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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
DOE OSTI2020

Multipole-based cable braid electromagnetic penetration model: magnetic penetration case

The goal of this paper is to present, for the first time, calculations of the magnetic penetration case of a first principles multipole-based cable braid electromagnetic penetration model. As a first test case, a one-dimensional array of perfect electrically conducting wires, for which an analytical solution is known, is investigated: we compare both the self-inductance and the transfer inductance results from our first principles cable braid electromagnetic penetration model to those obtained using the analytical solution. These results are found in good agreement up to a radius to half spacing ratio of about 0.78, demonstrating a robustness needed for many commercial and non-commercial cables. We then analyze a second set of test cases of a square array of wires whose solution is the same as the one-dimensional array result and of a rhomboidal array whose solution can be estimated from Kley's model. As a final test case, we consider two layers of one-dimensional arrays of wires to investigate porpoising effects analytically. We find good agreement with analytical and Kley's results for these geometries, verifying our proposed multipole model. Note that only our multipole model accounts for the full dependence on the actual cable geometry which enables us to model more complicated cable geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1977

Multipole gas thruster design

The development of a low field strength multipole thruster operating on both argon and xenon is described. Experimental results were obtained with a 15-cm diameter multipole thruster and are presented for a wide range of discharge-chamber configurations. Minimum discharge losses were 300-350 eV/ion for argon and 200-250 eV/ion for xenon. Ion beam flatness parameters in the plane of the accelerator grid ranged from 0.85 to 0.93 for both propellants. Thruster performance is correlated for a range of ion chamber sizes and operating conditions as well as propellant type and accelerator system open area. A 30-cm diameter ion source designed and built using the procedure and theory presented here-in is shown capable of low discharge losses and flat ion-beam profiles without optimization. This indicates that by using the low field strength multipole design, as well as general performance correlation information provided herein, it should be possible to rapidly translate initial performance specifications into easily fabricated, high performance prototypes.

Isaacson, G. C.↗
NASA NTRS1978

15 cm mercury multipole thruster

A 15 cm multipole ion thruster was adapted for use with mercury propellant. During the optimization process three separable functions of magnetic fields within the discharge chamber were identified: (1) they define the region where the bulk of ionization takes place, (2) they influence the magnitudes and gradients in plasma properties in this region, and (3) they control impedance between the cathode and main discharge plasmas in hollow cathode thrusters. The mechanisms for these functions are discussed. Data from SERT II and cusped magnetic field thrusters are compared with those measured in the multipole thruster. The performance of this thruster is shown to be similar to that of the other two thrusters. Means of achieving further improvement in the performance of the multipole thruster are suggested.

Longhurst, G. R.↗
NASA NTRS1993

Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides

The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off-center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for N-acetyl, N'-methylamide-blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. The role of the correlation effects in the peptide molecular charge distribution are discussed.

NASA Discipline Exobiology↗
NASA NTRS1991

Ab initio study of the electrostatic multipole nature of torsional potentials in CH3SSCH3, CH3SSH, and HOOH

The origin of torsional potentials in H3CSSCH3, H3CSSH, and HOOH and the anisotropy of the local charge distribution has been analyzed in terms of atomic multipoles calculated from the ab initio LCAO-MO-SCF wave function in the 6-31G* basis set. The results indicate that for longer -S-S-bonds the major contribution to these torsional barriers are electrostatic interactions of the atomic multipoles located on two atoms forming the rotated bond. This finding demonstrates the important role of electrostatic 1-2 interatomic interactions, usually neglected in conformational studies. It also opens the possibility to derive directly from accurate ab initio wave functions a simple nonempirical torsional potential involving atomic multipoles of two bonded atoms defining the torsional angle. For shorter -O-O- bonds, use of more precise models and inclusion of 1-3 interactions seems to be necessary.

NASA Program Exobiology↗
NASA NTRS2003

Global Aspects of Charged Particle Motion in Axially Symmetric Multipole Magnetic Fields

The motion of a single charged particle in the space outside of a compact region of steady currents is investigated. The charged particle is assumed to produce negligible electromagnetic radiation, so that its energy is conserved. The source of the magnetic field is represented as a point multipole. After a general description, attention is focused on magnetic fields with axial symmetry. Lagrangian dynamical theory is utilized to identify constants of the motion as well as the equations of motion themselves. The qualitative method of Stonner is used to examine charged particle motion in axisymmetric multipole fields of all orders. Although the equations of motion generally have no analytical solutions and must be integrated numerically to produce a specific orbit, a topological examination of dynamics is possible, and can be used, d la Stonner, to completely describe the global aspects of the motion of a single charged particle in a space with an axisymmetric multipole magnetic field.

Shebalin, John V.↗
DOE OSTI2017

Application of the inverse fast multipole method as a preconditioner in a 3D Helmholtz boundary element method

Here we investigate an efficient preconditioning of iterative methods (such as GMRES) for solving dense linear systems Ax = b that follow from a boundary element method (BEM) for the 3D Helmholtz equation, focusing on the low-frequency regime. While matrix–vector products in GMRES can be accelerated through the low-frequency fast multipole method (LFFMM), the BEM often remains computationally expensive due to the large number of GMRES iterations. We propose the application of the inverse fast multipole method (IFMM) as a preconditioner to accelerate the convergence of GMRES. The IFMM is in essence an approximate direct solver that uses a multilevel hierarchical decomposition and low-rank approximations. The proposed IFMM-based preconditioning has a tunable parameter ε that balances the cost to construct a preconditioner M, which is an approximation of A -1 , and the cost to perform the iterative process by means of M. Namely, using a small (respectively, large) value of ε takes a long (respectively, short) time to construct M, while the number of iterations can be small (respectively, large). A comprehensive set of numerical examples involving various boundary value problems with complicated geometries and mixed boundary conditions is presented to validate the efficiency of the proposed method. We show that the IFMM preconditioner (with a nearly optimal ε of 10 -2 ) clearly outperforms some common preconditioners for the BEM, achieving 1.2–10.8 times speed-up of the computations, in particular when the scale of the underlying scatterer is about five wavelengths or more. In addition, the IFMM preconditioner is capable of solving complicated problems (in a reasonable amount of time) that BD preconditioner can not.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A Green’s function fast multipole method for computation of micromechanical fields in heterogeneous materials

Computation of micromechanical fields in heterogeneous materials is usually performed using either the finite element method or the Green’s function method based on FFTs. The finite element method allows for accurate discretization and for non-periodic boundary conditions but is computationally expensive. On the other hand, the FFT-based method is computationally efficient but requires discretization on a regular grid of hexahedral voxels. In this paper, a Green’s function method allowing for accurate discretization using tetrahedral elements and for non-periodic boundary conditions is proposed. The convolution is computed using the fast multipole method, which provides good accuracy even for low-order expansion due to the fast decay of interactions between elements. The proposed Green’s function fast multipole method is verified by comparison with analytical and FFT-based solutions. Furthermore, the computational time is analyzed and compared to the FFT-based method for non-periodic convolution. Finally, effective properties of an elastic polycrystalline microstructure containing thin intergranular cracks are computed and analyzed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multipole interaction in spectral line broadening by plasmas

A long-standing ambiguity in spectral line broadening theory related to the electric field divergence in the quadrupole term of the screened Coulomb radiator-plasma interaction is examined. This is accomplished with multipole expansions from a Taylor series as well as a partial wave analysis of the screened Coulomb interaction. Here, it is explicitly shown that the two approaches agree up to the octupole term for an effective radiator size small compared to the plasma screening length. Furthermore, the ambigous corrections are confirmed appearing naturally in both methods. For higher multipoles the agreement is demonstrated numerically with a computer program using exact arithmetic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Real-space quadrature: A convenient, efficient representation for multipole expansions

Multipoles are central to the theory and modeling of polarizable and nonpolarizable molecular electrostatics. This has made a representation in terms of point charges a highly sought after goal, since rotation of multipoles is a bottleneck in molecular dynamics implementations. All known point charge representations are orders of magnitude less efficient than spherical harmonics due to either using too many fixed charge locations or due to nonlinear fitting of fewer charge locations. We present the first complete solution to this problem—completely replacing spherical harmonic basis functions by a dramatically simpler set of weights associated to fixed, discrete points on a sphere. This representation is shown to be space optimal. It reduces the spherical harmonic decomposition of Poisson’s operator to pairwise summations over the point set. As a corollary, we also shows exact quadrature-based formulas for contraction over trace-free supersymmetric 3D tensors. Moreover, multiplication of spherical harmonic basis functions translates to a direct product in this representation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Shadow molecular dynamics for flexible multipole models

Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. Shadow molecular dynamics simulations are driven by approximate “shadow” Born–Oppenheimer potentials for which the exact charges and forces are directly accessible without relying on costly (and approximate) iterative solvers. While previous implementations have been limited to atomic monopole charge distributions, we extend this approach to flexible multipole models. We derive detailed expressions for the shadow energy functions, potentials, and force terms, explicitly incorporating monopole–monopole, dipole–monopole, and dipole–dipole interactions. In our formulation, both atomic monopoles and atomic dipoles are treated as extended dynamical variables alongside the propagation of the nuclear degrees of freedom. We demonstrate that introducing the additional dipole degrees of freedom preserves the stability and accuracy previously seen in monopole-only shadow molecular dynamics simulations. In addition, we present a shadow molecular dynamics scheme where the monopole charges are held fixed while the dipoles remain flexible. Our extended shadow dynamics provide a framework for stable, computationally efficient, and versatile molecular dynamics simulations involving long-range interactions between flexible multipoles. This is of particular current interest in combination with machine-learned interatomic potentials, including long-range electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Spin induced multipole moments for the gravitational wave flux from binary inspirals to third Post-Newtonian order

Using effective field theory techniques we calculate the source multipole moments needed to obtain the spin contributions to the power radiated in gravitational waves from inspiralling compact binaries to third Post-Newtonian order (3PN). The multipoles depend linearly and quadratically on the spins and include both spin(1)spin(2) and spin(1)spin(1) components. The results in this paper provide the last missing ingredient required to determine the phase evolution to 3PN including all spin effects which we will report in a separate paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Spontaneous breaking of multipole symmetries

Multipole symmetries are of interest both as a window on fracton physics and as a crucial ingredient in realizing new universality classes for quantum dynamics. Here we address the question of whether and when multipole symmetries can be spontaneously broken, both in thermal equilibrium and at zero temperature. In this work, we derive generalized Mermin-Wagner arguments for the total or partial breaking of multipolar symmetry groups and generalized Imry-Ma arguments for the robustness of such multipolar symmetry breaking to disorder. We present both general results and explicit examples. Our results should be directly applicable to quantum dynamics with multipolar symmetries and also provide a useful stepping stone to understanding the robustness of fracton phases to thermal fluctuations, quantum fluctuations, and disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

This paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver. We introduce and discuss the following components in order: the Poisson-Boltzmann model, boundary integral equation reformulation, surface mesh generation, the nodepatch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel operations. For each component, we also remark on feasible approaches for further improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. Lastly, the potential of the solver is demonstrated with preliminary numerical results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Rogue Mode Shileding in NSLS-II Multipole Vacuum Chambers

Modes with transverse electric field (TE-modes) in the NSLS-II multipole vacuum chamber can be generated at frequencies above 450MHz due to its geometric dimensions. Since the NSLS-II BPM system monitors signals within 10 MHz band at RF frequency of 500 MHz, frequencies of higher-order modes (HOM) can be generated within the transmission band of the band pass filter. In order to avoid systematic errors in the NSLS-II BPM system, we introduced frequency shift of HOMs by using RF metal shielding located in the antechamber slot. We demonstrated numerical modeling and experimental studies of the spurious TE modes in the NSLS-II vacuum chambers with antechamber slot. Calculated frequencies of TE-modes in considered chambers with and without RF shielding were verified experimentally. Flexible BeCu RF shielding inside each chamber at proper location shifts frequencies of H{sub 10p}-modes above {approx}900MHz, except chambers S6 odd and even. These chambers need special attention because of synchrotron radiation from downstream magnets. S6 odd multipole vacuum chamber needs to be measured and the RF shielding length has to be optimized. RF shielding looks adequate for baseline design. Fifty percent of open space provides adequate pumping speed.

25mm434mhz↗
DOE OSTI2015

Effects of Crab Cavities' Multipole Content in an Electron-Ion Collider

The impact on the beam dynamics of the Medium Energy Electron-Ion Colider (MEIC) due to the multipole content of the 750 MHz crab cavity was studied using thin multipole elements for 6D phase space particle tracking in ELEGANT. Target values of the sextupole component for the cavity’s field expansion were used to perform preliminary studies on the proton beam stability when compared to the case of pure dipole content of the rf kicks. Finally, important effects on the beam sizes due to non-linear components of the crab cavities’ fields were identified, and some criteria for their future study were proposed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

A multipole-expanded effective field theory for vortex ring-sound interactions

The low-energy dynamics of a zero temperature superfluid or of the compressional modes of an ordinary fluid can be described by a simple effective theory for a scalar field — the superfluid ‘phase’. However, when vortex lines are present, to describe all interactions in a local fashion one has to switch to a magnetic-type dual two-form description, which comes with six degrees of freedom (in place of one) and an associated gauge redundancy, and is thus considerably more complicated. Here we show that, in the case of vortex rings and for bulk modes that are much longer than the typical ring size, one can perform a systematic multipole expansion of the effective action and recast it into the simpler scalar field language. In a sense, in the presence of vortex rings the non-single valuedness of the scalar can be hidden inside the rings, and thus out of the reach of the multipole expansion. As an application of our techniques, we compute by standard effective field theory methods the sound emitted by an oscillating vortex ring.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Spinor representations for fields with any spin: Lorentz tensor basis for operators and covariant multipole decomposition

This paper discusses a framework to parametrize and decompose operator matrix elements for particles with higher spin (j > 1/2) using chiral representations of the Lorentz group, i.e. the (j, 0) and (0, j) representations and their parity-invariant direct sum. Unlike traditional approaches that require imposing constraints to eliminate spurious degrees of freedom, these chiral representations contain exactly the 2j + 1 components needed to describe a spin-j particle. The central objects in the construction are the t-tensors, which are generalizations of the Pauli four-vector σ μ for higher spin. For the generalized spinors of these representations, we demonstrate how the algebra of the t-tensors allows to formulate a generalization of the Dirac matrix basis for any spin. For on-shell bilinears, we show that a set consisting exclusively of covariant multipoles of order 0 ≤ m ≤ 2j forms a complete basis. We provide explicit expressions for all bilinears of the generalized Dirac matrix basis, which are valid for any spin value. As a byproduct of our derivations we present an efficient algorithm to compute the t-tensor matrix elements. The formalism presented here paves the way to use a more unified approach to analyze the non-perturbative QCD structure of hadrons and nuclei across different spin values, with clear physical interpretation of the resulting distributions as covariant multipoles.

Angular momentum of light↗