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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

First Measurements of Time-Dependent Nucleation as a Function of Composition in Na2O.2CaO.3SiO2 Glasses

The first measurements in any system of the composition dependence of the time-dependent nucleation rate are presented Nucleation rates of the stoichiometric crystalline phase, Na2O.2CaO.3SiO2, from quenched glasses made with different SiO2 concentrations were determined as a function of temperature and glass composition. A strong compositional dependence of the nucleation rates and a weak dependence for the induction times are observed. Using measured values of the liquidus temperatures and growth velocities as a function of glass composition, these data are shown to be consistent with predictions from the classical theory of nucleation, assuming a composition-dependent interfacial energy.

Kelton, K. F.↗
NASA NTRS2003

A Study of Time-dependent and Anisotropic Effects on the Deformation Response of Two Flywheel Designs

The influence of material time dependency and anisotropy in the context of two specific flywheel designs-preload and multi-directional composite (MDC)--is investigated. In particular, we focus on the following aspects: 1) geometric constraints, 2) material constraints, 3) loading type, and 4) the fundamental character of the time-dependent response, i.e., reversible or irreversible. The bulk of the results presented were obtained using a composite (PMC IM7/8552 at 135 C) material system. The material was characterized using a general multimechanism hereditary (viscoelastoplastic) model. As a general conclusion, the results have clearly shown that both the preload and the MDC rotor designs are significantly affected by time-dependent material behavior, which may impact the state of rotor balance and potentially reduce its operating life. In view of the results of the parametric studies and predictions made in the present study, the need for actual experimentation focusing on the time-dependent behavior of full-scale flywheel rotors is self-evident.

Saleeb, Atef F.↗
NASA NTRS1990

A time-dependent dusty gas dynamic model of axisymmetric cometary jets

The present time-dependent, axisymmetric dusty gas dynamical model of inner cometary atmospheres solves the coupled and time-dependent equations of continuity, momentum, and energy for a gas-dust mixture between the surface of the nucleus and 100 km, using an axisymmetric 40 x 40 grid structure. A novel numerical method employing a second-order accurate Godunov-type scheme with dimensional splitting is used to solve the time-dependent pde system. It is established that a subsolar dust spike not predicted by previous calculations is generated by narrow axisymmetric jets, together with a jet cone whose opening angle depends on the jet length.

Korosmezey, A.↗
DOE OSTI2020

Space-time dependent thermal conductivity in nonlocal thermal transport

Nonlocal thermal transport is generally described by the Peierls-Boltzmann transport equation (PBE). However, solving the PBE for a general space-time dependent problem remains a challenging task due to the high dimensionality of the integro-differential equation. In this work, we present a direct solution to the space-time dependent PBE with a linearized collision matrix using an eigendecomposition method. We show that there exists a generalized Fourier-type relation that links heat flux to the local temperature, and this constitutive relation defines a thermal conductivity that depends on both time and space. Combining this approach with ab initio calculations of phonon properties, we demonstrate that the space-time dependent thermal conductivity gives rise to an oscillatory response in temperature in a transient grating geometry in high thermal conductivity materials. The present solution method allows us to extend the reach of our computational capability for heat conduction to space-time dependent nondiffusive transport regimes. Here, this capability will not only enable a more accurate interpretation of thermal measurements that observe nonlocal thermal transport, but also enhance our physical understanding of nonlocal thermal transport in high thermal conductivity materials that are promising candidates for nanoscale thermal management applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1979

Time-dependent difference theory for noise propagation in a two-dimensional duct

A time dependent numerical formulation was derived for sound propagation in a two dimensional straight soft-walled duct in the absence of mean flow. The time dependent governing acoustic-difference equations and boundary conditions were developed along with the maximum stable time increment. Example calculations were presented for sound attenuation in hard and soft wall ducts. The time dependent analysis were found to be superior to the conventional steady numerical analysis because of much shorter solution times and the elimination of matrix storage requirements.

Baumeister, K. J.↗
NASA NTRS1986

Time-dependent profiles of lava flows

This work investigates the combined effects of a time-dependent effusion rate and a spatially varying viscosity on the thickness profile of a flowing lava. Relatively simple governing equations are formulated as a primitive dynamical model for these two influences on lava flow morphology. Free boundary solutions for the profile of the flow and its extent are presented and analyzed for different boundary conditions at the source of the flow and several models for the spatial dependence of the viscosity. The results presented here suggest that time dependence in the flow depth at the source and the form of the viscosity variation are significant influences on the morphology and dimensions of lava flows. Moreover, this analysis implies that time-dependent source conditions may contribute to the scatter in plots of eruption rate versus flow length and disparities between field and laboratory estimates of lava viscosity.

Baloga, Stephen↗
DOE OSTI2025

Sparsified Time-dependent PDEs FNO (STFNO) v1.0.0

STFNO (Sparsified Time-dependent PDEs FNO code) is an extension of the popular Fourier Neural Operator (FNO) architecture to the solution of coupled systems of time-dependent partial differential equations. STFNO leverages the sparsified dependencies on the field quantities based on the semi-discretiezed form of the PDEs, enabling significant reduction in the number of model parameters. STFNO has been extensively tested on two fusion simulation codes, NIMROD and GTC, and can be easily tailored to other systems of PDEs.

Rahman, Mustafa [Lawrence Berkeley National Labora↗
DOE OSTI2020

Robust Distribution System Load Restoration With Time-Dependent Cold Load Pickup

Service restoration is one of the critical functions to enable the future self-healing distribution system. To restore the distribution system in a timely and reliable manner, the realistic system operating conditions need to be accurately characterized. Here, two main factors that have great impacts on distribution system restoration (DSR) in practice are investigated. First, cold load pickup (CLPU), generally caused by thermostatically controlled loads (TCLs), is a common phenomenon after an outage and shaped by the outage duration. However, the time-dependent behaviors of CLPU are rarely considered in literature. In this paper, the operating state evolution of TCLs after an outage is analyzed to characterize time-dependent CLPU. And the time-dependent CLPU is analytically embedded in DSR to accurately represent the actual behaviors of the restored loads. Second, it is difficult to predict loads that fluctuate during DSR due to the lack of real-time measurement data. Accordingly, a robust DSR based on the information gap decision theory (IGDT) is proposed to address this challenge, fully considering the uncertainty of CLPU. The proposed models are tested in IEEE 13-node and 123-node test feeders. Simulation results demonstrate that the time-dependent CLPU model and the uncertainty modeling of CLPU can accurately capture the actual behaviors of loads with TCLs after an outage, which greatly improves DSR decisions in practice.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1980

Time-dependent difference theory for noise propagation in a two-dimensional duct

A time-dependent numerical formulation is derived for sound propagation in a two-dimensional straight soft-walled duct in the absence of mean flow. The time-dependent governing acoustic-difference equations and boundary conditions are developed along with the maximum stable time increment. Example calculations are presented for sound attenuation in hard- and soft-wall ducts. The time-dependent analysis has been found to be superior to the conventional steady numerical analysis because of much shorter solution times and the elimination of matrix storage requirements.

Baumeister, K. J.↗
DOE OSTI2021

Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations

Time-dependent orbital-free density functional theory (DFT) is an efficient method for calculating the dynamic properties of large-scale quantum systems due to the low computational cost compared to standard time-dependent DFT. In this work, we formalize this method by mapping the real system of interacting fermions onto a fictitious system of noninteracting bosons. The dynamic Pauli potential and associated kernel emerge as key ingredients of time-dependent orbital-free DFT. Using the uniform electron gas as a model system, we derive an approximate frequency-dependent Pauli kernel. Pilot calculations suggest that space nonlocality is a key feature for this kernel. Nonlocal terms arise already in the second-order expansion with respect to unitless frequency and reciprocal space variable ($\frac{ω}{qk_F}$ and $\frac{q}{2k_F}$, respectively). Given the encouraging performance of the proposed kernel, we expect it will lead to more accurate orbital-free DFT simulations of nanoscale systems out of equilibrium. Additionally, the proposed path to formulate nonadiabatic Pauli kernels presents several avenues for further improvements which can be exploited in future work to improve the results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Time-dependent shock acceleration of energetic electrons including synchrotron losses

The present investigation of the time-dependent particle acceleration problem in strong shocks, including synchrotron radiation losses, solves the transport equation analytically by means of Laplace transforms. The particle distribution thus obtained is then transformed numerically into real space for the cases of continuous and impulsive injections of particles at the shock. While in the continuous case the steady-state spectrum undergoes evolution, impulsive injection is noted to yield such unpredicted features as a pile-up of high-energy particles or a steep power-law with time-dependent spectral index. The time-dependent calculations reveal varying spectral shapes and more complex features for the higher energies which may be useful in the interpretation of outburst spectra.

Fritz, Klaus-Dieter↗
NASA NTRS1975

UV stars and the interstellar medium - A statistical time-dependent model

A statistical time-dependent model for the effects on the interstellar gas of the ionizing radiation from UV stars is presented. The radiation from the stars is assumed to be emitted as monochromatic bursts at random times and locations. The thermal and ionization history of the gas is followed in a Monte Carlo simulation. Probability densities as well as mean values for the ionization fraction, temperature, and other observable quantities are derived. The fluctuations in observed quantities due to the stochastic nature of the model are estimated. Models of the interstellar medium perpendicular to the galactic plane are developed and compared with observations. The action of the UV stars can explain the bulk properties of the interstellar gas toward the galactic poles and is consistent with the Copernicus satellite observations toward lambda Scorpii.

Lyon, J.↗
NASA NTRS2001

Parametric Study of a YAV-8B Harrier in Ground Effect Using Time-Dependent Navier-Stokes Computations

Flow simulations using the time-dependent Navier-Stokes equations remain a challenge for several reasons. Principal among them are the difficulty to accurately model complex flows, and the time needed to perform the computations. A parametric study of such complex problems is not considered practical due to the large cost associated with computing many time-dependent solutions. The computation time for each solution must be reduced in order to make a parametric study possible. With successful reduction of computation time, the issue of accuracy, and appropriateness of turbulence models will become more tractable.

Shishir, Pandya↗
DOE OSTI2024

Scalable learning of potentials to predict time-dependent Hartree–Fock dynamics

We propose a framework to learn the time-dependent Hartree–Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Although the entire TDHF Hamiltonian, including the inter-electronic potential, can be computed from first principles, we use this problem as a testbed to develop strategies that can be applied to learn a priori unknown terms that arise in other methods/approaches to quantum dynamics, e.g., emerging problems such as learning exchange–correlation potentials for time-dependent density functional theory. We develop, train, and test three models of the TDHF inter-electronic potential, each parameterized by a four-index tensor of size up to 60 × 60 × 60 × 60. Two of the models preserve Hermitian symmetry, while one model preserves an eight-fold permutation symmetry that implies Hermitian symmetry. Across seven different molecular systems, we find that accounting for the deeper eight-fold symmetry leads to the best-performing model across three metrics: training efficiency, test set predictive power, and direct comparison of true and learned inter-electronic potentials. All three models, when trained on ensembles of field-free trajectories, generate accurate electron dynamics predictions even in a field-on regime that lies outside the training set. To enable our models to scale to large molecular systems, we derive expressions for Jacobian-vector products that enable iterative, matrix-free training.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Double and Charge-Transfer Excitations in Time-Dependent Density Functional Theory

Time-dependent density functional theory has emerged as a method of choice for calculations of spectra and response properties in physics, chemistry, and biology, with its system-size scaling enabling computations on systems much larger than otherwise possible. While increasingly complex and interesting systems have been successfully tackled with relatively simple functional approximations, there has also been increasing awareness that these functionals tend to fail for certain classes of approximations. Here I review the fundamental challenges the approximate functionals have in describing double excitations and charge-transfer excitations, which are two of the most common impediments for the theory to be applied in a black-box way. At the same time, I describe the progress made in recent decades in developing functional approximations that give useful predictions for these excitations.

Chemistry↗
NASA NTRS1995

The large discretization step method for time-dependent partial differential equations

A new method for the acceleration of linear and nonlinear time dependent calculations is presented. It is based on the Large Discretization Step (LDS) approximation, defined in this work, which employs an extended system of low accuracy schemes to approximate a high accuracy discrete approximation to a time dependent differential operator. Error bounds on such approximations are derived. These approximations are efficiently implemented in the LDS methods for linear and nonlinear hyperbolic equations, presented here. In these algorithms the high and low accuracy schemes are interpreted as the same discretization of a time dependent operator on fine and coarse grids, respectively. Thus, a system of correction terms and corresponding equations are derived and solved on the coarse grid to yield the fine grid accuracy. These terms are initialized by visiting the fine grid once in many coarse grid time steps. The resulting methods are very general, simple to implement and may be used to accelerate many existing time marching schemes.

Haras, Zigo↗