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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 613 records · Page 34

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NASA NTRS1990

Development of microcomputer-based mental acuity tests for repeated-measures studies

The purpose of this report is to detail the development of the Automated Performance Test System (APTS), a computer battery of mental acuity tests that can be used to assess human performance in the presence of toxic elements and environmental stressors. There were four objectives in the development of APTS. First, the technical requirements for developing APTS followed the tenets of the classical theory of mental tests which requires that tests meet set criteria like stability and reliability (the lack of which constitutes insensitivity). To be employed in the study of the exotic conditions of protracted space flight, a battery with multiple parallel forms is required. The second criteria was for the battery to have factorial multidimensionality and the third was for the battery to be sensitive to factors known to compromise performance. A fourth objective was for the tests to converge on the abilities entailed in mission specialist tasks. A series of studies is reported in which candidate APTS tests were subjected to an examination of their psychometric properties for repeated-measures testing. From this work, tests were selected that possessed the requisite metric properties of stability, reliability, and factor richness. In addition, studies are reported which demonstrate the predictive validity of the tests to holistic measures of intelligence.

Kennedy, R. S.↗

NASA NTRS1990

Accuracy of the QUAD4 thick shell element

The accuracy of the relatively new QUAD4 thick shell element is assessed via comparison with a theoretical solution for thick homogeneous and honeycomb flat simply supported plates under the action of a uniform pressure load. The theoretical thick plate solution is based on the theory developed by Reissner and includes the effects of transverse shear flexibility which are not included in the thin plate solutions based on Kirchoff plate theory. In addition, the QUAD4 is assessed using a set of finite element test problems developed by the MacNeal-Schwendler Corp. (MSC). Comparison of the COSMIC QUAD4 element as well as those from MSC and Universal Analytics, Inc. (UAI) for these test problems is presented. The current COSMIC QUAD4 element is shown to have excellent comparison with both the theoretical solutions and also those from the two commercial versions of NASTRAN that it was compared to.

Case, William R.↗

NASA NTRS1991

Secular perturbation theory and computation of asteroid proper elements

A new theory for the calculation of proper elements is presented. This theory defines an explicit algorithm applicable to any chosen set of orbits and accounts for the effect of shallow resonances on secular frequencies. The proper elements are computed with an iterative algorithm and the behavior of the iteration can be used to define a quality code.

Milani, Andrea↗

NASA NTRS1992

Accuracy of the TRIA3 thick shell element

The accuracy of the new TRIA3 thick shell element is assessed via comparison with a theoretical solution for thick homogeneous and honeycomb flat simply supported plates under the action of a uniform pressure load. The theoretical thick plate solution is based on the theory developed by Reissner and includes the effects of transverse shear flexibility which are not included in the thin plate solutions based on Kirchoff plate theory. In addition, the TRIA3 is assessed using a set of finite element test problems developed by the MacNeal-Schwendler Corp. (MSC). Comparison of the COSMIC TRIA3 element as well as those from MSC and Universal Analytics Inc. (UAI) for these problems is presented. The current COSMIC TRIA3 element is shown to have excellent comparison with both the theoretical solutions and also those from the two commercial versions of NASTRAN with which it is compared.

Case, William R.↗

NASA NTRS1992

A second-order structural identification procedure via state space-based system identification

A theory is presented for transforming the system theory-based realization models into the corresponding physical coordinate-based structural models. The theory has been implemented into a computational procedure and applied to several example problems. The results show that the present transformation theory yields an objective model basis possessing a unique set of structural parameters from an infinite set of equivalent system realization models. For proportionally damped systems, the transformation directly and systematically yields the normal modes and modal damping. When non-proportional damping is present, the relative magnitude and phase of the damped model shapes are separately characterized, and a corrective transformation is then employed to capture the undamped normal modes and non-diagonal modal damping matrix.

Alvin, K. F.↗

NASA NTRS1991

Controls of interaction dynamics of orbital assembly

Building structures and spacecraft in orbit will require technologies for positioning, docking/berthing, and joining orbital structures. A fundamental problem underlying the operation of docking and berthing is that of controlling the contact dynamics of mechanical structures actuated by active mechanisms such as robotic devices. Control systems must be designed to control these active mechanisms so that both the free space motions and contact motions are stable and satisfy specifications on position accuracy and bounds on contact forces. For the large orbital structures of the future, the problem of interactive dynamics and control is fundamentally different in several ways than it was for spacecraft docking in the past. First, future space structures must be treated as flexible structures - the operations of docking, berthing, and assembly will need to respect the vibrations of the structures. Second, the assembly of these structures will require multiple-point contact, rather than the essentially single-point positioning of conventional spacecraft docking. Third, some assembly operations require the subassemblies to be brought and held in contact so that successful joining can be accomplished. A preliminary study of contact stability and compliance control design has resulted in the development of an analytical method and a design method to analyze stability. The analytical method analyzes the problem of stability when an actively-controlled structure contacts a passive structure. This method makes it possible to accurately estimate the stiffness of the passive structures with which the contact motion will become unstable. The analytic results suggest that passivity is neither achievable in practice, nor necessary as a design concept. A contact control system need only be passive up to a certain frequency; beyond that frequency the system can be stabilized with sufficiently small gains. With this concept the Center developed a design methodology for achieving desired compliant contact motions. This design method is based on H-infinity norm optimization, which makes it possible to consider both driving point mechanical impedance and systems robustness to modeling uncertainty. A laboratory facility was set up to verify experimentally the analytical and design theory.

Su, Renjeng↗

NASA NTRS1992

Consensus theoretic classification methods

Consensus theory is adopted as a means of classifying geographic data from multiple sources. The foundations and usefulness of different consensus theoretic methods are discussed in conjunction with pattern recognition. Weight selections for different data sources are considered and modeling of non-Gaussian data is investigated. The application of consensus theory in pattern recognition is tested on two data sets: 1) multisource remote sensing and geographic data and 2) very-high-dimensional remote sensing data. The results obtained using consensus theoretic methods are found to compare favorably with those obtained using well-known pattern recognition methods. The consensus theoretic methods can be applied in cases where the Gaussian maximum likelihood method cannot. Also, the consensus theoretic methods are computationally less demanding than the Gaussian maximum likelihood method and provide a means for weighting data sources differently.

Benediktsson, Jon A.↗

NASA NTRS1993

Bifurcation analysis of a simple analytic model of self-propagating star formation

We investigate the structure and stability of rotationally symmetric nonhomogeneous time-independent solutions derived from a simple analytic model of self-propagating star formation. For this purpose we employ two methodologies: We use bifurcation theoretical methods to prove the existence of nonhomogeneous axisymmetric stationary solutions of an appropriate nonlinear evolution equation for the stellar density. We show that the nonhomogeneous solution branch bifurcates from the homogeneous one at a critical parameter value of the star formation rate. Further, the analytical theory allows us to show that the new solution set is stable in the weakly nonlinear regime near the bifurcation point. To follow the solution branch further, we use numerical methods. The numerical calculation shows the structure and stability of these solutions. We conclude that no periodic time-dependent solutions of this special model exist, and no further bifurcations can be found. The same results have been found in simulations of stochastic self-propagating star formation based on similar models. Therefore, our findings provide a natural explanation, why long-lived large-scale structure have not been found in those simulations.

Neukirch, Thomas↗

NASA NTRS1999

Disturbance Dynamics in Transitional and Turbulent Flows

In order to expand the predictive capability of single-point turbulence closure models to account for the early-stage transition regime, a methodology for the formulation and calibration of model equations for the ensemble-averaged disturbance kinetic energy and energy dissipation rate is presented. First the decay of laminar disturbances and turbulence in mean shear-free flows is studied. In laminar flows, such disturbances are linear superpositions of modes governed by the Orr-Sommerfeld equation. In turbulent flows, disturbances are described through transport equations for representative mean quantities. The link between a description based on a deterministic evolution equation and a probability based mean transport equation is established. Because an uncertainty in initial conditions exists in the laminar as well as the turbulent regime, a probability distribution must be defined even in the laminar case. Using this probability distribution, it is shown that the exponential decay of the linear modes in the laminar regime can be related to a power law decay of both the (ensemble) mean disturbance kinetic energy and the dissipation rate. The evolution of these mean disturbance quantities is then described by transport equations similar to those for the corresponding turbulent decaying flow. Second, homogeneous shear flow, where disturbances can be described by rapid distortion theory (RDT), is studied. The relationship between RDT and linear stability theory is exploited in order to obtain a closed set of modeled equations. The linear disturbance equations are solved directly so that the numerical simulation yields a database from which the closure coefficients in the ensemble-averaged disturbance equations can be determined.

Grosch, Chester E.↗

NASA NTRS1997

Theoretical Characterization of the NNO...O3 and NNO...O Complexes

The bonding mechanisms and bond strengths of complexes between two molecular and/or atomic species will be discussed. The implications of complex formation for stratospheric chemistry will be presented. Results of theoretical calculations on NNO ... O3 and NNO ...O will be used as specific examples to illustrate the principles of complex formation. The equilibrium structures and binding energies of these complexes will be presented as well as shifts in other molecular properties due to complexation, such as vibrational frequencies. Thermal dissociation rates will be presented. The theoretical methodology used in this study consists of high-level coupled-cluster calculations and more approximate density functional theory approaches, together with large one-particle basis sets.

Lee, Timothy J.↗

NASA NTRS2010

Nondimensional Parameters and Equations for Nonlinear and Bifurcation Analyses of Thin Anisotropic Quasi-Shallow Shells

A comprehensive development of nondimensional parameters and equations for nonlinear and bifurcations analyses of quasi-shallow shells, based on the Donnell-Mushtari-Vlasov theory for thin anisotropic shells, is presented. A complete set of field equations for geometrically imperfect shells is presented in terms general of lines-of-curvature coordinates. A systematic nondimensionalization of these equations is developed, several new nondimensional parameters are defined, and a comprehensive stress-function formulation is presented that includes variational principles for equilibrium and compatibility. Bifurcation analysis is applied to the nondimensional nonlinear field equations and a comprehensive set of bifurcation equations are presented. An extensive collection of tables and figures are presented that show the effects of lamina material properties and stacking sequence on the nondimensional parameters.

Nemeth, Michael P.↗

NASA NTRS2018

Aladyn - Adaptive Neural Network Molecular Dynamics Simulation Code: Computational Materials Mini-Application

This report provides an overview and commands description of the Computational Materials mini-application, Aladyn. Aladyn is a simple molecular dynamics code written in FORTRAN 2008, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of quantum mechanics-based energy calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. The Aladyn code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing many core architectures based on graphic processing units (GPUs). The effort is related to the High Performance Computing Incubator (HPCI) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

DOE OSTI2021

Dimensionality reduction

This chapter presents an introduction to some of the key dimensionality reduction methods currently used in data science. The intended audience is pure mathematicians. The chapter puts special emphasis on connecting the fundamental ideas in dimensionality reduction to a diverse set of mathematical domains, including geometry, dynamical systems, representation theory, and category theory.

dimension reduction, geometry, dynamical systems, ↗

NASA NTRS1993

An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals

A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coefficients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-shell calculation. This formalism is therefore more efficient than the recently developed RMP, ROMP or RMP-MBPT theories. The perturbation theory described herein was designed to have a close correspondence with our recently proposed coupled-cluster theory based on symmetric spin orbitals. The first-order wavefunction contains contributions from only doubly excited determinants. Equilibrium structures and vibrational frequencies determined from second-order perturbation theory are presented for OH, NH, CH, 02, NH2 and CH2.

Lee, Timothy J.↗

DOE OSTI2021

Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces

Experimental and theoretical studies disagree on the energetics of methane adsorption on carbon materials. However, this information is critical for the rational design and optimization of the structure and composition of adsorbents for natural gas storage. The delicate nature of dispersion interactions, polarization of both the adsorbent and the adsorbate, interplay between H-bonding and tetrel bonding, and induced dipole/Coulomb interactions inherent to methane physisorption require computational treatment at the highest possible level of theory. In this study, we employed the smallest reasonable computational model, a maquette of porous carbon surfaces with a central site for substitution and methane binding. The most accurate predictions of methane adsorption energetics were achieved by electron-correlated molecular orbital theory CCSD(T) and hybrid density functional theory MN15 calculations employing a saturated, all-electron basis set. Here, the characteristic geometry of methane adsorption on a carbon surface (“lander approach”) arises due to bonding interactions of the adsorbent π-system with the proximal H–C bonds of methane, in addition to tetrel bonding between the antibonding orbital of the distal C–H bond and the central atom of the maquette (C, B, or N). The polarization of the electron density, structural deformations, and the comprehensive energetic analysis clearly indicate a ∼3 kJ mol –1 preference for methane binding on the N-substituted maquette. The B-substituted maquette showed a comparable or lower binding energy than the unsubstituted, pure C model, depending on the level of theory employed. The calculated thermodynamic results indicate a strategy for incorporating electron-enriched substitutions (e.g., N) into carbon materials as a way to increase methane storage capacity over electron-deficient (e.g., B) modifications. The thermochemical analysis was revised for establishing a conceptual agreement between the experimental isosteric heat of adsorption and the binding enthalpies from statistical thermodynamics principles.

03 NATURAL GAS↗

NASA NTRS2005

Measured Effects of Turbulence on the Loudness and Waveforms of Conventional and Shaped Minimized Sonic Booms

Turbulence has two distinctive effects on sonic booms: there is distortion in the form of random perturbations that appear behind the shock waves, and shock rise times are increased randomly. A first scattering theory by S.C. Crow in the late 1960s quantified the random distortions, and Crow's theory was shown to agree with available flight test data. A variety of theories for the shock thickness have been presented, all supporting the role of turbulence in increasing rise time above that of a basic molecular-relaxation structure. The net effect of these phenomena on the loudness of shaped minimized booms is of significant interest. Initial analysis suggests that there would be no change to average loudness, but this had not been experimentally investigated. The January 2004 flight test of the Shaped Sonic Boom Demonstrator (SSBD), together with a reference unmodified F-5E, included a 12500- foot linear ground sensor array with 28 digitally recorded sensor sites. This data set provides an opportunity to re-test Crow's theory for the post-shock perturbations, and to examine the net effect of turbulence on the loudness of shaped sonic booms.

Plotkin, Kenneth J.↗

NASA NTRS2002

Hierarchies of Models: Toward Understanding Planetary Nebulae

Stars like our sun (initial masses between 0.8 to 8 solar masses) end their lives as swollen red giants surrounded by cool extended atmospheres. The nuclear reactions in their cores create carbon, nitrogen and oxygen, which are transported by convection to the outer envelope of the stellar atmosphere. As the star finally collapses to become a white dwarf, this envelope is expelled from the star to form a planetary nebula (PN) rich in organic molecules. The physics, dynamics, and chemistry of these nebulae are poorly understood and have implications not only for our understanding of the stellar life cycle but also for organic astrochemistry and the creation of prebiotic molecules in interstellar space. We are working toward generating three-dimensional models of planetary nebulae (PNe), which include the size, orientation, shape, expansion rate and mass distribution of the nebula. Such a reconstruction of a PN is a challenging problem for several reasons. First, the data consist of images obtained over time from the Hubble Space Telescope (HST) and spectra obtained from Kitt Peak National Observatory (KPNO) and Cerro Tololo Inter-American Observatory (CTIO). These images are of course taken from a single viewpoint in space, which amounts to a very challenging tomographic reconstruction. Second, the fact that we have two disparate and orthogonal data types requires that we utilize a method that allows these data to be used together to obtain a solution. To address these first two challenges we employ Bayesian model estimation using a parameterized physical model that incorporates much prior information about the known physics of the PN. In our previous works we have found that the forward problem of the comprehensive model is extremely time consuming. To address this challenge, we explore the use of a set of hierarchical models, which allow us to estimate increasingly more detailed sets of model parameters. These hierarchical models of increasing complexity are akin to scientific theories of increasing sophistication, with each new model/theory being a refinement of a previous one by either incorporating additional prior information or by introducing a new set of parameters to model an entirely new phenomenon. We apply these models to both a simulated and a real ellipsoidal PN to initially estimate the position, angular size, and orientation of the nebula as a two-dimensional object and use these estimates to later examine its three-dimensional properties. The efficiency/accuracy tradeoffs of the techniques are studied to determine the advantages and disadvantages of employing a set of hierarchical models over a single comprehensive model.

Knuth, Kevin H.↗

NASA NTRS2003

Hierarchies of Models: Toward Understanding Planetary Nebulae

Knuth, Kevin H.↗