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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 991 records · Page 55

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NASA NTRS1973

Long-term motion in a restricted problem of rotational motion

A method of general perturbations, based on the use of Lie series to generate approximate canonical transformations, is applied to study the long-term effects of gravity-gradient torque and orbital evolution on the rotational motion of a triaxial, rigid satellite. The center of mass of the satellite is constrained to move in an elliptic orbit about an attracting point mass. The orbit, which has a constant inclination, is constrained to precess and spin with constant rates. The method of general perturbations is used to obtain the Hamiltonian for the nonresonant secular and long-period rotational motion of the satellite to second order in n/omega sub 0, where n is the orbital mean motion of the center of mass and omega sub 0 is a reference value of the magnitude of the satellite's rotational angular velocity. The differential equations derivable from the transformed Hamiltonian are integrable, and the solution for the long-term motion may be expressed in terms of Jacobian elliptic functions and elliptic integrals. Geometrical aspects of the long-term rotational motion are discussed, and a comparison of theoretical results with observations is made.

Cochran, J. E.↗

NASA NTRS1973

Wall boundary equations with slip and catalysis for multicomponent, nonequilibrium gas flows

Boundary equations obtained for a low Reynolds number, high enthalpy gas flow in regions of velocity slip and temperature jump are presented. The formulation treats, through a first-order distribution function used to include multicomponent diffusion, a multicomponent gas mixture that may be in nonequilibrium with finite-rate catalytic recombination occurring on the wall. In the boundary equations, which are obtained for use in flow-field calculations applicable to low-density flow regimes, a simplified gas/wall interaction is assumed wherein individual atoms or molecules either reflect specularly off the wall or stick and are fully accommodated. Fluxes in terms of evaluated integrals over the distribution function and integrals necessary for determining fluxes are given.

Scott, C. D.↗

NASA NTRS1977

Boolean differentiation and integration using Karnaugh maps

Algorithms are presented for differentiation and integration of Boolean functions by means of Karnaugh maps. The algorithms are considered simple when the number of variables is six or less; in this case Boolean differentiation and integration is said to be as easy as the Karnaugh map method of simplifying switching functions. It is suggested that the algorithms would be useful in the analysis of faults in combinational systems and in the synthesis of asynchronous sequential systems which utilize edge-sensitive flip-flops.

Tucker, J. H.↗

DOE OSTI2021

Diffusion Tensor Imaging-Based Analysis of Baseline Neurocognitive Function and Posttreatment White Matter Changes in Pediatric Patients With Craniopharyngioma Treated With Surgery and Proton Therapy

To determine the preirradiation baseline association of white matter integrity with neurocognitive function and to assess posttreatment changes in pediatric patients with craniopharyngioma treated with proton therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2013

Carbon Dioxide Conversion to Valuable Chemical Products over Composite Catalytic Systems

Presented is an experimental study on catalytic conversion of carbon dioxide into methanol, ethanol and acetic acid. Catalysts having different catalytic functions were synthesized and combined in different ways to enhance selectivity to desired products. The combined catalyst system possessed the following functions: methanol synthesis, Fischer-Tropsch synthesis, water-gas-shift and hydrogenation. Results showed that the methods of integrating these catalytic functions played important role in achieving desired product selectivity. It was speculated that if methanol synthesis sites were located adjacent to the C-C chain growth sites, the formation rate of C2 oxygenates would be enhanced. The advantage of using high temperature methanol catalyst PdZnAl in the combined catalyst system was demonstrated. In the presence of PdZnAl catalyst, the combined catalyst system was stable at temperature of 380oC. It was observed that, at high temperature, kinetics favored oxygenate formation. Results implied that the process can be intensified by operating at high temperature using Pd-based methanol synthesis catalyst. Steam reforming of the byproduct organics was demonstrated as a means to provide supplemental hydrogen. Preliminary process design, simulation, and economic analysis of the proposed CO2 conversion process were carried out. Economic analysis indicates how ethanol production cost was affected by the price of CO2 and hydrogen.

Dagle, Robert A.↗

DOE OSTI2023

Shadow energy functionals and potentials in Born–Oppenheimer molecular dynamics

In Born–Oppenheimer molecular dynamics (BOMD) simulations based on the density functional theory (DFT), the potential energy and the interatomic forces are calculated from an electronic ground state density that is determined by an iterative self-consistent field optimization procedure, which, in practice, never is fully converged. The calculated energies and forces are, therefore, only approximate, which may lead to an unphysical energy drift and instabilities. Here, we discuss an alternative shadow BOMD approach that is based on backward error analysis. Instead of calculating approximate solutions for an underlying exact regular Born–Oppenheimer potential, we do the opposite. Instead, we calculate the exact electron density, energies, and forces, but for an underlying approximate shadow Born–Oppenheimer potential energy surface. In this way, the calculated forces are conservative with respect to the approximate shadow potential and generate accurate molecular trajectories with long-term energy stabilities. We show how such shadow Born–Oppenheimer potentials can be constructed at different levels of accuracy as a function of the integration time step, δt, from the constrained minimization of a sequence of systematically improvable, but approximate, shadow energy density functionals. For each energy functional, there is a corresponding ground state Born–Oppenheimer potential. These pairs of shadow energy functionals and potentials are higher-level generalizations of the original “zeroth-level” shadow energy functionals and potentials used in extended Lagrangian BOMD. The proposed shadow energy functionals and potentials are useful only within this extended dynamical framework, where also the electronic degrees of freedom are propagated as dynamical field variables together with the atomic positions and velocities. The theory is quite general and can be applied to MD simulations using approximate DFT, Hartree–Fock, or semi-empirical methods, as well as to coarse-grained flexible charge models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Active control of the forced and transient response of a finite beam

Structural vibrations from a point force are modelled on a finite beam. This research explores the theoretical limit on controlling beam vibrations utilizing another point source as an active controller. Three different types of excitation are considered, harmonic, random, and transient. For harmonic excitation, control over the entire beam length is possible only when the excitation frequency is near a resonant frequency of the beam. Control over a subregion may be obtained even between resonant frequencies at the cost of increasing the vibration outside of the control region. For random excitation, integrating the expected value of the displacement squared over the required interval, is shown to yield the identical cost function as obtained by integrating the cost function for harmonic excitation over all excitation frequencies. As a result, it is always possible to reduce the cost function for random excitation whether controlling the entire beam or just a subregion, without ever increasing the vibration outside the region in which control is desired. The last type of excitation considered is a single, transient pulse. The form of the controller is specified as either one or two delayed pulses, thus constraining the controller to be casual. The best possible control is examined while varying the region of control and the controller location. It is found that control is always possible using either one or two control pulses.

Post, John T.↗

DOE OSTI2015

Multi-technology Investigation of the Atomic Structure of Calcium Silicate Hydrates

In this study, synthetic C-S-H samples were investigated to reveal the feature at atomic scale. Rietveld refinement was applied to high resolution X-ray scattering data, yielding the lattice constants of the pseudocrystal structure, as well as the crystallinity along three axes. Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra was collected at calcium L3,2-edge. Evolution of calcium coordination symmetry were studied by investigating spectra characteristics. Pair Distribution Function (PDF) study yields the statistics of atom pair distribution. Coordination number of Ca and Si were obtained by integrating Radial distribution function. Atomic model based on dimeric structure were discussed and compared with experimental data. Synthetic C-S-H samples with increasing Ca/Si ratio exhibit pseudo-crystal structure, resembling Dreierketten configuration similar to natural tobermorite structure. Along c-axis, the repeated structure could not survives two layers in case of low Ca/Si ratio (0.70, 1.05). But in high Ca/Si ratio (1.42) case, the crystallinity along c-axis is much bigger. The coordination number of Ca decreases with increasing Ca/Si ratio. Octahedrally coordinated Ca are observed in sample with Ca/Si ratio of 1.42. Various dimeric models are compared with experimental data. In case of Ca/Si ratio of 1.42, SiO4 tetrahedron chain needs to be shortened in linkage, most probably by substituting bridging SiO4 tetrahedron with CaO6 octahedron. These octahedrons in interlayer space act like pins to join two adjacent layer structures together. The crystallinity is thus increased along c-axis, and average coordination number is therefore reduced. In case of Ca/Si 1.05, crystallinity is low along c-axis since, indicating that not too many Ca ions exist in interlayer space to hold two layers together. Instead, negative charge of end oxygen could be balanced by proton. Ca/Si 0.70 has long tetrahedron chain linkage within layer while the linkage between adjacent layers are not strong, resulting in low crystallinity along c-axis. Neither Ca/Si ratio 0.70 nor 1.42 sample contains any Ca in octahedral symmetry, as indicated by the weak crystal field splitting of NEXAFS spectra.

Atomic Configuration↗

NASA NTRS1988

Structural optimization of rotor blades with integrated dynamics and aerodynamics

The problem of structural optimization of helicopter rotor blades with integrated dynamic and aerodynamic design considerations is addressed. Results of recent optimization work on rotor blades for minimum weight with constraints on multiple coupled natural flap-lag frequencies, blade autorotational inertia and centrifugal stress has been reviewed. A strategy has been defined for the ongoing activities in the integrated dynamic/aerodynamic optimization of rotor blades. As a first step, the integrated dynamic/airload optimization problem has been formulated. To calculate system sensitivity derivatives necessary for the optimization recently developed, Global Sensitivity Equations (GSE) are being investigated. A need for multiple objective functions for the integrated optimization problem has been demonstrated and various techniques for solving the multiple objective function optimization are being investigated. The method called the Global Criteria Approach has been applied to a test problem with the blade in vacuum and the blade weight and the centrifugal stress as the multiple objectives. The results indicate that the method is quite effective in solving optimization problems with conflicting objective functions.

Chattopadhyay, Aditi↗

NASA NTRS1989

Structural optimization of rotor blades with integrated dynamics and aerodynamics

Chattopadhyay, Aditi↗

DOE OSTI2015

Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods

A fast and accurate scheme has been developed to evaluate two key molecular parameters (on-site energies and transfer integrals) that govern charge transport in organic supramolecular architecture devices. The scheme is based on a constrained density functional theory (CDFT) approach implemented in the linear-scaling BigDFT code that exploits a wavelet basis set. The method has been applied to model disordered structures generated by force-field simulations. Finally, the role of the environment on the transport parameters has been taken into account by building large clusters around the active molecules involved in the charge transfer.

Chemical calculations↗

NASA NTRS2000

Closed-form integrator for the quaternion (euler angle) kinematics equations

The invention is embodied in a method of integrating kinematics equations for updating a set of vehicle attitude angles of a vehicle using 3-dimensional angular velocities of the vehicle, which includes computing an integrating factor matrix from quantities corresponding to the 3-dimensional angular velocities, computing a total integrated angular rate from the quantities corresponding to a 3-dimensional angular velocities, computing a state transition matrix as a sum of (a) a first complementary function of the total integrated angular rate and (b) the integrating factor matrix multiplied by a second complementary function of the total integrated angular rate, and updating the set of vehicle attitude angles using the state transition matrix. Preferably, the method further includes computing a quanternion vector from the quantities corresponding to the 3-dimensional angular velocities, in which case the updating of the set of vehicle attitude angles using the state transition matrix is carried out by (a) updating the quanternion vector by multiplying the quanternion vector by the state transition matrix to produce an updated quanternion vector and (b) computing an updated set of vehicle attitude angles from the updated quanternion vector. The first and second trigonometric functions are complementary, such as a sine and a cosine. The quantities corresponding to the 3-dimensional angular velocities include respective averages of the 3-dimensional angular velocities over plural time frames. The updating of the quanternion vector preserves the norm of the vector, whereby the updated set of vehicle attitude angles are virtually error-free.

Whitmore, Stephen A.↗

DOE OSTI2018

Numerical integration method for triple integrals using the second kind Chebyshev wavelets and Gauss–Legendre quadrature

In this paper, a computational method combining the second kind Chebyshev wavelets and Gauss–Legendre quadrature is proposed for numerical integrations of arbitrary functions over regions like cuboid, tetrahedron, cylinder, cone, paraboloid and ellipsoid. Gauss–Legendre quadrature is used to convert a triple integral into a double integral and integral regions are transformed to the standard integration region by linear and nonlinear transformation. Moreover, convergence and accuracy estimation of the second kind Chebyshev wavelets expansion of two dimensions is given. Illustrative examples have been demonstrated to show the applicability and accuracy of the present method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Support of domain decomposition-based solvers in Chroma

In multilevel integration, the correlation functions are decomposed into factors that depend only on fields localized into lattice subdomains so that they can be independently integrated. Although the standard formulation of the LQCD action is not local in the presence of fermions, past studies have shown approximations of the quark propagator and the fermionic determinant dependent on the gauge fields within specific subdomains can still be effective. We will present our current progress in supporting domain decomposition within Chroma, which is necessary for multilevel integration approaches. The efforts are focused on extending the code base to efficiently manipulate subdomains for lattice fields and operators and performing inversions and eigendecompositions within domains.

Alcalde, Eloy Romero↗

DOE OSTI2015

Activity Diagrams for DEVS Models: A Case Study Modeling Health Care Behavior

Discrete Event Systems Specification (DEVS) is a widely used formalism for modeling and simulation of discrete and continuous systems. While DEVS provides a sound mathematical representation of discrete systems, its practical use can suffer when models become complex. Five main functions, which construct the core of atomic modules in DEVS, can realize the behaviors that modelers want to represent. The integration of these functions is handled by the simulation routine, however modelers can implement each function in various ways. Therefore, there is a need for graphical representations of complex models to simplify their implementation and facilitate their reproduction. In this work, we illustrate the use of activity diagrams for this purpose in the context of a health care behavior model, which is developed with an agent-based modeling paradigm.

Activity diagram↗

DOE OSTI2014

A computational method for solving stochastic Itô–Volterra integral equations based on stochastic operational matrix for generalized hat basis functions

In this paper, a new computational method based on the generalized hat basis functions is proposed for solving stochastic Itô–Volterra integral equations. In this way, a new stochastic operational matrix for generalized hat functions on the finite interval [0,T] is obtained. By using these basis functions and their stochastic operational matrix, such problems can be transformed into linear lower triangular systems of algebraic equations which can be directly solved by forward substitution. Also, the rate of convergence of the proposed method is considered and it has been shown that it is O(1/(n{sup 2}) ). Further, in order to show the accuracy and reliability of the proposed method, the new approach is compared with the block pulse functions method by some examples. The obtained results reveal that the proposed method is more accurate and efficient in comparison with the block pule functions method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1999

Design of a 2.5 Gbps Optical Transmitter for the International Space Station

A high data rate laser transmitter assembly (LTA) has been designed as the source for an optical free-space communication link between the International Space Station and the 1-meter Optical Communication Telescope Laboratory (OCTL) to be built at the Table Mountain Facility (IMF, Wrightwood, CA). The transmitter design concept uses a fiber-based master oscillator power amplifier (MOPA) configuration with an average output power of 200 made at a 1550 nm transmit wavelength. This transmitter source is also designed to provide a signal at 980 nm to the Silicon-based focal plane array for the point-ahead beam control function. This novel integration of a 980 nm boresight signal allows the use of Silicon based imagers for the acquisition/tracking and point-ahead functions, yet permits the transmit signal to be at any wavelength outside the Silicon sensitivity. The LTA, a sub-system of the Flight Terminal, has been designed to have a selectable data rate from 155 - 2500 Mbps in discrete steps. It also incorporates a 2.5 Gbps pseudo-random bit sequence (PRBS) generator for complete link testing and diagnostics. The design emphasizes using commercial off the shelf components (COTS).

Ortiz, Gerardo G.↗

NASA NTRS2015

NASA's Functional Task Test: Providing Information for an Integrated Countermeasure System

Exposure to the microgravity conditions of spaceflight causes astronauts to experience alterations in multiple physiological systems. These physiological changes include sensorimotor disturbances, cardiovascular deconditioning, and loss of muscle mass and strength. Some or all of these changes might affect the ability of crewmembers to perform critical mission tasks immediately after landing on a planetary surface. The goals of the Functional Task Test (FTT) study were to determine the effects of spaceflight on functional tests that are representative of critical exploration mission tasks and to identify the key physiological factors that contribute to decrements in performance. The FTT was comprised of seven functional tests and a corresponding set of interdisciplinary physiological measures targeting the sensorimotor, cardiovascular and muscular changes associated with exposure to spaceflight. Both Shuttle and ISS crewmembers participated in this study. Additionally, we conducted a supporting study using the FTT protocol on subjects before and after 70 days of 6 head-down bed rest. The bed rest analog allowed us to investigate the impact of body unloading in isolation on both functional tasks and on the underlying physiological factors that lead to decrements in performance, and then to compare them with the results obtained in our spaceflight study. Spaceflight data were collected on three sessions before flight, on landing day (Shuttle only) and 1, 6 and 30 days after landing. Bed rest subjects were tested three times before bed rest and immediately after getting up from bed rest as well as 1, 6, and 12 days after reambulation. We have shown that for Shuttle, ISS and bed rest subjects, functional tasks requiring a greater demand for dynamic control of postural equilibrium (i.e. fall recovery, seat egress/obstacle avoidance during walking, object translation, jump down) showed the greatest decrement in performance. Functional tests with reduced requirements for postural stability (i.e. hatch opening, ladder climb, manual manipulation of objects and tool use) showed little reduction in performance. These changes in functional performance were paralleled by similar decrements in sensorimotor tests designed to specifically assess postural equilibrium and dynamic gait control. Bed rest subjects experienced similar deficits both in functional tests with balance challenges and in sensorimotor tests designed to evaluate postural and gait control as spaceflight subjects indicating that body support unloading experienced during spaceflight plays a central role in post-flight alteration of functional task performance. To determine how differences in body-support loading experienced during in-flight treadmill exercise affect postflight functional performance, the loading history for each subject during in-flight treadmill (T2) exercise was correlated with postflight measures of performance. ISS crewmembers who walked on the treadmill with higher pull-down loads had enhanced post-flight performance on tests requiring mobility. Taken together the spaceflight and bed rest data point to the importance of supplementing inflight exercise countermeasures with balance and sensorimotor adaptability training. These data also support the notion that inflight treadmill exercise performed with higher body loading provides sensorimotor benefits leading to improved performance on functional tasks that require dynamic postural stability and mobility.

Bloomberg, J. J.↗