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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

Ricca, Alessandra↗
NASA NTRS2002

Efficient Reformulation of the Thermoelastic Higher-order Theory for Fgms

Functionally graded materials (FGMs) are characterized by spatially variable microstructures which are introduced to satisfy given performance requirements. The microstructural gradation gives rise to continuously or discretely changing material properties which complicate FGM analysis. Various techniques have been developed during the past several decades for analyzing traditional composites and many of these have been adapted for the analysis of FGMs. Most of the available techniques use the so-called uncoupled approach in order to analyze graded structures. These techniques ignore the effect of microstructural gradation by employing specific spatial material property variations that are either assumed or obtained by local homogenization. The higher-order theory for functionally graded materials (HOTFGM) is a coupled approach developed by Aboudi et al. (1999) which takes the effect of microstructural gradation into consideration and does not ignore the local-global interaction of the spatially variable inclusion phase(s). Despite its demonstrated utility, however, the original formulation of the higher-order theory is computationally intensive. Herein, an efficient reformulation of the original higher-order theory for two-dimensional elastic problems is developed and validated. The use of the local-global conductivity and local-global stiffness matrix approach is made in order to reduce the number of equations involved. In this approach, surface-averaged quantities are the primary variables which replace volume-averaged quantities employed in the original formulation. The reformulation decreases the size of the global conductivity and stiffness matrices by approximately sixty percent. Various thermal, mechanical, and combined thermomechanical problems are analyzed in order to validate the accuracy of the reformulated theory through comparison with analytical and finite-element solutions. The presented results illustrate the efficiency of the reformulation and its advantages in analyzing functionally graded materials.

Bansal, Yogesh↗
NASA NTRS2003

Applicability of Markets to Global Scheduling in Grids: Critical Examination of General Equilibrium Theory and Market Folklore

Markets are often considered superior to other global scheduling mechanisms for distributed computing systems. This claim is supported by: a casual observation from our every-day life that markets successfully equilibrate supply and demand, and the features of markets which originate in the general equilibrium theory, e.g., efficiency and the lack of necessity of 2 central controller. This paper describes why such beliefs in markets are not warranted. It does so by examining the general equilibrium theory, in terms of scope, abstraction, and interpretation. Not only does the general equilibrium theory fail to provide a satisfactory explanation of actual economies, including a computing-resource economy, it also falls short of supplying theoretical foundations for commonly held views of market desirability. This paper also points out that the argument for the desirability of markets involves circular reasoning and that the desirability can be established only vis-a-vis a scheduling goal. Finally, recasting the conclusion of Arrow's Impossibility Theorem as that for global scheduling, we conclude that there exists no market-based scheduler that is rational (in the sense defined in microeconomic theory), takes into account utility of more than one user, and yet yields a Pareto-optimal outcome for arbitrary user utility functions.

Nakai, Junko↗
NASA NTRS2003

High-Pressure Transport Properties Of Fluids: Theory And Data From Levitated Drops At Combustion-Relevant Temperatures

Although the high pressure multicomponent fluid conservation equations have already been derived and approximately validated for binary mixtures by this PI, the validation of the multicomponent theory is hampered by the lack of existing mixing rules for property calculations. Classical gas dynamics theory can provide property mixing-rules at low pressures exclusively. While thermal conductivity and viscosity high-pressure mixing rules have been documented in the literature, there is no such equivalent for the diffusion coefficients and the thermal diffusion factors. The primary goal of this investigation is to extend the low pressure mixing rule theory to high pressures and validate the new theory with experimental data from levitated single drops. The two properties that will be addressed are the diffusion coefficients and the thermal diffusion factors. To validate/determine the property calculations, ground-based experiments from levitated drops are being conducted.

Bellan, Josette↗
NASA NTRS2003

Review of Work Done with Professor Nussenzveig Regarding the Mie Theory

Prof. Nussenzveig has dedicated part of his career to a surprising and unusual pursuit harking back to the heyday of classical physics: Mie theory, or the scattering of electromagnetic radiation by a homogeneous sphere. M e theory was not put forward until around 1908 (nearly simultaneously by Debye in a different form) and was quickly forgotten in the rush to the then-new quantum mechanics. It remained somewhat of a backwater until Prof. Nussenzveig brought it back by adapting complex angular momentum ideas from Regge pole theory, which had originally been invented for quantum mechanics. Since 1960, he has made fundamental contributions to actually understanding (as opposed to merely calculating) Mie theory. I became involved with this work in 1978 by inviting Prof. Nussenzveig to visit me at the National Center for Atmospheric Research. Since then we have written several papers together on approximate methods for Mie cross-sections, bubble scattering, and other subjects. This lecture will review that work, ending with his recent work on Mie resonances. The emphasis will be on the applications in atmospheric sciences.

Wiscombe, W.↗
NASA NTRS2003

Vortex Loops at the Superfluid Lambda Transition: An Exact Theory?

A vortex-loop theory of the superfluid lambda transition has been developed over the last decade, with many results in agreement with experiments. It is a very simple theory, consisting of just three basic equations. When it was first proposed the main uncertainty in the theory was the use Flory scaling to find the fractal dimension of the random-walking vortex loops. Recent developments in high-resolution Monte Carlo simulations have now made it possible to verify the accuracy of this Flory-scaling assumption. Although the loop theory is not yet rigorously proven to be exact, the Monte Carlo results show at the least that it is an extremely good approximation. Recent loop calculations of the critical Casimir effect in helium films in the superfluid phase T < Tc will be compared with similar perturbative RG calculations in the normal phase T > Tc; the two calculations are found to match very nicely right at Tc.

Williams, Gary A.↗
NASA NTRS2005

Second-order multiple-scattering theory associated with backscattering enhancement for a millimeter wavelength weather radar with a finite beam width

Effects of multiple scattering on reflectivity are studied for millimeter wavelength weather radars. A time-independent vector theory, including up to second-order scattering, is derived for a single layer of hydrometeors of a uniform density and a uniform diameter. In this theory, spherical waves with a Gaussian antenna pattern are used to calculate ladder and cross terms in the analytical scattering theory. The former terms represent the conventional multiple scattering, while the latter terms cause backscattering enhancement in both the copolarized and cross-polarized components. As the optical thickness of the hydrometeor layer increases, the differences from the conventional plane wave theory become more significant, and essentially, the reflectivity of multiple scattering depends on the ratio of mean free path to radar footprint radius. These results must be taken into account when analyzing radar reflectivity for use in remote sensing.

radar reflectivity↗
NASA NTRS2006

The Curious Events Leading to the Theory of Shock Waves

We review the history of the development of the modern theory of shock waves. Several attempts at an early-theory quickly collapsed for lack of foundations in mathematics and thermodynamics. It is not until the works of Rankine and later Hugoniot that a full theory is established. Rankine is the first to show that within the shock a non-adiabatic process must occur. Hugoniot showed that in the absence of viscosity and heat conduction conservation of energy implies conservation of entropy in smooth regions and a jump in entropy across a shock. Even after the theory is fully developed, old notions continue to pervade the literature well into the early part of the 20th Century.

Salas, Manuel D.↗
NASA NTRS2009

Further Development of Ko Displacement Theory for Deformed Shape Predictions of Nonuniform Aerospace Structures

The Ko displacement theory previously formulated for deformed shape predictions of nonuniform beam structures is further developed mathematically. The further-developed displacement equations are expressed explicitly in terms of geometrical parameters of the beam and bending strains at equally spaced strain-sensing stations along the multiplexed fiber-optic sensor line installed on the bottom surface of the beam. The bending strain data can then be input into the displacement equations for calculations of local slopes, deflections, and cross-sectional twist angles for generating the overall deformed shapes of the nonuniform beam. The further-developed displacement theory can also be applied to the deformed shape predictions of nonuniform two-point supported beams, nonuniform panels, nonuniform aircraft wings and fuselages, and so forth. The high degree of accuracy of the further-developed displacement theory for nonuniform beams is validated by finite-element analysis of various nonuniform beam structures. Such structures include tapered tubular beams, depth-tapered unswept and swept wing boxes, width-tapered wing boxes, and double-tapered wing boxes, all under combined bending and torsional loads. The Ko displacement theory, combined with the fiber-optic strain-sensing system, provide a powerful tool for in-flight deformed shape monitoring of unmanned aerospace vehicles by ground-based pilots to maintain safe flights.

Ko, William L.↗
NASA NTRS2011

NASA's Heliophysics Theory Program - Accomplishments in Life Cycle Ending 2011

NASA's Heliophysics Theory Program (HTP) is now into a new triennial cycle of funded research, with new research awards beginning in 2011. The theory program was established by the (former) Solar Terrestrial Division in 1980 to redress a weakness of support in the theory area. It has been a successful, evolving scientific program with long-term funding of relatively large "critical mass groups" pursuing theory and modeling on a scale larger than that available within the limits of traditional NASA Supporting Research and Technology (SR&T) awards. The results of the last 3 year funding cycle, just ended, contributed to ever more cutting edge theoretical understanding of all parts of the Sun-Earth Connection chain. Advances ranged from the core of the Sun out into the corona, through the solar wind into the Earth's magnetosphere and down to the ionosphere and lower atmosphere, also contributing to understanding the environments of other solar system bodies. The HTP contributions were not isolated findings but continued to contribute to the planning and implementation of NASA spacecraft missions and to the development of the predictive computer models that have become the workhorses for analyzing satellite and ground-based measurements.

Grebowsky, J.↗
NASA NTRS2012

Design of a Laboratory Hall Thruster with Magnetically Shielded Channel Walls, Phase III: Comparison of Theory with Experiment

A proof-of-principle effort to demonstrate a technique by which erosion of the acceleration channel in Hall thrusters of the magnetic-layer type can be eliminated has been completed. The first principles of the technique, now known as "magnetic shielding," were derived based on the findings of numerical simulations in 2-D axisymmetric geometry. The simulations, in turn, guided the modification of an existing 6-kW laboratory Hall thruster. This magnetically shielded (MS) thruster was then built and tested. Because neither theory nor experiment alone can validate fully the first principles of the technique, the objective of the 2-yr effort was twofold: (1) to demonstrate in the laboratory that the erosion rates can be reduced by >order of magnitude, and (2) to demonstrate that the near-wall plasma properties can be altered according to the theoretical predictions. This paper concludes the demonstration of magnetic shielding by reporting on a wide range of comparisons between results from numerical simulations and laboratory diagnostics. Collectively, we find that the comparisons validate the theory. Near the walls of the MS thruster, theory and experiment agree: (1) the plasma potential has been sustained at values near the discharge voltage, and (2) the electron temperature has been lowered by at least 2.5-3 times compared to the unshielded (US) thruster. Also, based on carbon deposition measurements, the erosion rates at the inner and outer walls of the MS thruster are found to be lower by at least 2300 and 1875 times, respectively. Erosion was so low along these walls that the rates were below the resolution of the profilometer. Using a sputtering yield model with an energy threshold of 25 V, the simulations predict a reduction of ~600 at the MS inner wall. At the outer wall ion energies are computed to be below 25 V, for which case we set the erosion to zero in the simulations. When a 50-V threshold is used the computed ion energies are below the threshold at both sides of the channel. Uncertainties, sensitivities and differences between theory and experiment are also discussed.

plasma simulations↗
NASA NTRS2017

A Theory of Immersion Freezing

Immersion freezing is likely involved in the initiation of precipitation and determines to large extent the phase partitioning in convective clouds. Theoretical models commonly used to describe immersion freezing in atmospheric models are based on the classical nucleation theory which however neglects important interactions near the immersed particle that may affect nucleation rates. This work introduces a new theory of immersion freezing based on two premises. First, immersion ice nucleation is mediated by the modification of the properties of water near the particle-liquid interface, rather than by the geometry of the ice germ. Second, the same mechanism that leads to the decrease in the work of germ formation also decreases the mobility of water molecules near the immersed particle. These two premises allow establishing general thermodynamic constraints to the ice nucleation rate. Analysis of the new theory shows that active sites likely trigger ice nucleation, but they do not control the overall nucleation rate nor the probability of freezing. It also suggests that materials with different ice nucleation efficiency may exhibit similar freezing temperatures under similar conditions but differ in their sensitivity to particle surface area and cooling rate. Predicted nucleation rates show good agreement with observations for a diverse set of materials including dust, black carbon and bacterial ice nucleating particles. The application of the new theory within the NASA Global Earth System Model (GEOS-5) is also discussed.

Ice Nucleating particle↗
NASA NTRS1953

Some problems on the theory of creep

The term creep of metals is applied to the phenomenon in which, at temperatures beyond a certain limit, the metal subjected to a load slowly undergoes deformation with time. For the case of steel, the creep phenomenon must be taken into account at temperatures above 400 degrees C. Very slow deformations for a prolonged period are cumulative and lead either to inadmissible changes in the dimensions of a structural part or to its failure. The theory of creep constitutes part of the mechanics of dense media and the mechanical formulation of the problem may be given as the following: a body is subjected to the action of a given system of forces, or initial displacements are prescribed on its surface. It is required to find the stress distribution in the body and the changes or its deformations with time. For the solution of the problem of creep as thus formulated, a mechanical theory of creep is required. Such theory must necessarily bear an external, overall character based, not on the investigation of microprocesses, but on the results of mechanical tests.

METALS - CREEP↗
NASA NTRS2003

Applications of Ergodic Theory to Coverage Analysis

The study of differential equations, or dynamical systems in general, has two fundamentally different approaches. We are most familiar with the construction of solutions to differential equations. Another approach is to study the statistical behavior of the solutions. Ergodic Theory is one of the most developed methods to study the statistical behavior of the solutions of differential equations. In the theory of satellite orbits, the statistical behavior of the orbits is used to produce 'Coverage Analysis' or how often a spacecraft is in view of a site on the ground. In this paper, we consider the use of Ergodic Theory for Coverage Analysis. This allows us to greatly simplify the computation of quantities such as the total time for which a ground station can see a satellite without ever integrating the trajectory, see Lo 1,2. More over, for any quantity which is an integrable function of the ground track, its average may be computed similarly without the integration of the trajectory. For example, the data rate for a simple telecom system is a function of the distance between the satellite and the ground station. We show that such a function may be averaged using the Ergodic Theorem.

Ergodic Theory↗
NASA NTRS1965

Scattering theories and radar return

Scattering theories and radar return - theory of bistatic radar return from statistically rough surface and literature survey on scattering theories

SURFACE ROUGHNESS↗
NASA NTRS1972

Lifting-surface theory for calculating the loading induced on a wing by a flap

A method is described for using lifting-surface theory to obtain the pressure distribution on a wing with a trailing-edge flap or control surface. The loading has a logarithmic singularity at the flap edges, which may be determined directly by the method of matched asymptotic expansions. Expressions are given for the singular flap loading for various flap hinge line and side edge geometries, both for steady and unsteady flap deflection. The regular part of the flap loading must be obtained by inverting the lifting-surface-theory integral equation relating the pressure and the downwash on the wing: procedures are described to accomplish this for a general wing and flap geometry. The method is applied to several example wings, and the results are compared with experimental data. Theory and test correlate well.

Johnson, W. A.↗
NASA NTRS1971

A note on 'The main problem of satellite theory for small eccentricities, by A. Deprit and A. Rom, 1970.'

Criticism of Deprit and Rom's (1970) extension of Brouwer's (1959) first-order satellite theory to the third order in J sub 2. It is noted that Deprit and Rom's theory suffers from the drawback that the perturbations of all orders are expressed as infinite power series in the eccentricity e. It is demonstrated that Deprit and Rom's reported failure to extend Brouwer's theory to the second order in a closed form by means of Lie transforms is due to an oversight and is not caused by difficulties inherent in the problem or in the particular perturbation method used.

Aksnes, K.↗