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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 433 records · Page 24

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NASA NTRS1979

Vibrational dependence of pressure induced spectral linewidths and line shifts - Application of the infinite order sudden scattering approximation

The infinite order sudden (IOS) approximation to molecular rotation is applied to simplify the theory of linewidths and shifts in vibration-rotation spectra. This approximation is expected to be most accurate for hard, short-range collisions and is therefore complementary to Anderson theory which is best for weak, glancing collisions. The IOS approximation predicts identical linewidths and shifts for P- and R-branch transitions with the same line number. It also predicts zero line shifts for pure rotational spectra. The dependence of linewidths and shifts on vibrational band is seen to be due mainly to variation in diagonal vibrational matrix elements of the intermolecular potential. Calculations are performed for the 0-0, 0-1, and 0-2 bands of CO perturbed by He, using a theoretical interaction potential with no semiempirical or adjustable parameters; results are in satisfactory accord with experimental data.

Green, S.↗

NASA NTRS2005

Motion of a Drop on a Solid Surface Due to a Wettability Gradient

The hydrodynamic force experienced by a spherical-cap drop moving on a solid surface is obtained from two approximate analytical solutions and used to predict the quasi-steady speed of the drop in a wettability gradient. One solution is based on approximation of the shape of the drop as a collection of wedges, and the other is based on lubrication theory. Also, asymptotic results from both approximations for small contact angles, as well as an asymptotic result from lubrication theory that is good when the length scale of the drop is large compared with the slip length, are given. The results for the hydrodynamic force also can be used to predict the quasi-steady speed of a drop sliding down an incline.

Subramanian, R.↗

NASA NTRS1993

Truth-Valued-Flow Inference (TVFI) and its applications in approximate reasoning

The framework of the theory of Truth-valued-flow Inference (TVFI) is introduced. Even though there are dozens of papers presented on fuzzy reasoning, we think it is still needed to explore a rather unified fuzzy reasoning theory which has the following two features: (1) it is simplified enough to be executed feasibly and easily; and (2) it is well structural and well consistent enough that it can be built into a strict mathematical theory and is consistent with the theory proposed by L.A. Zadeh. TVFI is one of the fuzzy reasoning theories that satisfies the above two features. It presents inference by the form of networks, and naturally views inference as a process of truth values flowing among propositions.

Wang, Pei-Zhuang↗

NASA NTRS1986

A superconducting tunnel junction receiver for millimeter-wave astronomy

The development and construction of an ultralow noise heterodyne receiver for millimeter wave astronomy is described along with its use for 115.3 GHz Co line observations. The receiver uses a Superconductor-Insulator-Superconductor (SIS) quasiparticle tunnel junction mixer to convert the millimeter wave signal to a microwave intermediate frequency. Experiments aimed at quantitative verification of J. R. Tucker's quantum mixer theory are studied, to see whether it could be used as the basis for the design of a practical receiver. The experimental results were in excellent agreement with the theory, assuming the three frequency approximation. Infinite available gain and negative output resistance were observed for the first time, nonclassical effects which are not seen in conventional diode mixers. Using Tucker's theory, an SIS receiver was then designed and constructed. At 115 GHz, the single sideband receiver noise temperature is 83K, the lowest ever reported in this frequency range. A CO survey toward Cygnus-X region, using this SIS receiver on the Columbia-GISS 4 ft. telescope, is also described.

Pan, S. K.↗

NASA NTRS1973

On the improper neglect of certain terms in random function theory

This paper presents some exact solutions of problems in random function theory for the purpose of testing the validity of an approximate method known variously in the many different fields of its application as first order smoothing theory, first order cumulant discard, quasilinear theory, or the adiabatic approximation. The hydromagnetic dynamo equations are used here, as particularly appropriate for such an investigation. The calculations show that in one case the exact and approximate solutions agree. In the other case the approximate solution is wrong. Hence, in the absence of a general criterion for validity, a result based on first order smoothing theory is a conjecture rather than a fact. This impacts strongly on much of the recent work on hydromagnetic dynamos.

Lerche, I.↗

NASA NTRS1992

Generation and Exploitation of Aggregation Abstractions for Scheduling and Resource Allocation

Our research is investigating abstraction of computational theories for scheduling and resource allocation. These theories are represented in a variant of first order predicate calculus, parameterized multisorted logic, that facilitates specification of large problems. A particular problem is conceptually stated as a set of ground sentences that are consistent with a quantified theory. We are mainly investigating the automated generation of aggregation abstractions and approximations in which detailed resource allocation constraints are replaced by constraints between aggregate demand and capacity. We are also investigating the interaction of aggregation abstractions with the more thoroughly investigated abstractions of weakening operator preconditions. The purpose of the theories for aggregated demand/capacity is threefold: first, to answer queries about aggregate properties, such as gross feasibility; second, to reduce computational costs by using the solution of aggregate problems to guide the solution of detailed problems; and third, to facilitate reformulating theories to approximate problems for which there are efficient problem solving methods. We also describe novel methods for exploiting aggregation abstractions.

Linden, Theodore A.↗

NASA NTRS1984

Magnetohydrodynamic and gasdynamic theories for planetary bow waves

The observed properties of bow waves and the associated plasma flows are outlined, along with those features identified that can be described by a continuum magnetohydrodynamic flow theory as opposed to a more detailed multicomponent particle and field plasma theory. The primary objectives are to provide an account of the fundamental concepts and current status of the magnetohydrodynamic and gas dynamic theories for solar wind flow past planetary bodies. This includes a critical examination of: (1) the fundamental assumptions of the theories; (2) the various simplifying approximations introduced to obtain tractable mathematical problems; (3) the limitations they impose on the results; and (4) the relationship between the results of the simpler gas dynamic-frozen field theory and the more accurate but less completely worked out magnetohydrodynamic theory. Representative results of the various theories are presented and compared. A number of deficiencies, ambiguities, and suggestions for improvements are discussed, and several significant extensions of the theory required to provide comparable results for all planets, their satellites, and comets are noted.

Spreiter, J. R.↗

NASA NTRS1983

Magnetohydrodynamic and gasdynamic theories for planetary bow waves

A bow wave was previously observed in the solar wind upstream of each of the first six planets. The observed properties of these bow waves and the associated plasma flows are outlined, and those features identified that can be described by a continuum magnetohydrodynamic flow theory. An account of the fundamental concepts and current status of the magnetohydrodynamic and gas dynamic theories for solar wind flow past planetary bodies is provided. This includes a critical examination of: (1) the fundamental assumptions of the theories; (2) the various simplifying approximations introduced to obtain tractable mathematical problems; (3) the limitations they impose on the results; and (4) the relationship between the results of the simpler gas dynamic-frozen field theory and the more accurate but less completely worked out magnetohydrodynamic theory. Representative results of the various theories are presented and compared.

Spreiter, J. R.↗

NASA NTRS1985

Magnetohydrodynamic and gasdynamic theories for planetary bow waves

Spreiter, John R.↗

DOE OSTI2024

Fuzzy gauge theory for quantum computers

Continuous gauge theories, because of their bosonic degrees of freedom, have an infinite-dimensional local Hilbert space. Encoding these degrees of freedom on qubit-based hardware demands some sort of “qubitization” scheme, where one approximates the behavior of a theory while using only finitely many degrees of freedom. We propose a novel qubitization strategy for gauge theories, called “fuzzy gauge theory,” building on the success of the fuzzy σ -model in earlier work. We provide arguments that the fuzzy gauge theory lies in the same universality class as regular gauge theory, in which case its use would obviate the need of any further limit besides the usual spatial continuum limit. Furthermore, we demonstrate that these models are relatively resource-efficient for quantum simulations. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

NASA NTRS1977

Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. II - Hybrid theory and close-coupling theory: An l sub z prime-conserving close-coupling approximation

Explore the source record for details and available documents.

Choi, B. H.↗

DOE OSTI2024

Efficient simulations of charge density waves in the transition metal Dichalcogenide TiSe 2

Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density functional theory with advanced meta-generalized gradient approximations (meta-GGAs) and linear response time-dependent density functional theory (TDDFT) with state-of-the-art exchange-correlation kernels, we investigate the electronic, vibrational, and optical properties in 1T-TiSe 2 with and without CDW. In both bulk and monolayer TiSe 2 , the electronic bands and phonon dispersions in either normal or CDW (semiconducting) phase are described well via meta-GGAs, which separate the valence and conduction bands just as HSE06 does but with significantly more computational feasibility. The experimentally observed humps of electron energy loss spectroscopy are successfully reproduced in TDDFT. Our work opens the door to simulating these complexities in CDW compounds from first principles by revealing meta-GGAs as an accurate low-cost alternative to HSE06.

Electronic properties and materials↗

NASA NTRS1985

Statistical theory of cubic Langmuir turbulence

The cubic direct-interaction approximation is applied to the truncated cubically nonlinear Schroedinger equation. The statistical theory does a satisfactory job in several important respects.

Sun, G.-Z.↗

NASA NTRS1945

Numerical Evaluation by Harmonic Analysis of the (Epsilon)-Function of the Theodorsen Arbitrary-Airfoil Potential Theory

Finite trigonometric series is fitted by harmonic analysis as an approximation function to the psi function of the Theodorsen arbitrary-airfoil potential theory. By harmonic synthesis, the corresponding conjugate trigonometric series is used as an approximation to the epsilon function. A set of coefficients of particularly simple form is obtained algebraically for direct calculation of the epsilon values from the corresponding set of psi values. Complete derivation of this process is presented.

Naiman, Irven↗

NASA NTRS1973

An analysis of the unified and scalar additivity theories of spectral line broadening

The qualities of the unified and scalar theories proposed by various authors for describing the static and dynamic characteristics of a radiation perturber interaction are discussed. The regions of validity of these theories and the properties of the approximations applied by them are considered. New derivation procedures are proposed for the unified and scalar additivity theories of line broadening. These procedures do not require the use of an elaborate projection operator, of Green's function techniques in contrast to previous methods.

Smith, E. W.↗

DOE OSTI2024

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance

Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and substrates. Methods based on many-body perturbation theory, such as the random phase approximation (RPA), have previously been limited due to their computational complexity. However, this is now a surmountable barrier due to the advances in computational power available, in particular through modern GPU-based supercomputers. In this work, we describe the implementation of RPA calculations within BerkeleyGW and show its favorable computational performance on large complex systems relevant for catalysis and electrochemistry applications. Our implementation builds off of the static subspace approximation which, by employing a compressed representation of the frequency dependent polarizability, enables the evaluation of the RPA correlation energy with significant acceleration and systematically controllable accuracy. We find that the computational cost of calculating the RPA correlation energy scales only linearly with system size for systems containing up to 50 thousand bands, and is expected to scale quadratically thereafter. We also show excellent strong scaling results across several supercomputers, demonstrating the performance and portability of this implementation.

algorithmic development↗

NASA NTRS1993

Testing higher-order Lagrangian perturbation theory against numerical simulation. 1: Pancake models

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasi-linear scales. The Lagrangian theory of gravitational instability of an Einstein-de Sitter dust cosmogony investigated and solved up to the third order is compared with numerical simulations. In this paper we study the dynamics of pancake models as a first step. In previous work the accuracy of several analytical approximations for the modeling of large-scale structure in the mildly non-linear regime was analyzed in the same way, allowing for direct comparison of the accuracy of various approximations. In particular, the Zel'dovich approximation (hereafter ZA) as a subclass of the first-order Lagrangian perturbation solutions was found to provide an excellent approximation to the density field in the mildly non-linear regime (i.e. up to a linear r.m.s. density contrast of sigma is approximately 2). The performance of ZA in hierarchical clustering models can be greatly improved by truncating the initial power spectrum (smoothing the initial data). We here explore whether this approximation can be further improved with higher-order corrections in the displacement mapping from homogeneity. We study a single pancake model (truncated power-spectrum with power-spectrum with power-index n = -1) using cross-correlation statistics employed in previous work. We found that for all statistical methods used the higher-order corrections improve the results obtained for the first-order solution up to the stage when sigma (linear theory) is approximately 1. While this improvement can be seen for all spatial scales, later stages retain this feature only above a certain scale which is increasing with time. However, third-order is not much improvement over second-order at any stage. The total breakdown of the perturbation approach is observed at the stage, where sigma (linear theory) is approximately 2, which corresponds to the onset of hierarchical clustering. This success is found at a considerable higher non-linearity than is usual for perturbation theory. Whether a truncation of the initial power-spectrum in hierarchical models retains this improvement will be analyzed in a forthcoming work.

Buchert, T.↗

NASA NTRS2001

A {1,2}-Order Plate Theory Accounting for Three-Dimensional Thermoelastic Deformations in Thick Composite and Sandwich Laminates

A {1,2}-order theory for laminated composite and sandwich plates is extended to include thermoelastic effects. The theory incorporates all three-dimensional strains and stresses. Mixed-field assumptions are introduced which include linear in-plane displacements, parabolic transverse displacement and shear strains, and a cubic distribution of the transverse normal stress. Least squares strain compatibility conditions and exact traction boundary conditions are enforced to yield higher polynomial degree distributions for the transverse shear strains and transverse normal stress through the plate thickness. The principle of virtual work is used to derive a 10th-order system of equilibrium equations and associated Poisson boundary conditions. The predictive capability of the theory is demonstrated using a closed-form analytic solution for a simply-supported rectangular plate subjected to a linearly varying temperature field across the thickness. Several thin and moderately thick laminated composite and sandwich plates are analyzed. Numerical comparisons are made with corresponding solutions of the first-order shear deformation theory and three-dimensional elasticity theory. These results, which closely approximate the three-dimensional elasticity solutions, demonstrate that through - the - thickness deformations even in relatively thin and, especially in thick. composite and sandwich laminates can be significant under severe thermal gradients. The {1,2}-order kinematic assumptions insure an overall accurate theory that is in general superior and, in some cases, equivalent to the first-order theory.

Tessler, A.↗