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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

A Multipole Expansion Method for Analyzing Lightning Field Changes

Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q model) or a point dipole (the P model). The Q model has four unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P model has six unknown parameters and describes many intracloud (IC) discharges. In this paper we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a dme-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer-simulated sources and on natural lightning at the NASA Kennedy Space Center and U.S. Air Force Eastern Range.

Koshak, William J.↗
NASA NTRS1998

A Multipole Expansion Method for Analyzing Lightning Field Changes

Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q-model) or a point dipole (the P-model). The Q-model has 4 unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P-model has 6 unknown parameters and describes many intracloud (IC) discharges. In this paper, we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a 3-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer simulated sources and on natural lightning at the NASA Kennedy Space Center and USAF Eastern Range.

Koshak, William J.↗
NASA NTRS1995

Sensitivity analysis in multipole-accelerated panel methods for potential flow

In the design of an airframe, the effect of changing the geometry on resulting computations is necessary for design optimization. The geometry is defined in terms of a series of design variables, including design variables to define the wing planform, tail, canard, pylon, and nacelle. Design optimization in this research is based on how these design variable affect the potential flow. The potential flow is computed as a function of the geometry and location of a series of panels describing the airframe, which are in turn a function of the design variables. Multipole accelerated panel methods improve the computational complexity of the problem and thus are an attractive approach. To utilize the methods in design optimization, it was necessary to define the appropriate sensitivity derivatives. The overhead incurred from finding the sensitivity derivatives in conjunction with the original computation should be small. This research developed the background for multipole-accelerated panel methods and the framework for finding sensitivity derivatives in the methods. Potential flow panel codes are commonly used for powered-lift aerodynamic predictions for three dimensional geometries. Given an airframe which has been discretized into a series of panels to define the airframe geometry, potential is computed as a function of the influence of all panels on all other panels. This is a computationally intensive problem for which efficient solutions are desired to improve the computational time and to allow greater resolution by use of more panels. One such solution is the use of hierarchical multipole methods which entail approximations of the effects of far-field terms. Hierarchical multipole methods have become prevalent in molecular dynamics and gravitational physics, and have been introduced into the fields of capacitance calculations, computational fluid dynamics, and electromagnetics. The methods utilize multipole expansions to describe the effect of bodies (i.e. particles, astrophysical bodies, panels, etc.) within a sphere on points distant from the sphere, where the influence diminishes as a function of distance. The expansions are exact with infinite series, however, for practical computations, the series are truncated and accuracy is selected based on the number of terms retained in the expansions. A hierarchical tree structure groups bodies together based on proximity to allow definition of multipole expansions for each group. The multipole expansions are then used to compute the effect of the bodies in a group on distant bodies.

Leathrum, James F., Jr.↗
NASA NTRS1994

Accelerated panel methods using the fast multipole method

Panel methods are commonly used in computational fluid dynamics for the solution of potential flow problems. The methods are a numerical technique based on the surface distribution of singularity elements. The solution is the process of finding the strength of the singularity elements distributed over the body's surface. This process involves the solution of the matrix problem Pq = p' for a set of unknowns q. The Fast Multipole Method is used to directly compute q without using matrix solvers. The algorithm works in O(N) time for N points, a great improvement over standard matrix solvers. In panel methods, the surface of a body is divided into a series of quadrilateral panels. The methods involve the computation of the influence of all other panels on each individual panel. The influence is based on the surface distribution, though this can be approximated by the area for distant panels. An alternative approximation, though with arbitrary accuracy, is to develop a multipole expansion about the center of the panel to describe the effect of a given panel on distant points in space. The expansion is based on the moments of the panel, thus allow the use of various surface distributions without changing the basic algorithm, just the computation of the various moments. The expansions are then manipulated in a tree walk to develop Taylor series expansions about a point in space which describe the effect of all distant panels on any point within a volume of convergence. The effect of near panels then needs to be computed directly, but the effect of all distant panels can be computed by simply evaluating the resulting expansion. The Fast Multipole Method has been applied to panel methods for the solution of source and doublet distributions. A major feature of the algorithm is that the algorithm does not change to derive the potential and velocity for sources and doublets. The same expansions can be used for both sources and doublets. Since the velocity is related to the potential, and the doublet potential is related to the z-component of the source velocity, all values can be derived from the same expansion by taking a series of partial derivatives. This requires more expansion terms to be kept since terms are lost in the process of taking partial derivatives. Thus to maintain accuracy for the doublet computation, more terms are required than if just evaluating for sources. The resulting Fast Multipole code should then parallelize better than classical panel methods due to the locality of data dependencies found in the Fast Multipole Method. Theoretically the parallelized code should execute in O(log N) time with O(N) processors, though this is not practical. Ongoing work includes implementing the parallel accelerated panel method, including methods to improve the load balancing of the problem by taking advantage of the known geometry of panels, and to encorporate sensitivity analysis into the algorithm.

Leathrum, James F., Jr.↗
DOE OSTI2024

Hard-scattering approach to strongly hindered electric dipole transitions between heavy quarkonia

The conventional wisdom in dealing with electromagnetic transition between heavy quarkonia is the multipole expansion, when the emitted photon has a typical energy of order quarkonium binding energy. Nevertheless, in the case when the energy carried by the photon is of order typical heavy quark momentum, the multipole expansion doctrine is expected to break down. In this work, we apply the “hard-scattering” approach originally developed to tackle the strongly hindered magnetic dipole ( M 1 ) transition [Y. Jia , ] to the strongly hindered electric dipole ( E 1 ) transition between heavy quarkonia. We derive the factorization formula for the strongly hindered E 1 transition rates at the lowest order in velocity and α s in the context of the nonrelativistic QCD, and conduct a detailed numerical comparison with the standard predictions for various bottomonia and charmonia E 1 transition processes. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1980

Errors incurred in a plane-wave-type expansion of a Gaussian beam

The multipole expansion obtained by Morita et al. (1968) of the Gaussian laser beam used to levitate an aerosol particle in order that its complete phase matrix may be measured is compared with that of Tsai and Pogorzelski (1975) in order to demonstrate the effect of the incorrect expansion used by Morita. Errors incurred by the use of an equation in which one side satisfies the scalar wave equation while the other side does not and can be reduced to a plane wave amplitude are calculated as functions of the inverse of the wave number times the beam waist, the wave number times the radial spherical coordinate and the angular spherical coordinate. Errors on the order of a few percent, considered undetectable are obtained in the squared-field amplitudes due to the expansion, however, they are found to become significant (several tens of percent) when the angle is zero. It is concluded that the expansion of Morita should only be used in the regions where the spherical angle is less than 0.01 and its product with the wave number and the radial spherical coordinate is less than unity.

Kattawar, G. W.↗
NASA NTRS1992

Magnetic field models from energetic particle data at Neptune

The locations of features in the Voyager 2 energetic particle data from Neptune are combined with uncertainties in the multipole expansion of the planetary magnetic field to derive new magnetic field models that are consistent both with various interpretations of the particle features and with the magnetic field data. While assumptions as to the origin of the features must be made, they do not provide sufficient constraints to obtain significant new information on any of the unknown multipole coefficients. However, the magnetic L shell positions of the particle features, which are interpreted primarily as absorption signatures of Neptune's satellites, can, in general, be brought into agreement with expected values.

Selesnick, R. S.↗
DOE OSTI2026

pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis

We introduce pyEF, a software package for computing molecular electric fields, electrostatic interaction energies, and electrostatic potentials from quantum mechanical (QM) atom-centered multipole expansions with atom-wise decomposable contributions. We demonstrate the computational efficiency and accuracy of this QM-derived electric field evaluation tool through several tests. To assess the influence of the underlying QM method and charge partitioning scheme on these electrostatic quantities, we analyze over 250 configurations of an acetone solute molecule in five solvents of variable polarity. We find that electric field calculations are highly sensitive to the choice of charge partitioning method. Even among real-space charge schemes, acetone Stark tuning rates differ by up to a factor of 2. Benchmarking computed solvent dipole moments against experimental bulk values, we conclude that the CM5, ADCH, and Hirshfeld-I charge schemes most reliably capture solvent electrostatics and therefore provide a more faithful foundation for computing electric fields. When constructed from these real-space charges, electric fields are nearly insensitive to basis set size and monotonically increase in magnitude with higher Fock exchange. We also demonstrate efficient convergence of QM electrostatics when more distant molecules are represented solely by MM point charges, reducing computational overhead. Leveraging these findings, we demonstrate the use of pyEF to deduce environmental effects on a transition metal complex from a Ga 4 L 6 12– nanocage and quantify the dominant role of organic linkers in orchestrating electrostatic preorganization.

electric fields↗
DOE OSTI2025

Complete definition of 𝑁 →Δ transition generalized parton distributions

We revisit the definition of the leading-twist chiral-even generalized parton distributions (GPDs) for 𝑁 →Δ baryon transitions. We identify and address deficiencies in previous definitions of the transition GPDs inspired by the transition form factors of the vector and axial vector currents. Through systematic analysis of all possible covariant structures, respecting discrete symmetries and the baryon spinor equations of motion, we derive complete sets of independent structures for the transition matrix elements of the vector and axial vector partonic operators. They contain additional structures proportional to the light-cone vector, corresponding to transition GPDs of vanishing first moment, which were not included in previous parametrizations. Their presence is confirmed independently by the light-front multipole expansion and the cross-channel SO(3) partial-wave analysis of the transition matrix elements. Our analysis provides a complete definition of the 𝑁 →Δ transition GPDs for use in theoretical and phenomenological studies.

baryons↗
DOE OSTI2025

Chiral-odd generalized parton distributions in the large-𝑁 𝑐 limit of QCD: Spin-flavor structure, polynomiality, and sum rules

We study the nonperturbative properties of the nucleon’s chiral-odd generalized parton distributions (transversity GPDs) in the large-𝑁 𝑐 limit of QCD. This includes the parametric ordering of the spin-flavor components, the polynomiality property of the moments, and the sum rules connecting the GPDs with the tensor form factors. A multipole expansion in the transverse momentum transfer is used to enumerate and interpret the structures in the nucleon matrix element of the chiral-odd partonic operator, including monopole, dipole and quadrupole terms. The 1/𝑁 𝑐 expansion of the GPDs is performed using the abstract mean-field picture of baryons in the large-𝑁 𝑐 limit and its symmetries. We derive a large-𝑁 𝑐 relation between the flavor-nonsinglet GPDs 𝐸$^{𝑢−𝑑}_𝑇$ and $\tilde{𝐻}^{𝑢−𝑑}_𝑇$ and test it with recent lattice QCD results. We show that the polynomiality property and sum rules of the GPDs are fulfilled with the restricted realization of translational and rotational invariance in the mean-field picture. The results provide a basis for the phenomenological analysis of chiral-odd GPDs and hard exclusive processes in the large-𝑁 𝑐 limit, and for calculations in specific dynamical models.

generalized parton distributions↗
DOE OSTI2025

Quadrupole forces between quark and gluon subsystems inside higher-spin particles

We generalize the mechanical interpretation of the forces between quark and gluon subsystems, previously studied for the nucleon, to arbitrary higher-spin particles. For spin-0 and spin-1/2 particles, this force is characterized by the nonconserved $\overline{𝑐}$⁡(𝑡) form factor. However, such an interpretation has not yet been established for higher-spin particles due to the intricate structure of the nonconserved energy-momentum tensor (EMT) form factors. By performing a multipole expansion, we identify the physically meaningful combinations of the nonconserved covariant EMT form factors and provide them with a clear mechanical interpretation.

Baryons↗
DOE OSTI2025

Quarkonium Polarization Kinetic Equation from Open Quantum Systems and Effective Field Theories

Recent measurements of polarization phenomena in relativistic heavy ion collisions have aroused a great interest in understanding dynamical spin evolution of the QCD matter. In particular, the spin alignment signature of J/ψ has been recently observed in Pb-Pb collisions at LHC, which may infer nontrivial spin transport of quarkonia in quark gluon plasmas. Motivated by this, we study the spin-dependent in-medium dynamics of quarkonia by using the potential nonrelativistic QCD (pNRQCD) and the open quantum system framework. By applying the Markovian approximation and Wigner transformation, we systematically derive the Boltzmann transport equation for vector quarkonia with polarization dependence in the quantum optical limit. As opposed to the previous study for the spin-independent case where the collision terms depend on chromoelectric correlators, the new kinetic equation incorporates gauge invariant correlators of chromomagnetic fields that determine the recombination and dissociation terms with polarization dependence at the order we are working in the multipole expansion. In the quantum Brownian motion limit, the Lindblad equation with new transport coefficients defined in terms of the chromomagnetic field correlators have also been derived. Our formalism is generic and valid for both weakly-coupled and strongly-coupled quark gluon plasmas. It may be further applied to study spin alignment of vector quarkonia in heavy ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1974

The polarizability of diatomic helium

The calculation of the electric dipole polarizability tensor of the He 2 dimer is described, and the results are used in the computation of several dielectric and optical properties of helium gas, at both high (322 K) and low (4 K) temperatures. The properties considered are the second dielectric virial coefficient, the second Kerr virial coefficient, and the depolarization ratio of the integrated intensities for the Raman scattering experiments. The thesis consists of five parts: the polarizability and various properties are defined; the calculation of the polarizability in the long-range region in terms of a quantum mechanical multipole expansion is described; the calculation of the He2 polarizability in the overlap region via coupled Hartree-Fock perturbation theory is described; the calculation of the quantum pair distribution function for both the He-3 and He-4 isotopes at 4 K is discussed; and the calculated values of the properties of helium gas are given.

Fortune, P. J.↗
NASA NTRS1975

Dispersion forces at arbitrary distances

The formalism of Boehm and Yaris is used to evaluate explicitly the leading term of the London dispersion force between closed-shell atoms. Instead of using the usual multipole expansion, which breaks down at intermediate internuclear distances, an analytic representation of the Born amplitude together with a general angular momentum analysis is used. As a result, expressions are obtained which reduce to the usual dispersion forces at large distances and are finite at all distances.

Jacobi, N.↗
NASA NTRS1976

Application of the adaptive-wall concept to three-dimensional low-speed wind tunnels

Three methods for evaluating the functional relationships required to obtain interference-free flows about a model in a wind tunnel have been developed. The first, the original multipole expansion (MPE) procedure, is based on a series of point singularities which satisfy the governing Prandtl-Glauert equation. The second, the modified MPE, provides an improved representation of finite-span wings and thereby extends the range of validity of the original MPE to larger ratios of span-to-control-surface-width. The third method is more general and is based on source distributions over the control surface. Several numerical examples are presented to help establish the range of validity of these methods. An accuracy-assessment procedure, which combines the original MPE procedure with classical wall-correction theory, has been developed to estimate the degree of interference at the model if the functional relationships are not satisfied exactly. Several numerical examples are presented for representative wings and bodies.

Erickson, J. C., Jr.↗
NASA NTRS1981

On the utility of finite element theory for computational fluid dynamics

An implicit finite element numerical solution algorithm is derived for the compressible Navier-Stokes equations expressed in generalized coordinates. The theoretical basis utilizes a Galerkin-Weighted Residuals formulation, and extremization of approximation error within the context of a multipole expansion. A von Neumann analysis for a simplified form indicates the algorithm fourth- to sixth-order phase accurate, with third-order dissipation for the elementary linear element construction. Performance is improved for the algorithm constructed using quadratic interpolation. Numerical experiments for shocked duct flows are employed to optimize the several algorithm parameters. Additional numerical solutions validate algorithm accuracy and utility for aerodynamics applications.

Baker, A. J.↗
NASA NTRS1986

An atlas of photospheric magnetic field observations and computed coronal magnetic fields: 1976-1985

Daily magnetogram observations of the large-scale photospheric magnetic field have been made at the John M. Wilcox Solar Observatory at Stanford since May of 1976. These measurements provide a homogeneous record of the changing solar field through most of solar cycle 21. Using the photospheric data, the configuration of the coronal and heliospheric fields can be calculated using a Potential Field-Source Surface model. This provides a three-dimensional picture of the heliospheric field evolution during the solar cycle. This paper announces the publication of UAG Report No. 94, an Atlas containing the complete set of synoptic charts of the measured photospheric magnetic field, the computed field at the source surface, and the coefficients of the multipole expansion of the coronal field. The general underlying structures of the solar and heliospheric fields, which determine the environment for solar-terrestrial relations and provide the context within which solar activity related events occur, can be approximated from these data.

Hoeksema, J. T.↗