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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 NTRS1998

Isosurface Extraction in Time-Varying Fields Using a Temporal Hierarchical Index Tree

Many high-performance isosurface extraction algorithms have been proposed in the past several years as a result of intensive research efforts. When applying these algorithms to large-scale time-varying fields, the storage overhead incurred from storing the search index often becomes overwhelming. this paper proposes an algorithm for locating isosurface cells in time-varying fields. We devise a new data structure, called Temporal Hierarchical Index Tree, which utilizes the temporal coherence that exists in a time-varying field and adoptively coalesces the cells' extreme values over time; the resulting extreme values are then used to create the isosurface cell search index. For a typical time-varying scalar data set, not only does this temporal hierarchical index tree require much less storage space, but also the amount of I/O required to access the indices from the disk at different time steps is substantially reduced. We illustrate the utility and speed of our algorithm with data from several large-scale time-varying CID simulations. Our algorithm can achieve more than 80% of disk-space savings when compared with the existing techniques, while the isosurface extraction time is nearly optimal.

Shen, Han-Wei↗
NASA NTRS1999

The Atomization Energy of Mg4

The atomization energy of Mg4 is determined using the MP2 and CCSD(T) levels of theory. Basis set incompleteness, basis set extrapolation, and core-valence effects are discussed. Our best atomization energy, including the zero-point energy and scalar relativistic effects, is 24.6+/-1.6 kcal per mol. Our computed and extrapolated values are compared with previous results, where it is observed that our extrapolated MP2 value is good agreement with the MP2-R12 value. The CCSD(T) and MP2 core effects are found to have the opposite signs.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1999

Correlation Consistent Basis Sets for In

Correlation consistent basis sets are developed for a 13 electron correlation treatment of In atom. The basis sets are used in all-electron (AE) and effective core potential (ECP) calculations. The atomization energies of InCl and InCl3 are used as a test of the basis set. The results are extrapolated to the complete basis set (CBS) limit. The AE and ECP CCSD(T) CBS values are in very good mutal when the AE values are corrected for scalar relativistic effects. The best computed values are in good agreement with experiment.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1999

TiCl, TiH and TiH+ Bond Energies, a Test of a Correlation Consistent Ti Basis Set

Correlation consistent basis sets are developed for Ti atom. The polarization functions are optimized for the average of the 3F and 5F states. One series of correlation consistent basis sets is for 3d and 4s correlation, while the second series includes 3s and 3p correlation as well as 3d and 4s correlation. These basis sets are tested using the Ti 3F-5F separation and the dissociation energies of TiCl X4Phi, TiH X4Phi, and TiH(+) X3Phi. The CCSD(T) complete basis set limit values are determined by extrapolation. The Douglas Kroll approach is used to compute the scalar relativistic effect. Spin-orbit effects are taken from experiment and/or computed at the CASSCF level. The Ti 3F-5F separation is in excellent agreement with experiment, while the TiCl, TiH, and TiH(+) bond energies are in good agreement with experiment. Extrapolation with the valence basis set is consistent with other atoms, while including 3s and 3p correlation appears to make extrapolation.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1999

Accurate In Bond Energies

InXn atomization energies are computed for n = 1-3 and X = H, Cl, and CH3. The geometries and frequencies are determined using density functional theory. The atomization energies are computed at the coupled cluster level of theory. The complete basis set limit is obtained by extrapolation. The scalar relativistic effect is computed using the Douglas-Kroll approach. While the heats of formation for InH, InCl and InCl3 are in good agreement with experiment, the current results show that the experimental value for In(CH3)3 must be wrong.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2002

An Introduction to Tensors for Students of Physics and Engineering

Tensor analysis is the type of subject that can make even the best of students shudder. My own post-graduate instructor in the subject took away much of the fear by speaking of an implicit rhythm in the peculiar notation traditionally used, and helped us to see how this rhythm plays its way throughout the various formalisms. Prior to taking that class, I had spent many years "playing" on my own with tensors. I found the going to be tremendously difficult but was able, over time, to back out some physical and geometrical considerations that helped to make the subject a little more transparent. Today, it is sometimes hard not to think in terms of tensors and their associated concepts. This article, prompted and greatly enhanced by Marlos Jacob, whom I've met only by e-mail, is an attempt to record those early notions concerning tensors. It is intended to serve as a bridge from the point where most undergraduate students "leave off" in their studies of mathematics to the place where most texts on tensor analysis begin. A basic knowledge of vectors, matrices, and physics is assumed. A semi-intuitive approach to those notions underlying tensor analysis is given via scalars, vectors, dyads, triads, and higher vector products. The reader must be prepared to do some mathematics and to think. For those students who wish to go beyond this humble start, I can only recommend my professor's wisdom: find the rhythm in the mathematics and you will fare pretty well.

Kolecki, Joseph C.↗
NASA NTRS2002

LYAPUNOV-Based Sensor Failure Detection and Recovery for the Reverse Water Gas Shift Process

Livingstone, a model-based AI software system, is planned for use in the autonomous fault diagnosis, reconfiguration, and control of the oxygen-producing reverse water gas shift (RWGS) process test-bed located in the Applied Chemistry Laboratory at KSC. In this report the RWGS process is first briefly described and an overview of Livingstone is given. Next, a Lyapunov-based approach for detecting and recovering from sensor failures, differing significantly from that used by Livingstone, is presented. In this new method, models used are in t e m of the defining differential equations of system components, thus differing from the qualitative, static models used by Livingstone. An easily computed scalar inequality constraint, expressed in terms of sensed system variables, is used to determine the existence of sensor failures. In the event of sensor failure, an observer/estimator is used for determining which sensors have failed. The theory underlying the new approach is developed. Finally, a recommendation is made to use the Lyapunov-based approach to complement the capability of Livingstone and to use this combination in the RWGS process.

Haralambous, Michael G.↗
NASA NTRS2002

Simultaneous Raman-Rayleigh-LIF Measurements and Numerical Modeling Results of a Lifted H2/N2 Turbulent Jet Flame in a Vitiated Coflow

An experimental and numerical investigation is presented of a H2/N2 turbulent jet flame burner that has a novel vitiated coflow. The vitiated coflow emulates the recirculation region of most combustors, such as gas turbines or furnaces. Additionally, since the vitiated gases are coflowing, the burner allows for exploration of recirculation chemistry without the corresponding fluid mechanics of recirculation. Thus the vitiated coflow burner design facilitates the development of chemical kinetic combustion models without the added complexity of recirculation fluid mechanics. Scalar measurements are reported for a turbulent jet flame of H2/N2 in a coflow of combustion products from a lean ((empty set) = 0.25) H2/Air flame. The combination of laser-induced fluorescence, Rayleigh scattering, and Raman scattering is used to obtain simultaneous measurements of the temperature, major species, as well as OH and NO. Laminar flame calculation with equal diffusivity do agree when the premixing and preheating that occurs prior to flame stabilization is accounted for in the boundary conditions. Also presented is an exploratory pdf model that predicts the flame's axial profiles fairly well, but does not accurately predict the lift-off height.

Cabra, R.↗
NASA NTRS2003

Finite Volume Methods: Foundation and Analysis

Finite volume methods are a class of discretization schemes that have proven highly successful in approximating the solution of a wide variety of conservation law systems. They are extensively used in fluid mechanics, porous media flow, meteorology, electromagnetics, models of biological processes, semi-conductor device simulation and many other engineering areas governed by conservative systems that can be written in integral control volume form. This article reviews elements of the foundation and analysis of modern finite volume methods. The primary advantages of these methods are numerical robustness through the obtention of discrete maximum (minimum) principles, applicability on very general unstructured meshes, and the intrinsic local conservation properties of the resulting schemes. Throughout this article, specific attention is given to scalar nonlinear hyperbolic conservation laws and the development of high order accurate schemes for discretizing them. A key tool in the design and analysis of finite volume schemes suitable for non-oscillatory discontinuity capturing is discrete maximum principle analysis. A number of building blocks used in the development of numerical schemes possessing local discrete maximum principles are reviewed in one and several space dimensions, e.g. monotone fluxes, E-fluxes, TVD discretization, non-oscillatory reconstruction, slope limiters, positive coefficient schemes, etc. When available, theoretical results concerning a priori and a posteriori error estimates are given. Further advanced topics are then considered such as high order time integration, discretization of diffusion terms and the extension to systems of nonlinear conservation laws.

Barth, Timothy↗
NASA NTRS2002

A Discontinuous Galerkin Discretization of the Eikonal Equation on Curved Piecewise Isoparametric Triangulated Manifolds

This viewgraph presentation provides information on optimizing the travel distance between two points on a curved surface. The presentation addresses the single source shortest path problem, fast algorithms for estimating the eikonal equation, fast schemes and barrier theorems, and the discontinuous Galerkin method, including hyperbolic causality, finite element method, scalars, and marching the discontinuous Galerkin Eikonal approximation.

Barth, TIm↗
NASA NTRS2003

A Vertically Lagrangian Finite-Volume Dynamical Core for Global Models

A finite-volume dynamical core with a terrain-following Lagrangian control-volume discretization is described. The vertically Lagrangian discretization reduces the dimensionality of the physical problem from three to two with the resulting dynamical system closely resembling that of the shallow water dynamical system. The 2D horizontal-to-Lagrangian-surface transport and dynamical processes are then discretized using the genuinely conservative flux-form semi-Lagrangian algorithm. Time marching is split- explicit, with large-time-step for scalar transport, and small fractional time step for the Lagrangian dynamics, which permits the accurate propagation of fast waves. A mass, momentum, and total energy conserving algorithm is developed for mapping the state variables periodically from the floating Lagrangian control-volume to an Eulerian terrain-following coordinate for dealing with physical parameterizations and to prevent severe distortion of the Lagrangian surfaces. Deterministic baroclinic wave growth tests and long-term integrations using the Held-Suarez forcing are presented. Impact of the monotonicity constraint is discussed.

Lin, Shian-Jiann↗
NASA NTRS2003

First Year Wilkinson Microwave Anisotropy Probe (WMAP)Observations: Preliminary Maps and Basic Results

We present full sky microwave maps in five frequency bands (23 to 94 GHz) from the WMAP first year sky survey. Calibration errors are less than 0.5% and the low systematic error level is well specified. The cosmic microwave background (CMB) is separated from the foregrounds using multifrequency data. The sky maps are consistent with the 7 in. full-width at half-maximum (FWHM) Cosmic Background Explorer (COBE) maps. We report more precise, but consistent, dipole and quadrupole values. The CMB anisotropy obeys Gaussian statistics with -58 less than f(sub NL) less than 134 (95% CL). The 2 less than or = l less than or = 900 anisotropy power spectrum is cosmic variance limited for l less than 354 with a signal-to-noise ratio greater than 1 per mode to l = 658. The temperature-polarization cross-power spectrum reveals both acoustic features and a large angle correlation from reionization. The optical depth of reionization is tau = 0.17 +/- 0.04, which implies a reionization epoch of t(sub r) = 180(sup +220, sub -80) Myr (95% CL) after the Big Bang at a redshift of z(sub r) = 20(sup +10, sub -9) (95% CL) for a range of ionization scenarios. This early reionization is incompatible with the presence of a significant warm dark matter density. A best-fit cosmological model to the CMB and other measures of large scale structure works remarkably well with only a few parameters. The age of the best-fit universe is t(sub 0) = 13.7 +/- 0.2 Gyr old. Decoupling was t(sub dec) = 379(sup +8, sub -7)kyr after the Big Bang at a redshift of z(sub dec) = 1089 +/- 1. The thickness of the decoupling surface was Delta(sub z(sub dec)) = 195 +/- 2. The matter density of the universe is Omega(sub m)h(sup 2) = 0.135(sup +0.008, sub -0.009) the baryon density is Omega(sub b)h(sup 2) = 0.0224 +/- 0.0009, and the total mass-energy of the universe is Omega(sub tot) = 1.02 +/- 0.02. There is progressively less fluctuation power on smaller scales, from WMAP to fine scale CMB measurements to galaxies and finally to the Ly-alpha forest. This is accounted for with a running spectral index, significant at the approx. 2(sigma) level. The spectral index of scalar fluctuations is fit as n(sub s) = 0.93 +/-0.03 at wavenumber k(sub o) = 0.05/Mpc ((sub eff) approx. = 700), with a slope of dn(sub s)/d I(sub nk) = -0.031(sup + 0.016, sub -0.018) in the best-fit model.

Bennett, C. L.↗
NASA NTRS2003

Failure of Anisotropic Unstructured Mesh Adaption Based on Multidimensional Residual Minimization

An automated anisotropic unstructured mesh adaptation strategy is proposed, implemented, and assessed for the discretization of viscous flows. The adaption criteria is based upon the minimization of the residual fluctuations of a multidimensional upwind viscous flow solver. For scalar advection, this adaption strategy has been shown to use fewer grid points than gradient based adaption, naturally aligning mesh edges with discontinuities and characteristic lines. The adaption utilizes a compact stencil and is local in scope, with four fundamental operations: point insertion, point deletion, edge swapping, and nodal displacement. Evaluation of the solution-adaptive strategy is performed for a two-dimensional blunt body laminar wind tunnel case at Mach 10. The results demonstrate that the strategy suffers from a lack of robustness, particularly with regard to alignment of the bow shock in the vicinity of the stagnation streamline. In general, constraining the adaption to such a degree as to maintain robustness results in negligible improvement to the solution. Because the present method fails to consistently or significantly improve the flow solution, it is rejected in favor of simple uniform mesh refinement.

Wood, William A.↗
NASA NTRS2003

Optimal Observations for Variational Data Assimilation

An important aspect of Ocean state estimation is the design of an observing system that allows the efficient study of climate aspects in the ocean. A solution of the design problem is presented here in terms of optimal observations that emerge as nondimensionalized singular vectors of the modified data resolution matrix. The actual computation is feasible only for scalar quantities in the limit of large observational errors. In the framework of a lo resolution North Atlantic primitive equation model it is demonstrated that such optimal observations when applied to determining the strength of the volume and heat transport across the Greenland-Scotland ridge, perform significantly better than traditional section data. On seasonal to inter-annual time-scales optimal observations are located primarily along the continental shelf and information about heat-transport, wind stress and stratification is being communicated via boundary waves and advective processes. On time-scales of about a month, sea surface height observations appear to be more efficient in reconstructing the cross-ridge heat transport than hydrographic observations. Optimal observations also provide a tool for understanding how the ocean state is effected by anomalies of integral quantities such as meridional heat transport.

Koehl, Armin↗
NASA NTRS2003

Toward Immersed Boundary Simulation of High Reynolds Number Flows

In the immersed boundary (IB) method, the surface of an object is reconstructed with forcing terms in the underlying flow field equations. The surface may split a computational cell removing the constraint of the near wall gridlines to be aligned with the surface. This feature greatly simplifies the grid generation process which is cumbersome and expensive in particular for structured grids and complex geometries. The IB method is ideally suited for Cartesian flow solvers. The flow equations written in Cartesian coordinates appear in a very simple form and several numerical algorithms can be used for an efficient solution of the equations. In addition, the accuracy of numerical algorithms is dependent on the underlying grid and it usually deteriorates when the grid deviates from a Cartesian mesh. The challenge for the IB method lies in the representation of the wall boundaries and in providing an adequate near wall flow field resolution. The issue of enforcing no-slip boundary conditions at the immersed surface has been addressed by several authors by imposing a local reconstruction of the solution. Initial work by Verzicco et al. was based on a simple linear, one-dimensional operator and this approach proved to be accurate for boundaries largely aligned with the grid lines. Majumdar et al. used various multidimensional and high order polynomial interpolations schemes. These high order schemes, however, are keen to introduce wiggles and spurious extrema. Iaccarino & Verzicco and Kalitzin & Iaccarino proposed a tri-linear reconstruction for the velocity components and the turbulent scalars. A modified implementation that has proven to be more robust is reported in this paper. The issue of adequate near wall resolution in a Cartesian framework can initially be addressed by using a non-uniform mesh which is stretched near the surface. In this paper, we investigate an unstructured approach for local grid refinement that utilizes Cartesian mesh features. The computation of high Reynolds number wall bounded flows is particularly challenging as it requires the consideration of thin turbulent boundary layers, i.e. near wall regions with large gradients of the flow field variables. For such flows, the representation of the wall boundary has a large impact on the accuracy of the computation. It is also critical for the robustness and convergence of the flow solver.

Kalitzin, Georgi↗
NASA NTRS2003

Real-Time Attitude Independent Three Axis Magnetometer Calibration

In this paper new real-time approaches for three-axis magnetometer sensor calibration are derived. These approaches rely on a conversion of the magnetometer-body and geomagnetic-reference vectors into an attitude independent observation by using scalar checking. The goal of the full calibration problem involves the determination of the magnetometer bias vector, scale factors and non-orthogonality corrections. Although the actual solution to this full calibration problem involves the minimization of a quartic loss function, the problem can be converted into a quadratic loss function by a centering approximation. This leads to a simple batch linear least squares solution. In this paper we develop alternative real-time algorithms based on both the extended Kalman filter and Unscented filter. With these real-time algorithms, a full magnetometer calibration can now be performed on-orbit during typical spacecraft mission-mode operations. Simulation results indicate that both algorithms provide accurate integer resolution in real time, but the Unscented filter is more robust to large initial condition errors than the extended Kalman filter. The algorithms are also tested using actual data from the Transition Region and Coronal Explorer (TRACE).

Crassidis, John L.↗
NASA NTRS2004

High-Altitude Particle Acceleration and Radiation in Pulsar Slot Gaps

We explore the pulsar slot gap (SG) electrodynamics up to very high altitudes, where for most relatively rapidly rotating pulsars both the standard small-angle approximation and the assumption that the magnetic field lines are ideal stream lines break down. We address the importance of the electrodynamic conditions at the SG boundaries and the occurrence of a steady-state drift of charged particles across the SG field lines at very high altitudes. These boundary conditions and the cross-field particle motion determine the asymptotic behavior of the scalar potential at all radii from the polar cap (PC) to near the light cylinder. As a result, we demonstrate that the steady-state accelerating electric field, E(sub ll), must approach a small and constant value at high altitude above the PC. This E(sub ll) is capable of maintaining electrons moving with high Lorentz factors (approx. a few x 10(exp 7)) and emitting curvature gamma-ray photons up to nearly the light cylinder. By numerical simulations, we show that primary electrons accelerating from the PC surface to high altitude in the SG along the outer edge of the open field region will form caustic emission patterns on the trailing dipole field lines. Acceleration and emission in such an extended SG may form the physical basis of a model that can successfully reproduce some pulsar high-energy light curves.

Muslimov, Alex G.↗
NASA NTRS2003

A Scintillation Counter System Design To Detect Antiproton Annihilation using the High Performance Antiproton Trap(HiPAT)

The High Performance Antiproton Trap (HiPAT), a system designed to hold up to l0(exp 12) charge particles with a storage half-life of approximately 18 days, is a tool to support basic antimatter research. NASA's interest stems from the energy density represented by the annihilation of matter with antimatter, 10(exp 2)MJ/g. The HiPAT is configured with a Penning-Malmberg style electromagnetic confinement region with field strengths up to 4 Tesla, and 20kV. To date a series of normal matter experiments, using positive and negative ions, have been performed evaluating the designs performance prior to operations with antiprotons. The primary methods of detecting and monitoring stored normal matter ions and antiprotons within the trap includes a destructive extraction technique that makes use of a micro channel plate (MCP) device and a non-destractive radio frequency scheme tuned to key particle frequencies. However, an independent means of detecting stored antiprotons is possible by making use of the actual annihilation products as a unique indicator. The immediate yield of the annihilation event includes photons and pie mesons, emanating spherically from the point of annihilation. To "count" these events, a hardware system of scintillators, discriminators, coincident meters and multi channel scalars (MCS) have been configured to surround much of the HiPAT. Signal coincidence with voting logic is an essential part of this system, necessary to weed out the single cosmic ray events from the multi-particle annihilation shower. This system can be operated in a variety of modes accommodating various conditions. The first is a low-speed sampling interval that monitors the background loss or "evaporation" rate of antiprotons held in the trap during long storage periods; provides an independent method of validating particle lifetimes. The second is a high-speed sample rate accumulating information on a microseconds time-scale; useful when trapped antiparticles are extracted against a target, providing an indication of quantity. This paper details the layout of this system, setup of the hardware components around HiPAT, and applicable checkouts using normal matter radioactive sources.

Martin, James J.↗