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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 NTRS1982

Long Periodic Terms in the Solar System

The long period variations of the first eight planets in the solar system are studied. First, the Lagrangian solution is calculated and then the long period terms with fourth order eccentricities and inclinations are introduced into the perturbation function. A second approximation was made taking into account the short period terms' contribution, namely the perturbations of first order with respect to the masses. Special attention was paid to the determination of the integration constants. The relative importance of the different contributions is shown. It is useless, for example, to introduce the long period terms of fifth order if no account has been taken of the short period terms. Meanwhile, the terms that have been neglected would not introduce large changes in the integration constants. Even so, the calculation should be repeated with higher order short period terms and fifth order long periods.

Bretagnon, P.↗
NASA NTRS1987

Stochasticity in numerical solutions of the nonlinear Schroedinger equation

The cubically nonlinear Schroedinger equation is an important model of nonlinear phenomena in fluids and plasmas. Numerical solutions in a spatially periodic system commonly involve truncation to a finite number of Fourier modes. These solutions are found to be stochastic in the sense that the largest Liapunov exponent is positive. As the number of modes is increased, the size of this exponent appears to converge to zero, in agreement with the recent demonstration of the integrability of the spatially periodic case.

Shen, Mei-Mei↗
NASA NTRS1990

Probabilistic vibration analysis of nearly periodic structures

A disordered structure with weakly coupled subsystems has localized modes with the vibratory energy concentrated in one part of the mode shape. The localization of modes may significantly affect the forced vibration response, increasing the maximum vibration amplitude dramatically in some cases. It is the scope of this paper to study the forced vibration of nearly periodic systems consisting of almost identical substructures and to analyze their free and forced dynamic responses probabilistically. It is shown that the sensitivity of the forced response to the degree of localization depends on a combination of the symmetry of the mode, which is excited, and the phase difference between the forces acting on each substructure. These results might explain the range of contrasting conclusions of earlier publications on the effects of forced response on mistuned structures. A probabilistic analysis of the free and forced responses of a nearly periodic structure is shown to be useful in the design of structures that are sensitive to the degree of localization. The results of the probabilistic analysis are verified using Monte Carlo simulation.

Hamade, Karen S.↗
NASA NTRS1974

Specialists Meeting on Rotorcraft Dynamics, Moffett Field, Calif., February 13-15, 1974, Proceedings

Analysis of specific problems in rotorcraft dynamics. Topics include hingeless rotor theory, dynamic stall modelling, periodic systems identification, analysis of complex systems with phasing matrices, flapping stability, flap-lag dynamics at high advance ratios, finite element analysis and fuselage free-vibration characteristics, coupled rotor/frame vibration methods, gust response characteristics with unsteady stall effects, antiresonance theory, cyclic feathering motions and dynamic loads, control load envelope shaping, rotor aeroelasticity, use of Floquet theory, theory of proprotors and tilt-rotors, two-bladed teetering rotors, stability of air and ground resonance, vertical-plane pendulum absorbers, multicyclic jet-flap control, engine/frame interface dynamics, and others. The minutes of the question and answer periods following the presentations are presented in the supplement. Individual items are announced in this issue.

Source record↗
NASA NTRS1975

ATS-6 - UCSD auroral particles experiment

The University of California at San Diego Auroral Particles Experiment aboard Applications Technology Satellite-6 (ATS-6) is discussed. The experiment is designed to investigate the time development of geomagnetic substorm particles, the confinement and loss of such particles, and the roles of plasma wave instabilities and characteristic system periodicities in substorm and general magnetospheric processes. The instrumentation includes a complement of five electrostatic charged particle detectors. Two detector assemblies are capable of rotation through 220 deg. The electrostatic curved plate energy/unit charge analyzers are ovoid, requiring particles to be bent only 55 deg to obtain azimuthal focusing. The inside of the plates is serrated to eliminate particles striking the sides. A post-analysis electrostatic lens consisting of two wire grids, one at the potential of the inner plate and one at the potential of ground, focuses particles strongly upon the center of the sensor. A spiraltron particle sensor detects the charged particles. The system has an energy range of five orders of magnitude with a lower extreme of less than 1 eV. Preliminary data are presented to illustrate phenomena which are observed as a result of the novel features described.

Mauk, B. H.↗
NASA NTRS1994

Tearing mode instability in a multiple current sheet system

The tearing mode and magnetic reconnection are studied for multiple current sheet systems by two-dimensional magnetohydrodynamic (MHD) simulations. Both the linear and nonlinear evolution of this process are anaylsed for laminar perturbations. The results illustrate the existence of a linear regime with a symmetric and antisymmetric mode and agree with previous analytic results (Otto and Birk, 1992). The nonlinear evolution shows a number of interesting new features and may explain some properties in corresponding studies of turbulent reconnection. For wavelengths larger than twice the current sheet separation the evolution of antisymmetric modes leads to an entire reconfiguration of the magnetic field and converts a major portion of the magnetic energy into kinetic energy. Antisymmetric modes with smaller wavelengths and symmetric modes are found to saturate. The influence of the value of the resistivity on the reconnection rate decreases in the nonlinear evolution, and the ratio of current sheet separation to wavelength seems to be of major importance. A comparion of the dynamics of periodic current sheets with the evolution of only two current sheets indicates that some of the results for the periodic system also apply to the evolution of only two interacting current sheets. The results are discussed with respect to observations of large-scale plasma and magnetic field reconfigurations in the magnetosheath and near the Earth's bow shock.

Yan, M.↗
DOE OSTI2025

Optimized Auxiliary Functions for Robust Mitigation of Finite-Size Errors in Periodic Hybrid Density Functional Theory

When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and can manifest as a slowly converging quadrature error when approximating an integral in the reciprocal space by a finite sum. The singularity subtraction (SS) method offers a systematic approach for reducing this quadrature error and thus the FSE. Here, in this work, we first investigate the performance of the SS method in the simplest setting, aiming at reducing the FSE in exact exchange calculations by subtracting the Coulomb contribution with a single, adjustable Gaussian auxiliary function. We demonstrate that a simple fitting method can robustly estimate the optimal Gaussian width and leads to rapid convergence toward the TDL. Furthermore, we suggest new forms of the auxiliary function, whose optimal parameters could also be determined through least-squares fitting. For a range of semiconductors and insulators, the proposed auxiliary functions achieve robust, millihartree-level accuracy in hybrid density functional theory calculations, including cases with sparse k-meshes and large basis sets.

Quiton, Stephen Jon [University of California, Ber↗
DOE OSTI2024

Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT

The plane-wave pseudopotential (PW-PP) formalism is widely used for the first-principles electronic structure calculation of extended periodic systems. The PW-PP approach has also been adapted for real-time time-dependent density functional theory (RT-TDDFT) to investigate time-dependent electronic dynamical phenomena. In this work, we detail recent advances in the PW-PP formalism for RT-TDDFT, particularly how maximally localized Wannier functions (MLWFs) are used to accelerate simulations using the exact exchange. We also discuss several related developments, including an anti-Hermitian correction for the time-dependent MLWFs (TD-MLWFs) when a time-dependent electric field is applied, the refinement procedure for TD-MLWFs, comparison of the velocity and length gauge approaches for applying an electric field, and elimination of long-range electrostatic interaction, as well as usage of a complex absorbing potential for modeling isolated systems when using the PW-PP formalism.

Chemistry↗
DOE OSTI2025

Constrained nuclear–electronic orbital method for periodic density functional theory: Application to H 2 chemisorption on Si(001) surfaces

The nuclear–electronic orbital (NEO) method provides a powerful computational framework for incorporating nuclear quantum effects (NQE) in electronic structure calculations beyond the Born–Oppenheimer approximation. By incorporating additional constraints to the position operator on quantum particles like protons, the NEO method enables calculation of effective potential that accounts for NQE. Here, in this work, we present a new constrained NEO (cNEO) formulation for density functional theory (cNEO-DFT) calculations in the context of extended periodic systems. Using the nudged elastic band method, we discuss an application of the cNEO-DFT approach to studying the adsorption of a hydrogen molecule on the Si(001) surfaces. The calculation shows how NQE impacts the reaction energetics. The proton density changes are computed along the reaction pathways. This work demonstrates the capability of the new cNEO-DFT method to study a wide range of chemical processes, such as surface reactions where the quantum nature of light atoms like protons is non-negligible.

Chemical processes↗
DOE OSTI2025

Surrogate-constructed scalable-circuits adaptive variational quantum eigensolver in the Schwinger model

Inspired by recent advancements in simulating periodic systems on quantum computers, we develop an approach to further advance the simulation of these systems, named (SC) 2 -ADAPT-VQE. Our approach extends the scalable-circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable “surrogate constructed” method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC) 2 methodology. Our approach allows for a wider set of classical computations on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute the properties of the Schwinger model—quantum electrodynamics for a single, massive fermion in 1 +1 dimensions—and show that our method can be used to accurately extrapolate to the continuum limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)$^2$-ADAPT-VQE, to further advance the simulation of these systems. Our approach extends the scalable circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable ``Surrogate Constructed'' method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC)$^2$ methodology. Our approach allows for a wider set of classical computations, on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute properties of the Schwinger model - quantum electrodynamics for a single, massive fermion in $1+1$ dimensions - and show that our method can be used to accurately extrapolate to the continuum limit.

Gustafson, Erik [RIACS, Mtn. View] (ORCID:00000001↗
DOE OSTI2026

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗
NASA NTRS1972

A new model for dual-spin satellites.

A new mathematical model for the analysis of dissipative dual-spin satellites has been developed. This model makes explicit use of the fact that the high speed rotor is symmetric by modeling the rotor energy dissipation with symmetrically placed dampers. This permits the use of a quasi-holonomic transformation for the reduction of the periodic system of variational equations to an autonomous system in accordance with the Floquet Theory and the Liapunov Reducibility Theorem.-

Guha, A. K.↗
NASA NTRS1974

Experiments with a four-bladed cyclic pitch stirring model rotor, part 3

The experimental work with the 2-bladed 16-inch diameter model rotor has been continued with a 4-bladed 16.5 inch diameter rotor capable of progressing and regressing cyclic pitch excitation (cyclic pitch stirring). Advance ratios of 0, .19 and .38 were tested at rotor speeds corresponding to non-dimensional blade natural frequencies of 1:14 and 1.19. The results are presented in the form of the first 5 Fourier components of the periodic response modulating function which for a periodic system takes the place of the complex response amplitude ratio of a constant system. In addition, the first and second harmonics of the trim response are presented. The test data are compared to analytical data without rotor wake and to the test data obtained earlier with the two-bladed rotor model of half the blade solidity ratio.

Hohenemser, K. H.↗