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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Dynamic behavior of dissymmetric rotor bearings modelled with a periodic coefficient large system

The instability and unbalance response of dissymmetric rotor-bearing systems containing periodic coefficients when modeling produces matrices with a large number of degrees of freedom are discussed. It is important to solve the equations and then predict the dynamic behavior of the system. This can be done knowing the instability areas and the unbalance response in the stable areas. One deals here with a large number of equations and a reduction of the number of degrees of freedom of the system is achieved through a pseudo modal method. This method is shown to give satisfactory results.

Guilhen, P. M.↗
NASA NTRS1974

On the use of first order rotor dynamics in multiblade coordinates

This paper is directed to the question of how to represent most efficiently rotor/body coupling in a linear flight dynamics analysis. Rigid body pitch, roll and vertical motions are considered for the rotor/body coupling studies. Flapping stability limits, eigenvalues, transient responses to control step inputs, to step gusts and to random gusts are determined for a hypothetical hingeless compound helicopter operating up to .8 advance ratio. Data are obtained for the basic helicopter and for the craft with two simple control feedback systems. While complete periodic system modeling is necessary for determining flapping stability limits and vibrations, constant system modeling using first order dynamics in each of the multiblade rotor coordinates was found to be adequate for rotor-craft stability and response computations.

Hohenemser, K. H.↗
NASA NTRS1986

The evolution of ultrashort period binary systems

A discussion is presented concerning the results of detailed evolutionary calculations in which a very low mass and hydrogen-depleted semiattached binary star containing a collapsed object can reach an exceptionally short orbital period while sustaining a relatively high mass transfer rate. The observed properties of such systems can be understood under the assumption that they contain moderately to severely hydrogen-defficient secondary stars that are neither fully degenerate nor burning He. It is noted that for extremely hydrogen-depleted stars, the assumption of chemical homogeneity becomes untenable. Attention is given to the binary systems 4U 1626-67, 4U 1916-05, and G61-29.

Nelson, L. A.↗
NASA NTRS1989

Spacelab system analysis: The modified free access protocol: An access protocol for communication systems with periodic and Poisson traffic

The protocol definition and terminal hardware for the modified free access protocol, a communications protocol similar to Ethernet, are developed. A MFA protocol simulator and a CSMA/CD math model are also developed. The protocol is tailored to communication systems where the total traffic may be divided into scheduled traffic and Poisson traffic. The scheduled traffic should occur on a periodic basis but may occur after a given event such as a request for data from a large number of stations. The Poisson traffic will include alarms and other random traffic. The purpose of the protocol is to guarantee that scheduled packets will be delivered without collision. This is required in many control and data collection systems. The protocol uses standard Ethernet hardware and software requiring minimum modifications to an existing system. The modification to the protocol only affects the Ethernet transmission privileges and does not effect the Ethernet receiver.

Ingels, Frank↗
NASA NTRS1973

Concepts for a theoretical and experimental study of lifting rotor random loads and vibrations (identification of lifting rotor system parameters from transient response data), Phase 7-B

System identification methods have been applied to rotorcraft to estimate stability derivatives from transient flight control response data. While these applications assumed a linear constant coefficient representation of the rotorcraft, the computer experiments used transient responses in flap-bending and torsion of a rotor blade at high advance ratio which is a rapidly time varying periodic system. It was found that a simple system identification method applying a linear sequential estimator also called least square estimator or equation of motion estimator, is suitable for this periodic system and can be used directly if only the acceleration data are noise polluted. In the case of noise being present also in the state variable data the direct application of the estimator gave poor results.

Hohenemser, K. H.↗
DOE OSTI2022

Spectral quadrature for the first principles study of crystal defects: Application to magnesium

In this work, we present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing non-local pseudopotentials, local reformulation of electrostatics, and truncation of the spatial Kohn-Sham Hamiltonian, and the Linear Scaling Spectral Quadrature method to solve for the pointwise electronic fields in real-space and the non-local component of the atomic force, we develop a parallel finite difference framework suitable for distributed memory computing architectures to simulate non-periodic systems embedded in a bulk environment. Choosing examples from magnesium-aluminum alloys, we first demonstrate the convergence of energies and forces with respect to spectral quadrature polynomial order, and the width of the spatially truncated Hamiltonian. Next, we demonstrate the parallel scaling of our framework, and show that the computation time and memory scale linearly with respect to the number of atoms. Next, we use the developed framework to simulate isolated point defects and their interactions in magnesium-aluminum alloys. Our findings conclude that the binding energies of divacancies, Al solute-vacancy and two Al solute atoms are anisotropic and are dependent on cell size. Furthermore, the binding is favorable in all three cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Frequency domain solutions to multi-degree-of-freedom, dry friction damped systems under periodic excitation

The anticipated low damping level in large space structures (LSS) has been a major concern for the designers of these structures. Low damping degrades the free response and complicates the design of shape and attitude controllers for flexible spacecraft. Dry friction damping has been considered as a means of increasing the passive damping of LSS, by placing it in the joints and connecting junctures of structures. However, dry friction is highly nonlinear and, hence, analytical investigations are difficult to perform. Here, a multi-harmonic, frequency domain solution technique is developed and applied to a multi-DOF, dry friction damped system. It is seen that the multi-harmonic method is much more accurate than traditional, one harmonic solution methods. The method also compares well with time integration. Finally, comparisons are made with experimental results.

Ferri, A. A.↗
DOE OSTI2024

Finite-size effects in periodic coupled cluster calculations

Here, we provide the first rigorous study of the finite-size error in the simplest and representative coupled cluster theory, namely the coupled cluster doubles (CCD) theory, for gapped periodic systems. Given exact Hartree-Fock orbitals and their corresponding orbital energies, we demonstrate that the correlation energy obtained from the approximate CCD method, after a finite number of fixed-point iterations over the amplitude equation, exhibits a finite-size error scaling as $\mathcal{O}(N^{-\frac{1}{3}}_k)$. Here $N_k$ is the number of discretization points in the Brillouin zone and characterizes the system size. Under additional assumptions ensuring the convergence of the fixed-point iterations, we demonstrate that the CCD correlation energy also exhibits a finite-size error scaling as $\mathcal{O}(N^{-\frac{1}{3}}_k)$. Our analysis shows that the dominant error lies in the coupled cluster amplitude calculation, and the convergence of the finite-size error in energy calculation can be boosted to $\mathcal{O}(N^{-1}_k)$ with accurate amplitudes. This also provides the first proof of the scaling of the finite-size error in the third order Møller-Plesset perturbation theory (MP3) for periodic systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

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

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Health Monitoring of a Satellite System

A health monitoring system based on analytical redundancy is developed for satellites on elliptical orbits. First, the dynamics of the satellite including orbital mechanics and attitude dynamics is modelled as a periodic system. Then, periodic fault detection filters are designed to detect and identify the satellite's actuator and sensor faults. In addition, parity equations are constructed using the algebraic redundant relationship among the actuators and sensors. Furthermore, a residual processor is designed to generate the probability of each of the actuator and sensor faults by using a sequential probability test. Finally, the health monitoring system, consisting of periodic fault detection lters, parity equations and residual processor, is evaluated in the simulation in the presence of disturbances and uncertainty.

Chen, Robert H.↗
NASA NTRS1989

Optimal feedback control infinite dimensional parabolic evolution systems: Approximation techniques

A general approximation framework is discussed for computation of optimal feedback controls in linear quadratic regular problems for nonautonomous parabolic distributed parameter systems. This is done in the context of a theoretical framework using general evolution systems in infinite dimensional Hilbert spaces. Conditions are discussed for preservation under approximation of stabilizability and detectability hypotheses on the infinite dimensional system. The special case of periodic systems is also treated.

Banks, H. T.↗
NASA NTRS1989

Optimal feedback control of infinite-dimensional parabolic evolution systems - Approximation techniques

A general approximation framework is discussed for computation of optimal feedback controls in linear quadratic regular problems for nonautonomous parabolic distributed parameter systems. This is done in the context of a theoretical framework using general evolution systems in infinite dimensional Hilbert spaces. Conditions are discussed for preservation under approximation of stabilizability and detectability hypotheses on the infinite dimensional system. The special case of periodic systems is also treated.

Banks, H. T.↗
DOE OSTI2021

Unexpected Short-period Variability in Dwarf Carbon Stars from the Zwicky Transient Facility

Dwarf carbon (dC) stars, main-sequence stars showing carbon molecular bands, are enriched by mass transfer from a previous asymptotic-giant-branch (AGB) companion, which has since evolved to a white dwarf. While previous studies have found radial-velocity variations for large samples of dCs, there are still relatively few dC orbital periods in the literature and no dC eclipsing binaries have yet been found. Here, we analyze photometric light curves from DR5 of the Zwicky Transient Facility for a sample of 944 dC stars. From these light curves, we identify 34 periodically variable dC stars. Remarkably, of the periodic dCs, 82% have periods less than two days. We also provide spectroscopic follow-up for four of these periodic systems, measuring radial velocity variations in three of them. Short-period dCs are almost certainly post-common-envelope binary systems, because the periodicity is most likely related to the orbital period, with tidally locked rotation and photometric modulation on the dC either from spots or from ellipsoidal variations. We discuss evolutionary scenarios that these binaries may have taken to accrete sufficient C-rich material while avoiding truncation of the thermally pulsing AGB phase needed to provide such material in the first place. We compare these dCs to common-envelope models to show that dC stars probably cannot accrete enough C-rich material during the common-envelope phase, suggesting another mechanism like wind-Roche lobe overflow is necessary. The periodic dCs in this paper represent a prime sample for spectroscopic follow-up and for comparison to future models of wind-Roche lobe overflow mass transfer.

79 ASTRONOMY AND ASTROPHYSICS↗