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Results for “approximation theory”

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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Thermodynamics and phase separation of dense fully-ionized hydrogen-helium fluid mixtures

The free energy of a hydrogen-helium fluid mixture is evaluated for the temperatures and densities appropriate to the deep interior of a giant planet such as Jupiter. The electrons are assumed to be fully pressure-ionized and degenerate. In this regime, an appropriate first approximation to the ionic distribution functions can be found by assuming hard sphere interactions. Corrections to this approximation are incorporated by means of the perturbation theory of Anderson and Chandler. Approximations for the three-body interactions and the nonlinear response of the electron gas to the ions are included. It is predicted that a hydrogen-helium mixture, containing 10% by number of helium ions, separates into hydrogen-rich and helium-rich phases below about 8000 K, at the pressures relevant to Jupiter (4-40 Megabars). It is also predicted that the alloy occupies less volume per ion than the separated phases. The equations of state and other thermodynamic derivatives are tabulated. Implications of these results are discussed.

Stevenson, D. J.↗
NASA NTRS1988

Galerkin approximation for inverse problems for nonautonomous nonlinear distributed systems

An abstract framework and convergence theory is developed for Galerkin approximation for inverse problems involving the identification of nonautonomous nonlinear distributed parameter systems. A set of relatively easily verified conditions is provided which are sufficient to guarantee the existence of optimal solutions and their approximation by a sequence of solutions to a sequence of approximating finite dimensional identification problems. The approach is based on the theory of monotone operators in Banach spaces and is applicable to a reasonably broad class of nonlinear distributed systems. Operator theoretic and variational techniques are used to establish a fundamental convergence result. An example involving evolution systems with dynamics described by nonstationary quasilinear elliptic operators along with some applications are presented and discussed.

Banks, H. T.↗
NASA NTRS1992

Reactive collision terms for fluid transport theory

A modified Bhatnagar-Gross-Krook (BGK) collision method is used for the derivation of reactive collision terms to allow for complete higher-moment approximations in fluid transport theory. The general reactive collision terms for the 8-, 10- and 13-moment approximation for binary reactions are derived. Then, reactive collision terms for specific chemistry are derived with the assumptions: (1) all reactants and products have 13-moment distribution functions; (2) simple, classical assumptions provide sufficient models for reaction dynamics; and (3) the reaction rate is energy-independent. The derived specific formulas reflect two extremes in reactive collision dynamics: direct and indirect reaction mechanisms. Finally, considerations for correct use of the reactive collision terms are discussed in the context of space plasma environments.

Eccles, J. V.↗
NASA NTRS1979

Anomalous growth of single ice crystals in solution

It is shown that major discrepancies exist between experiments and theory for ice crystal growth from solution. Accurate data, taken in a microgravity environment, approximate analytical models, and exact (probably numerical) models all are needed to advance our understanding of ice crystal growth phenomena. A new approximate semi-empirical theory is presented which predicts that a relatively sharp transition from natural convection control to diffusion control for ice growth in pure water occurs at a subcooling of about 10 C (a reduced temperature difference of about 0.125). No reliable data exist to test this prediction. The theory also predicts qualitatively the growth of ice in NaCl solution in which maxima in the growth rates are observed at various levels of subcooling.

Gill, W. N.↗
NASA NTRS1989

Numerical studies of identification in nonlinear distributed parameter systems

An abstract approximation framework and convergence theory for the identification of first and second order nonlinear distributed parameter systems developed previously by the authors and reported on in detail elsewhere are summarized and discussed. The theory is based upon results for systems whose dynamics can be described by monotone operators in Hilbert space and an abstract approximation theorem for the resulting nonlinear evolution system. The application of the theory together with numerical evidence demonstrating the feasibility of the general approach are discussed in the context of the identification of a first order quasi-linear parabolic model for one dimensional heat conduction/mass transport and the identification of a nonlinear dissipation mechanism (i.e., damping) in a second order one dimensional wave equation. Computational and implementational considerations, in particular, with regard to supercomputing, are addressed.

Banks, H. T.↗
NASA NTRS1977

Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. I - Close-coupling theory in the moving body-fixed frame. II - Hybrid theory and close-coupling theory: An /l subscript z-prime/-conserving close-coupling approximation

A detailed vibrational-rotational (V-R) close-coupling formulation of electron-diatomic-molecule scattering is developed in which the target molecular axis is chosen to be the z-axis and the resulting coupled differential equation is solved in the moving body-fixed frame throughout the entire interaction region. The coupled differential equation and asymptotic boundary conditions in the body-fixed frame are given for each parity, and procedures are outlined for evaluating V-R transition cross sections on the basis of the body-fixed transition and reactance matrix elements. Conditions are discussed for obtaining identical results from the space-fixed and body-fixed formulations in the case where a finite truncated basis set is used. The hybrid theory of Chandra and Temkin (1976) is then reformulated, relevant expressions and formulas for the simultaneous V-R transitions of the hybrid theory are obtained in the same forms as those of the V-R close-coupling theory, and distorted-wave Born-approximation expressions for the cross sections of the hybrid theory are presented. A close-coupling approximation that conserves the internuclear axis component of the incident electronic angular momentum (l subscript z-prime) is derived from the V-R close-coupling formulation in the moving body-fixed frame.

Choi, B. H.↗
DOE OSTI2025

Multireference diffusion Monte Carlo reaches 2D materials

Abstract Quantum confinement in 2D materials strongly enhances electronic correlation effects. Therefore, predicting the properties of these unique materials, with both a high level of accuracy and computational efficiency, without relying on adjustable parameters or functionals, remains an outstanding theoretical challenge. The majority of theoretical studies are based on the approximations of density functional theory (DFT). The reliability of DFT predictions are heavily dependent on the choice of an approximated exchange-correlation functional. Here, we estimate the magnitude of impact of correlation on the total energy for the quintessential 2D material, graphene, by performing and comparing state-of-the-art selected CI and quantum Monte Carlo extrapolated calculations for a single unit cell at the$$\Gamma$$point. We demonstrate that Self-Healing Diffusion Monte Carlo (SHDMC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis set dependence displayed by state of the art quantum chemistry methods. The SHDMC wavefunction is of higher quality compared to that obtained from sCI, in the same orbital basis, while being$$\sim$$ 1000 times smaller in terms of determinant count compared to sCI. We also demonstrate that extrapolating SHDMC results to the infinite determinant limit compares extremely well with complete basis set extrapolated sCI. Our work paves the way for future validation of SHDMC applied to challenging 2D materials.

Science & Technology - Other Topics↗
NASA NTRS1985

A new look at arbitrary motion unsteady aerodynamics and its application to rotary-wing aeroelasticity

Research on arbitrary motion unsteady aerodynamics, emphasizing applications to rotary wing aeroelastic problems, is reviewed. Generalization of Greenberg's theory and its application to hingeless rotor aeroelastic stability; a technique for formulating finite state approximations to unsteady aerodynamic theories, suitable for fixed and rotary-wing applications, and its application to generalize Loewy's theory; comparison of fixed wing and rotary wing indicial response functions; influence of arbitrary motion aerodynamics, as represented by dynamic inflow on a helicopter in ground resonance; and comparison of dynamic inflow with arbitrary motion unsteady airfoil aerodynamics are covered.

Friedmann, P. P.↗
NASA NTRS1976

A mathematical analysis of the theory of interplanetary scintillation in the weak scattering approximation

A simplified analytical technique is presented for modeling the interplanetary scintillation of radio sources of finite angular size with a power-law electron-density-fluctuation power spectrum. The simplification results from the representation of the scintillation spectrum in confluent hypergeometric functions. The approximations presented allow fast numerical evaluation of a spectrum for a weakly scattering but extended medium with less than 10% error over the entire spectrum. Parameters describing anisotropic electron irregularities as well as anisotropic source structure are included, and the dependence of the spectrum normalization on the scales of the medium is derived explicitly. The parametric description of the domains of convergence of the approximate expansions also provides a simple conceptualization of the relative contributions of the scattered radiation along the line of sight to the observed spectrum. This is particularly useful for sources of finite angular size. This technique is applied to previously published observations.

Mitchell, D. G.↗
NASA NTRS1961

Unsteady Aerodynamic Forces on a Slender Body of Revolution in Supersonic Flow

Linearized slender-body theory is applied to the computation of aerodynamic forces on an oscillating, or deforming, body in supersonic flow. The undeformed body is a body of revolution and the deformed body is represented by movement of a line through the centers of the cross sections which are assumed to remain circular. The time dependence is based on sinusoidal motion. For a body of vanishing thickness the slender-body theory yields the apparent mass approximation as it is obtained for incompressible crossflow around a cylinder. Both linearized slender-body theory and the apparent mass approximation are used to calculate the pitching-moment coefficients on a rigid slender body with a parabolic arc nose cone, and these coefficients are compared with some experimental results.

Bond, Reuben↗
NASA NTRS1973

Structure in the nonlinear saturation spectrum of parametric instabilities.

The nonlinear saturation spectrum of the decay instability is obtained in the limit of small spontaneous emission, for comparable ion and electron temperatures, from numerical solutions of a kinetic equation based on an accurate expression for the nonlinearity. The spectral energy occupies several pairs of isolated saucer-shaped regions in wave-vector space. The regions increase in thickness, angular diameter, and number as the pump power is increased. The theory thus predicts the generation of waves propagating in directions which can differ substantially from the direction of the pump field. Ionospheric observations confirm this prediction; they were difficult to reconcile with the predictions of previous theories based on an approximated expression for the nonlinearity. The present work also corrects the results of previous one-dimensional theories that used an accurate expression for the nonlinearity and predicted 'spectral lines' in the limit of vanishing spontaneous emission.

Fejer, J. A.↗
NASA NTRS1985

A new look at arbitrary motion unsteady aerodynamics and its application to rotary-wing aeroelasticity

This paper presents in a unified manner recent research on arbitrary motion unsteady aerodynamics with an emphasis on applications to a number of rotary wing aeroelastic problems. The term arbitrary motion is used to denote growing or decaying oscillations with a certain frequency. The specific topics treated in this paper are: (1) generalization of Greenberg's theory and its application to hingeless rotor aeroelastic stability; (2) description of a new technique for formulating finite state approximations to unsteady aerodynamic theories, which are suitable for both fixed-wing and rotary-wing applications, and its application to generalize Loewy's theory; (3) comparison of fixed wing and rotary-wing indicial response functions; (4) influence of a arbitrary motion aerodynamics, as represented by dynamic inflow on a helicopter in ground resonance and (5) comparison of dynamic inflow with arbitrary motion unsteady airfoil aerodynamics. From the discussion of these topics a number of useful conclusions on the fundamental nature of arbitrary motion aerodynamics and its role in rotary-wing aeroelasticity are obtained.

Friedmann, P. P.↗
NASA NTRS1986

Arbitrary motion unsteady aerodynamics and its application to rotary-wing aeroelasticity

This paper presents in a unified manner recent research on arbitrary motion unsteady aerodynamics with an emphasis on applications to a number of rotary wing aeroelastic problems. The term arbitrary motion is used to denote growing or decaying oscillations with a certain frequency. The specific topics treated in this paper are: (1) generalization of Greenberg's theory and its application to hingeless rotor aeroelastic stability; (2) description of a new technique for formulating finite state approximations to steady aerodynamic theories, which are suitable for both fixed-wing and rotary-wing applications, and its application to generalize Loewy's theory; (3) comparison of fixed wing and rotary-wing indicial response functions; (4) influence of arbitrary motion aerodynamics, as represented by dynamic inflow on a helicopter in ground resonance. From the discussion of these topics a number of useful conclusions on the fundamental nature of arbitrary motion aerodynamics and its role in rotary-wing aeroelasticity are obtained.

Friedmann, P. P.↗
NASA NTRS1961

Alignment Charts for Transport Properties Viscosity, Thermal Conductivity, and Diffusion Coefficients for Nonpolar Gases and Gas Mixtures at Low Density

Alignment charts (nomographs) designed to permit rapid calculations of the low-pressure transport properties of nonpolar gases and gas mixtures are presented. Calculations for pure gases are based on the rigorous kinetic theory of gases as applied to a realistic intermolecular force law. Mixture viscosities and conductivities are calculated from good approximations derived from rigorous theory. The properties are calculable with a precision of 2 percent or better. Accuracy depends on how well the constants characterizing the Intermolecular force law are known; if constants are derived from experimental data, results should be accurate to 5 percent or better. Force constants are tabulated for 65 gases.

Brokaw, Richard S.↗
DOE OSTI2024

A static quantum embedding scheme based on coupled cluster theory

Here, we develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment problem using a high-level CC method and address the environment problem with a lower-level Møller–Plesset (MP) perturbative method. This embedding approach inherits many conceptual developments from the hybrid second-order Møller–Plesset (MP2) and CC works by Nooijen [J. Chem. Phys. 111, 10815 (1999)] and Bochevarov and Sherrill [J. Chem. Phys. 122, 234110 (2005)]. We go beyond those works here by primarily targeting a specific localized fragment of a molecule and also introducing an alternative mechanism to relax the environment within this framework. We will call this approach MP-CC. We demonstrate the effectiveness of MP-CC on several potential energy curves and a set of thermochemical reaction energies, using CC with singles and doubles as the fragment solver, and MP2-like treatments of the environment. The results are substantially improved by the inclusion of orbital relaxation in the environment. Using localized bonds as the active fragment, we also report results for N=N bond breaking in azomethane and for the central C–C bond torsion in butadiene. We find that when the fragment Hilbert space size remains fixed (e.g., when determined by an intrinsic atomic orbital approach), the method achieves comparable accuracy with both a small and a large basis set. Additionally, our results indicate that increasing the fragment Hilbert space size systematically enhances the accuracy of observables, approaching the precision of the full CC solver.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Relativistic stellar stability: An empirical approach

The PPN formalism which encompasses the post-Newtonian limit of nearly every metric theory of gravity is used to analyze stellar stability. This analysis enables one to infer, for any given gravitation theory, the extent to which post-Newtonian effects induce instabilities in white dwarfs, in neutron stars, and in supermassive stars. It also reveals the extent to which our current empirical knowledge of post-Newtonian gravity (based on solar-system experiments) actually guarantees that relativistic instabilities exist. In particular, it shows that: (1) for conservative theories of gravity, current solar-system experiments guarantee that the critical adiabatic index, for the stability of stars against radial pulsations exceeds the Newtonian value of 4/3 and (2) for nonconservative theories, current experiments do not permit any firm conclusion about the sign of the critical adiabatic index, and (3) in the PPN approximation to every metric theory, the standard Schwarzschild criterion for convection is valid.

Ni, W.↗