme temperatures and pressures through a focused energy release of up to ~ 25 MJ in < 100 nanoseconds. It has been in operation for more than two decades and conducts up to ~ 100 experiments, or “shots,” per year. Based on a set of 74 known shot times from 2018, we determined that Z Machine shots produce detectable ~ 3–17 Hz ground motion 12 km away at the Albuquerque Seismological Laboratory, New Mexico (ANMO), borehole seismograph, with peak signal at ~ 7 Hz. The known shot waveforms were used to create a three-component template, leading to the detection of 2339 Z Machine shots since 1998 through single-station cross-correlation. Local seismic magnitude estimates range from local magnitude (M L ) —2 to —1.3 and indicate that only a small fraction of the shot energy is transmitted by seismic phases observable at 12 km distance. The most recent major facility renovation, which was intended to decrease mechanical dissipation, is associated with an abrupt decrease in observed seismic amplitudes at ANMO despite stable maximum shot energy. The highly repetitive impulsive sources are well suited to coda-wave interferometry to investigate time-dependent velocity structures. Relative velocity variations (dv/v) show an annual cycle with amplitude of ~ 0.2%. Local minima are observed in the late spring, and dv/v increases through the summer monsoon rainfall, possibly reflecting patchy saturation as rainfall infiltrates near the eastern edge of the Albuquerque basin. Importantly, the cumulative results demonstrate that forensic seismology can provide insight into long-term operation of facilities such as pulsed-power laboratories, and that their recurring signals may be valuable for studies of time-dependent structure

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

Time-dependent dusty gasdynamical flow near cometary nuclei

This paper presents time-dependent solutions to the coupled dusty hydrodynamics equations describing the spherically symmetric expansion of cometary neutral gas in the vicinity of a cometary nucleus. The sublimation process is repressented by gas outflow from a dust-covered reservoir containing stationary gas whose pressure and density values are determined by the sublimating (Ts) and surface (T0) temperatures. The model resolves earlier ambiguities in determining gas production rates and provides analytic relations between Ts, T0, and the gas parameters at the sonic point. The time evolution of a cometary outburst was modeled. It was found that, as a result of the strong gas-dust interaction in the inner coma region, a 'slow' disturbance in both the dust and gas parameters will be created in addition to the familiar gas blast-wave solution. This new 'slow' disturbance, which propagates with a velocity of about 0.2 km/s, might be responsible for some of the observed slowly expanding cometary halos, such as the one which was recently identified using 1910 Mount Wilson high-resolution comet Halley photographs.

Gombosi, T. I.↗
NASA NTRS1991

Thermal maps of Jupiter - Spatial organization and time dependence of stratospheric temperatures, 1980 to 1990

The spatial organization and time dependence of Jupiter's stratospheric temperatures have been measured by observing thermal emission from the 7.8-micrometer CH4 band. These temperatures, observed through the greater part of a Jovian year, exhibit the influence of seasonal radiative forcing. Distinct bands of high temperature are located at the poles and midlatitudes, while the equator alternates between warm and cold with a period of approximately 4 years. Substantial longitudinal variability is often observed within the warm midlatitude bands, and occasionally elsewhere on the planet. This variability includes small, localized structures, as well as large-scale waves with wavelengths longer than about 30,000 kilometers. The amplitudes of the waves vary on a time scale of about 1 month; structures on a smaller scale may have lifetimes of only days. Waves observed in 1985, 1987, and 1988 propagated with group velocities less than + or - 30 meters/sec.

Orton, Glenn S.↗
DOE OSTI2024

Reproducibility of real-time time-dependent density functional theory calculations of electronic stopping power in warm dense matter

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the consistency of its predictions across different implementations. This problem is particularly acute in the warm dense regime, where computational costs are high and experimental validation is rare and resource intensive. We report a comprehensive cross-verification of stopping power calculations in conditions relevant to inertial confinement fusion conducted using four different TDDFT implementations. We find excellent agreement among both the post-processed stopping powers and relevant time-resolved quantities for alpha particles in warm dense hydrogen. We also analyze sensitivities to a wide range of methodological details, including the exchange-correlation model, pseudopotentials, initial conditions, observable from which the stopping power is extracted, averaging procedures, projectile trajectory, and finite-size effects. We show that among these details, pseudopotentials, trajectory-dependence, and finite-size effects have the strongest influence, and we discuss different strategies for controlling the latter two considerations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗