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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Time-dependent approximation schemes for some problems of parameter estimation in distributed systems

A parameter estimation method that can be used to estimate functional parameters in delay differential equations and moving boundary problems is discussed. In either problem, the original model equation (which is infinite-dimensional) is approximated by a system of ordinary differential equations that can be solved numerically in an efficient way. The approximation scheme is based on time-dependent spline elements. For the delay equation with time-varying delay, convergence results are presented that indicate the estimates obtained using the approximating system. Numerical test examples converge in some sense to a best-fit parameter for the original system are included by means of which time-varying and state-dependent delays and a time-varying diffusion coefficient in a one-phase, one-dimensional Stefan problem are estimated.

Murphy, K. A.↗
NASA NTRS1987

A global time-dependent model of thunderstorm electricity. I - Mathematical properties of the physical and numerical models

A time-dependent model is introduced that can be used to simulate the interaction of a thunderstorm with its global electrical environment. The model solves the continuity equation of the Maxwell current, which is assumed to be composed of the conduction, displacement, and source currents. Boundary conditions which can be used in conjunction with the continuity equation to form a well-posed initial-boundary value problem are determined. Properties of various components of solutions of the initial-boundary value problem are analytically determined. The results indicate that the problem has two time scales, one determined by the background electrical conductivity and the other by the time variation of the source function. A numerical method for obtaining quantitative results is introduced, and its properties are studied. Some simulation results on the evolution of the displacement and conduction currents during the electrification of a storm are presented.

Browning, G. L.↗
DOE OSTI2023

Time-Dependent Electric Bus and Charging Station Deployment Problem

Battery electric buses (BEBs) have gained popularity due to their emission-free and energy-efficient features. Many transit authorities worldwide have set goals to gradually replace their bus fleets with BEBs. Considering the potential decline in BEB battery and charger prices, this study proposes a time-dependent bus fleet transition model to determine the optimal bus fleet transition plan, which includes selecting the bus lines to be electrified, determining the timing and type of BEBs to be purchased, and deploying on-route fast chargers and depot chargers. The model is a bi-objective integer linear program that considers the trade-off between electrified transit mileages and bus electrification costs. A normalized normal constraint method is applied to solve the bi-objective optimization model. The effectiveness of the proposed model is tested using a real-world bus network. Additionally, sensitivity analyses are conducted to better understand the impact of different parameter values on the optimal solutions. Our proposed model can provide transit authorities with a powerful tool to make informed decisions about their BEB fleet replacement plans.

ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1994

The Use of a Two-Dimensional, Time-Dependent Cloud Model to Predict Convective and Stratiform Clouds and Precipitation

A two-dimensional, time-dependent cloud model has been used in two field projects to forecast the convective development during the day from the morning sounding. In effect, the cloud model gives a dynamic analysis of the sounding as affected by heating and evaporation at the earth's surface, divergence of the winds throughout the atmosphere, and cloud shadow effects. During the initial project, the Cooperative Huntsville Meteorological Experiment, the results were mixed. Model runs were easily made when soundings were available. but displaying the results in a meaningful and useful way was the limiting factor. In a later experiment, the North Dakota Thunderstorm Project, the problem of displaying results was overcome and soundings were available from the local weather service forecast office with a high degree of reliability. The experimental model correctly forecasts convective development about 80% of the time, and precipitation or no precipitation more than 70% of the time.

Kopp, Fred J.↗
DOE OSTI2025

Bayesian learning with Gaussian processes for low-dimensional representations of time-dependent nonlinear systems

This work presents a data-driven method for learning low-dimensional time-dependent physics-based surrogate models whose predictions are endowed with uncertainty estimates. We use the operator inference approach to model reduction that poses the problem of learning low-dimensional model terms as a regression of state space data and corresponding time derivatives by minimizing the residual of reduced system equations. Standard operator inference models perform well with accurate training data that are dense in time, but producing stable and accurate models when the state data are noisy and/or sparse in time remains a challenge. Another challenge is the lack of uncertainty estimation for the predictions from the operator inference models. Our approach addresses these challenges by incorporating Gaussian process surrogates into the operator inference framework to (1) probabilistically describe uncertainties in the state predictions and (2) procure analytical time derivative estimates with quantified uncertainties. The formulation leads to a generalized least-squares regression and, ultimately, reduced-order models that are described probabilistically with a closed-form expression for the posterior distribution of the operators. The resulting probabilistic surrogate model propagates uncertainties from the observed state data to reduced-order predictions. Furthermore, we demonstrate the method is effective for constructing low-dimensional models of two nonlinear partial differential equations representing a compressible flow and a nonlinear diffusion–reaction process, as well as for estimating the parameters of a low-dimensional system of nonlinear ordinary differential equations representing compartmental models in epidemiology.

Data-driven model reduction↗
DOE OSTI2020

Time-dependent variational principle for mixed matrix product states in the thermodynamic limit

Here, we describe a time evolution algorithm for quantum spin chains whose Hamiltonians are composed of an infinite uniform left and right bulk part, and an arbitrary finite region in between. The left and right bulk parts are allowed to be different from each other. The algorithm is based on the time-dependent variational principle (TDVP) of matrix product states. It is inversion-free and very simple to adapt from an existing TDVP code for finite systems. The importance of working in the projective Hilbert space is highlighted. We study the quantum Ising model as a benchmark and an illustrative example. The spread of information after a local quench is studied in both the ballistic and the diffusive case. We also offer a derivation of TDVP directly from symplectic geometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Time-dependent interstellar chemistry

Some current problems in interstellar chemistry are considered in the context of time-dependent calculations. The limitations of steady-state models of interstellar gas-phase chemistry are discussed, and attempts to chemically date interstellar clouds are reviewed. The importance of studying the physical and chemical properties of interstellar dust is emphasized. Finally, the results of a series of studies of collapsing clouds are described.

Glassgold, A. E.↗
NASA NTRS1990

Numerical solution of the time-dependent kinetic equation for electrons in magnetized plasma

A numerical solution is developed for the time-dependent kinetic equation describing the evolution of arbitrary distributions of electrons injected into a magnetized plasma. Included in the equation are pitch-angle scattering and energy loss because of Coulomb collisions and magnetic mirroring. The numerical code can be easily modified to include other scattering or radiation terms. The numerical results are shown to agree well with known analytic solutions for various simplified configurations such as homogeneous injection in a homogeneous plasma, electron beams moving with small pitch angle with respect to the magnetic field, and injection into a magnetic trap.

Hamilton, Russell J.↗
NASA NTRS2002

A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction

We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.

Wang, Dunyou↗
DOE OSTI2022

Importance of imposing gauge invariance in time-dependent density functional theory calculations with meta-generalized gradient approximations

It has been known for more than a decade that the gauge variance of the kinetic energy density τ leads to additional terms in the magnetic orbital rotation Hessian used in linear-response time-dependent density functional theory (TDDFT), affecting excitation energies obtained with τ-dependent exchange–correlation functionals. While previous investigations found that a correction scheme based on the paramagnetic current density has a small effect on benchmark results, we report more pronounced effects here, in particular, for the popular M06-2X functional and for some other meta-generalized gradient approximations (mGGAs). In the first part of this communication, this is shown by a reassessment of a set of five Ni(II) complexes for which a previous benchmark study that did not impose gauge invariance has found surprisingly large errors for excitation energies obtained with M06-2X. These errors are more than halved by restoring gauge invariance. The variable importance of imposing gauge invariance for different mGGA-based functionals can be rationalized by the derivative of the mGGA exchange energy integrand with respect to τ. In the second part, a large set of valence excitations in small main-group molecules is analyzed. For M06-2X, several selected n → π* and π→π$^{*}_{⊥}$ excitations are heavily gauge-dependent with average changes of –0.17 and –0.28 eV, respectively, while π→π$^{*}_{∥}$ excitations are marginally affected (–0.04 eV). Similar patterns, but of the opposite signs, are found for SCAN0. Here, the results suggest that reevaluation of previous gauge variant TDDFT results based on M06-2X and other mGGA functionals is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nonadiabatic Energy Fluctuations of Scale-Invariant Quantum Systems in a Time-Dependent Trap

We consider the nonadiabatic energy fluctuations of a many-body system in a time-dependent harmonic trap. In the presence of scale-invariance, the dynamics becomes self-similar and the nondiabatic energy fluctuations can be found in terms of the initial expectation values of the second moments of the Hamiltonian, square position, and squeezing operators. Nonadiabatic features are expressed in terms of the scaling factor governing the size of the atomic cloud, which can be extracted from time-of-flight images. We apply this exact relation to a number of examples: the single-particle harmonic oscillator, the one-dimensional Calogero-Sutherland model, describing bosons with inverse-square interactions that includes the non-interacting Bose gas and the Tonks-Girdardeau gas as limiting cases, and the unitary Fermi gas. We illustrate these results for various expansion protocols involving sudden quenches of the trap frequency, linear ramps and shortcuts to adiabaticity. Our results pave the way to the experimental study of nonadiabatic energy fluctuations in driven quantum fluids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Universal time-dependent Ginzburg-Landau theory

We study the hydrodynamics of superconductors within the framework of Schwinger-Keldysh effective field theory (EFT). We show that in the vicinity of the superconducting phase transition the most general leading-order EFT satisfying the local Kubo-Martin-Schwinger condition is described by a version of the time-dependent Ginzburg-Landau (TDGL) equations augmented with stochastic terms. This version of TDGL is applicable in the gapless regime independent of any microscopic details. Within this approach, it is possible to include systematically the effects of nonuniform temperature and heat conductivity, as well as explicit or spontaneous breaking of time reversal. Here, we also introduce a thermal version of the Josephson relation and use it to construct an exotic hydrodynamics describing a phase of matter where heat can flow without dissipation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Measurements of the time-dependent cosmic-ray Sun shadow with seven years of IceCube data: Comparison with the Solar cycle and magnetic field models

Observations of the time-dependent cosmic-ray Sun shadow have been proven as a valuable diagnostic for the assessment of solar magnetic field models. Here, seven years of IceCube data are compared to solar activity and solar magnetic field models. A quantitative comparison of solar magnetic field models with IceCube data on the event rate level is performed for the first time. Additionally, a first energy-dependent analysis is presented and compared to recent predictions. We use seven years of IceCube data for the moon and the Sun and compare them to simulations on data rate level. The simulations are performed for the geometrical shadow hypothesis for the moon and the Sun and for a cosmic-ray propagation model governed by the solar magnetic field for the case of the Sun. We find that a linearly decreasing relationship between Sun shadow strength and solar activity is preferred over a constant relationship at the 6.4σ level. We test two commonly used models of the coronal magnetic field, both combined with a Parker spiral, by modeling cosmic-ray propagation in the solar magnetic field. Both models predict a weakening of the shadow in times of high solar activity as it is also visible in the data. We find tensions with the data on the order of 3σ for both models, assuming only statistical uncertainties. The magnetic field model CSSS fits the data slightly better than the PFSS model. This is generally consistent with what is found previously by the Tibet AS-γ Experiment; a deviation of the data from the two models is, however, not significant at this point. Regarding the energy dependence of the Sun shadow, we find indications that the shadowing effect increases with energy during times of high solar activity, in agreement with theoretical predictions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

On spectral multigrid methods for the time-dependent Navier-Stokes equations

A splitting scheme is proposed for the numerical solution of the time-dependent, incompressible Navier-Stokes equations by spectral methods. A staggered grid is used for the pressure, improved intermediate boundary conditions are employed in the split step for the velocity, and spectral multigrid techniques are used for the solution of the implicit equations.

Zang, T. A.↗