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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

General theory of spherically symmetric boundary-value problems of the linear transport theory.

A general theory of spherically symmetric boundary-value problems of the one-speed neutron transport theory is presented. The formulation is also applicable to the 'gray' problems of radiative transfer. The Green's function for the purely absorbing medium is utilized in obtaining the normal mode expansion of the angular densities for both interior and exterior problems. As the integral equations for unknown coefficients are regular, a general class of reduction operators is introduced to reduce such regular integral equations to singular ones with a Cauchy-type kernel. Such operators then permit one to solve the singular integral equations by the standard techniques due to Muskhelishvili. We discuss several spherically symmetric problems. However, the treatment is kept sufficiently general to deal with problems lacking azimuthal symmetry. In particular the procedure seems to work for regions whose boundary coincides with one of the coordinate surfaces for which the Helmholtz equation is separable.

Kanal, M.↗
NASA NTRS1978

A theory of local and global processes which affect solar wind electrons. 1: The origin of typical 1 AU velocity distribution functions: Steady state theory

A detailed first principle kinetic theory for electrons which is neither a classical fluid treatment nor an exospheric calculation is presented. This theory illustrates the global and local properties of the solar wind expansion that shape the observed features of the electron distribution function, such as its bifurcation, its skewness and the differential temperatures of the thermal and suprathermal subpopulations. Coulomb collisions are substantial mediators of the interplanetary electron velocity distribution function and they place a zone for a bifurcation of the electron distribution function deep in the corona. The local cause and effect precept which permeates the physics of denser media is modified for electrons in the solar wind. The local form of transport laws and equations of state which apply to collision dominated plasmas are replaced with global relations that explicitly depend on the relative position of the observer to the boundaries of the system.

Scudder, J. D.↗
NASA NTRS1978

Unified connected theory of few-body reaction mechanisms in N-body scattering theory

A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials. The operators T/sub +-//sup ab/(A) are approximate transition operators that describe the scattering proceeding through an arbitrary reaction mechanism A. These operators are uniquely determined by a connected kernel equation and satisfy an optical theorem consistent with the choice of reaction mechanism. Connected kernel equations relating T/sub +-//sup ab/(A) to the full T/sub +-//sup ab/ allow correction of the approximate solutions for any ignored process to any order. This theory gives a unified treatment of all few-body reaction mechanisms with the same dynamic simplicity of a model calculation, but can include complicated reaction mechanisms involving overlapping configurations where it is difficult to formulate models.

Polyzou, W. N.↗
NASA NTRS1983

Rastall's and related theories are conservative gravitational theories although physically inequivalent to general relativity

The proper framework for testing Rastall's theory and its generalizations is in the case of non-negligible (i.e. discernible) gravitational effects such as gravity gradients. These theories have conserved integral four-momentum and angular momentum. The Nordtvedt effect then provides limits on the parameters which arise as the result of the non-zero divergence of the energy-momentum tensor.

Smalley, L. L.↗
NASA NTRS1989

A simple laminate theory using the orthotropic viscoplasticity theory based on overstress. I - In-plane stress-strain relationships for metal matrix composites

A macromechanics analysis is presented for the in-plane, anisotropic time-dependent behavior of metal matrix laminates. The small deformation, orthotropic viscoplasticity theory based on overstress represents lamina behavior in a modified simple laminate theory. Material functions and constants can be identified in principle from experiments with laminae. Orthotropic invariants can be repositories for tension-compression asymmetry and for linear elasticity in one direction while the other directions behave in a viscoplastic manner. Computer programs are generated and tested for either unidirectional or symmetric laminates under in-plane loading. Correlations with the experimental results on metal matrix composites are presented.

Krempl, Erhard↗
NASA NTRS1992

Quasi-linear theory and transport theory

The theory of energetic particle scattering by magnetostatic fluctuations is reviewed in so far as it fails to produce the rigidity-independent mean-free-paths observed. Basic aspects of interplanetary magnetic field fluctuations are reviewed with emphasis placed on the existence of dissipation range spectra at high wavenumbers. These spectra are then incorporated into existing theories for resonant magnetostatic scattering and are shown to yield infinite mean-free-paths. Nonresonant scattering in the form of magnetic mirroring is examined and offered as a partial solution to the magnetostatic problem. In the process, mean-free-paths are obtained in good agreement with observations in the interplanetary medium at 1 AU and upstream of planetary bow shocks.

Smith, Charles W.↗
NASA NTRS1993

Modeling transonic aerodynamic response using nonlinear systems theory for use with modern control theory

The presentation begins with a brief description of the motivation and approach that has been taken for this research. This will be followed by a description of the Volterra Theory of Nonlinear Systems and the CAP-TSD code which is an aeroelastic, transonic CFD (Computational Fluid Dynamics) code. The application of the Volterra theory to a CFD model and, more specifically, to a CAP-TSD model of a rectangular wing with a NACA 0012 airfoil section will be presented.

Silva, Walter A.↗
NASA NTRS1995

Putting quasilinear theory to the test: A comparison of analytical theory with results from a trajectory code

Parallel and perpendicular diffusion coefficients were computed numerically by following particle orbits in a simulated magnetic field. The simulated field was chosen to have delta B/B(sub o) small, so as to provide a test of quasilinear theory in a regime where the theory should be most accurate. The simulation space is large enough to contain many magnetic field correlation lengths, so that effects of field line random walk can be studied. After presenting results for parallel diffusion, we will focus on two controversial issues relating to perpendicular diffusion: (1) Do quasilinear descriptions of perpendicular diffusion retain any validity for particles whose Larmor radius is smaller than a correlation length? (2) Does field line random walk lead to particle diffusion in the usual sense, or does it produce 'compound' diffusion for which particles spread out proportionally to t(exp 1/4) instead of t(exp 1/2)?

Bieber, J. W.↗
DOE OSTI2025

Transition from weak to strong coupling in thermal gauge theories: Lessons from 𝒩 = 4 SYM theory

We investigate the transition between weak and strong coupling in thermal 𝒩 =4 supersymmetric Yang-Mills theory as a function of ’t Hooft coupling 𝜆 for several quantities of phenomenological interest for which next-to-leading order calculations are available in both regimes. We use Padé approximants to interpolate between the weak and strong coupling expansions and determine the location and width of the transition between the asymptotic regimes.

Gauge Theories↗
DOE OSTI2021

Electroweak Currents from Chiral Effective Field Theory

Since the pioneering work of Weinberg, Chiral Effective Field Theory (EFT) has been widely and successfully utilized in nuclear physics to study many-nucleon interactions and associated electroweak currents. Here, nuclear EFT has now developed into an intense field of research and is applied to study light to medium mass nuclei. In this contribution, we focus on the development of electroweak currents from EFT and present applications to selected nuclear electroweak observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

DeePKS: A Comprehensive Data-Driven Approach toward Chemically Accurate Density Functional Theory

We propose a general machine learning-based framework for building an accurate and widely applicable energy functional within the framework of generalized Kohn–Sham density functional theory. To this end, we develop a way of training self-consistent models that are capable of taking large datasets from different systems and different kinds of labels. Here, we demonstrate that the functional that results from this training procedure gives chemically accurate predictions on energy, force, dipole, and electron density for a large class of molecules. It can be continuously improved when more and more data are available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Gauge invariance and Ward identities in nonlinear response theory

We present a formal analysis of nonlinear response functions in terms of correlation functions in real- and imaginary-time domains. In particular, we show that causal nonlinear response functions, expressed in terms of nested commutators in real time, can be obtained from the analytic continuation of time-ordered response functions, which are more easily amenable to diagrammatic calculation. This generalizes the well-known result of linear response theory. We then use gauge invariance arguments to derive exact relations between second-order response functions in density and current channels. These identities, which are non-perturbative in the strength of inter-particle interactions, allow us to establish exact connections between nonlinear optics calculations done in different electromagnetic gauges.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nonane and Hexanol Adsorption in the Lamellar Phase of a Nonionic Surfactant: Molecular Simulations and Comparison to Ideal Adsorbed Solution Theory

Adsorption of n-nonane/1-hexanol (C9/C6OH) mixtures into the lamellar phase formed by a 50/50 w/w triethylene glycol mono-n-decyl ether (C10E3)/water system was studied using configurational-bias Monte Carlo simulations in the osmotic Gibbs ensemble. The interactions were described by the Shinoda–Devane–Klein coarse-grained force field. Prior simulations probing single-component adsorption indicated that C9 molecules preferentially load near the center of the bilayer increasing the bilayer thickness, whereas C6OH molecules are more likely to be found near the interface of the polar and non-polar moieties swelling the bilayer in the lateral dimension. Here, we extend this work to binary C9/C6OH adsorption to probe whether the difference in the spatial preferences may lead to a synergistic effect and enhanced loadings for the mixture. Comparing loading trends and the thermodynamics of binary adsorption to unary adsorption reveals that C9–C9 interactions lead to the largest enhancement, whereas C9–C6OH and C6OH–C6OH interactions are less favorable for this bilayer system. As a result, ideal adsorbed solution theory yields satisfactory predictions of the binary loading.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Density Functional Theory Investigation of Oxidation Intermediates on Gold and Gold–Silver Surfaces

Gold and gold-silver alloys can be active and selective oxidation catalysts. Previous work has suggested that O 2 dissociation occurs at bimetallic step sites on gold-silver alloys, but the site responsible for the rest of the reaction steps has not been studied. As a first step in gaining insight into this issue, in this work we investigated the adsorption of oxygen and other oxidation intermediates on the (111) and (211) facets of gold-silver alloys using density functional theory. Oxygen and silver coverage effects were analyzed, and different model structures were compared. We also examined the energy barriers for the diffusion of atomic oxygen to gain insight into O migration and spillover. On (111) surfaces, O adsorption is much stronger at low O coverage (less than 0.22 ML), while on (211) surfaces O is strongly bound at both high and low O coverage. O diffusion across the step is faster than diffusion along the step. Ag stabilizes O, both when directly bound to it and when in an adjacent site. Ag also reduces repulsive O-O interactions at low O coverage. Our calculated reaction barriers for O-assisted CH 3 O dehydrogenation suggest that reaction is faster on steps than on terraces. Overall, our findings suggest that spillover of O from Ag-rich steps to Au-rich terraces does not occur, and that oxidation reactions on gold-silver alloys occurs on step sites. More specifically, oxidation likely occurs either on Ag-rich step sites or on Au-rich step sites that are adjacent to Ag-rich step sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗