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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Random matrices with external source and the asymptotic behaviour of multiple orthogonal polynomials

Ensembles of random Hermitian matrices with a distribution measure defined by an anharmonic potential perturbed by an external source are considered. The limiting characteristics of the eigenvalue distribution of the matrices in these ensembles are related to the asymptotic behaviour of a certain system of multiple orthogonal polynomials. Strong asymptotic formulae are derived for this system. As a consequence, for matrices in this ensemble the limit mean eigenvalue density is found, and a variational principle is proposed to characterize this density. Bibliography: 35 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Inverse scattering problem for quantum graph vertices

We demonstrate how the inverse scattering problem of a quantum star graph can be solved by means of diagonalization of the Hermitian unitary matrix when the vertex coupling is of the scale-invariant (or Fueloep-Tsutsui) form. This enables the construction of quantum graphs with desired properties in a tailor-made fashion. The procedure is illustrated on the example of quantum vertices with equal transmission probabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Nonsupersymmetric strong coupling background from the large N quantum mechanics of two matrices coupled via a Yang-Mills interaction

We derive a planar sector of the large N nonsupersymmetric background of the quantum mechanical Hamiltonian of two Hermitian matrices coupled via a Yang-Mills interaction, in terms of the density of eigenvalues of one of the matrices. This background satisfies an implicit nonlinear integral equation, with a perturbative small coupling expansion and a solvable large coupling solution, which is obtained. The energy of system and the expectation value of several correlators are obtained in this strong coupling limit. They are free of infrared divergences.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Multilevel relaxation model for describing the Moessbauer spectra of nanoparticles in a magnetic field

A theory is developed for the Moessbauer absorption spectra of an ensemble of single-domain particles in a magnetic field. This theory is based on the generalization of a relaxation model with a quantummechanical description of the stationary states of a particle and on the formalism of Liouville operators for describing the hyperfine interaction for a hyperfine field changing in both the magnitude and direction for various stationary states. The general scheme of calculating relaxation Moessbauer spectra in terms of a standard stochastic approach is substantially optimized using operations with block matrices and a unique tridiagonalization of high-rank non-Hermitian matrices with a simple nonorthogonal transformation in the calculation procedure. The resulting model can easily be implemented on a personal computer. It considers the physical mechanisms of formation of a hyperfine structure in a spectrum of nanoparticles in a real situation and self-consistently describes the qualitative features of the nontrivial evolution of spectra with the temperature and the magnetic-field direction and strength, which has been detected in {sup 57}Fe nucleus experiments performed on magnetic nanoparticles for half a century.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Model reduction for discrete bilinear systems

A model reduction method for discrete bilinear systems is developed which matches q sets of Volterra and covariance parameters. These parameters are shown to represent both deterministic and stochastic attributes of the discrete bilinear system. A reduced order model which matches these q sets of parameters is defined to be a q-Volterra covariance equivalent realization (q-Volterra COVER). An algorithm is presented which constructs a class of q-Volterra COVERs parameterized by solutions to a Hermitian, quadratic, matrix equation. The algorithm is applied to a bilinear model of a robot manipulator.

King, A. M.↗
NASA NTRS2010

Broken Ergodicity in MHD Turbulence

Ideal magnetohydrodynamic (MHD) turbulence may be represented by finite Fourier series, where the inherent periodic box serves as a surrogate for a bounded astrophysical plasma. Independent Fourier coefficients form a canonical ensemble described by a Gaussian probability density function containing a Hermitian covariance matrix with positive eigenvalues. The eigenvalues at lowest wave number can be very small, resulting in a large-scale coherent structure: a turbulent dynamo. This is seen in computations and a theoretical explanation in terms of 'broken ergodicity' contains Taylor s theory of force-free states. An important problem for future work is the case of real, i.e., dissipative flows. In real flows, broken ergodicity and coherent structure are still expected to occur in MHD turbulence at the largest scale, as suggested by low resolution simulations. One challenge is to incorporate coherent structure at the largest scale into the theory of turbulent fluctuations at smaller scales.

Shebalin, John V.↗
NASA NTRS1989

A fast, preconditioned conjugate gradient Toeplitz solver

A simple factorization is given of an arbitrary hermitian, positive definite matrix in which the factors are well-conditioned, hermitian, and positive definite. In fact, given knowledge of the extreme eigenvalues of the original matrix A, an optimal improvement can be achieved, making the condition numbers of each of the two factors equal to the square root of the condition number of A. This technique is to applied to the solution of hermitian, positive definite Toeplitz systems. Large linear systems with hermitian, positive definite Toeplitz matrices arise in some signal processing applications. A stable fast algorithm is given for solving these systems that is based on the preconditioned conjugate gradient method. The algorithm exploits Toeplitz structure to reduce the cost of an iteration to O(n log n) by applying the fast Fourier Transform to compute matrix-vector products. Matrix factorization is used as a preconditioner.

Pan, Victor↗
DOE OSTI2011

Laplacians in polar matrix coordinates and radial fermionization in higher dimensions

We consider the quantum mechanical Hamiltonian of two, space indexed, Hermitian matrices. By introducing matrix valued polar coordinates, we obtain the form of the Laplacian acting on invariant states. For potentials depending only on the eigenvalues of the radial matrix, we establish that the radially invariant sector is equivalent to a system of noninteracting 2 + 1 dimensional fermions and obtain its density description. For a larger number of matrices, the presence of a repulsive radial intereigenvalue potential is identified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Wave normal directions of chorus near the equatorial source region

OGO 5 triaxial search coil magnetometer data are used to determine the wave propagation directions of postmidnight chorus in the near-equatorial region at L shells of 6 to 7. The methods used to estimate the wave normal directions involved minimum variance, the imaginary part of the cross-spectral matrix, the eigenvector of the Hermitian cross-spectral matrix, and a fitting of dispersion relations for one-wave and two-wave models to the cross-spectral matrix. Wave propagation at all frequencies within chorus tones is found to occur most frequently along the magnetic field with median and average cone angles of 9.1 deg and 12.2 deg, respectively. It is concluded that for waves propagating parallel to B, wave growth is maximum.

Goldstein, B. E.↗
DOE OSTI2012

PT quantum mechanics - Recent results

Most quantum physicists believe that a quantum-mechanical Hamiltonian must be Dirac Hermitian (invariant under matrix transposition and complex conjugation) to be sure that the energy eigenvalues are real and that time evolution is unitary. However, the non-Dirac-hermitian Hamiltonian H p{sup 2}+ix{sup 3} has a real positive discrete spectrum and generates unitary time evolution and defines a fully consistent and physical quantum theory. Evidently, Dirac Hermiticity is too restrictive. While H = p{sup 2}+ix{sup 3} is not Dirac Hermitian, it is PT symmetric (invariant under combined space reflection P and time reversal T). Another PT-symmetric Hamiltonian whose energy levels are real, positive and discrete is H = p{sup 2}-x{sup 4}, which contains an upside-down potential. The quantum mechanics defined by a PT-symmetric Hamiltonian is a complex generalization of ordinary quantum mechanics. When quantum mechanics and quantum field theory are extended into the complex domain, new kinds of theories having strange and remarkable properties emerge. In the past two years some of these properties have been verified in laboratory experiments. Here, we first discuss PT-symmetric Hamiltonians at a simple intuitive level and explain why the energy levels of such Hamiltonians may be real, positive, and discrete. Second, we describe a recent experiment in which the PT phase transition was observed. Third, we briefly mention that PT-symmetric theories can be useful at a fundamental level. While the double-scaling limit of an O(N)-symmetric g{phi}{sup 4} quantum field theory appears to be inconsistent because the critical value of g is negative, this limit is in fact not inconsistent because the critical theory is PT symmetric.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1973

Free vibration analysis of spinning structural systems.

This article presents an efficient digital computer procedure, along with the complete listing of the associated computer program, which may be conveniently utilized for the accurate solution of a wide range of practical eigenvalue problems. Important applications of the present work are envisaged in the natural frequency analysis of spinning structures discretized by the finite element technique, and in the determination of transfer functions associated with the dynamic blocks of control systems of spacecraft utilizing gas jets or reaction wheels for attitude control, as well as of spin-stabilized and dual-spin-stabilized satellites. The validity of the Sturm sequence property is first established for the related matrix formulation involving Hermitian and real symmetric, positive-definite matrices, both being usually of highly banded configuration. A numerically stable algorithm based on the Sturm sequence method is then developed which fully exploits the banded form of the associated matrices.

Gupta, K. K.↗
NASA NTRS1985

Parallel solution of closely coupled systems

An odd-even permutation and a nested dissection technique were used to circumvent the strong seriality of a system of closely coupled equations. The effect of transforming the n x n Hermitian definite positive matrix coefficient on the topology of Cholesky factors is discussed. A series of directed graphs is constructed in order to show the computational steps required for the odd-even permutation. Numerical expressions for the speed-up and efficiency of parallel N-processing techniques and sequential processing by a single computer are derived. Similar expressions are derived for the case of insufficient processing capacity. The application of the odd-even permutation to the ensemble class of computer architectures is demonstrated.

Utku, S.↗
DOE OSTI2021

Dynamics of disordered mechanical systems with large connectivity, free probability theory, and quasi-Hermitian random matrices

Disordered mechanical systems with high connectivity represent a limit opposite to the more familiar case of disordered crystals. Individual ions in a crystal are subjected essentially to nearest-neighbor interactions. In contrast, the systems studied in this paper have all their degrees of freedom coupled to each other. Thus, the problem of linearized small oscillations of such systems involves two full positive-definite and non-commuting matrices, as opposed to the sparse matrices associated with disordered crystals. Consequently, the familiar methods for determining the averaged vibrational spectra of disordered crystals, introduced many years ago by Dyson and Schmidt, are inapplicable for highly connected disordered systems. In this paper we apply random matrix theory (RMT) to calculate the averaged vibrational spectra of such systems, in the limit of infinitely large system size. At the heart of our analysis lies a calculation of the average spectrum of the product of two positive definite random matrices by means of free probability theory techniques. We also show that this problem is intimately related with quasi-hermitian random matrix theory (QHRMT), which means that the ‘hamiltonian’ matrix is hermitian with respect to a non-trivial metric. This extends ordinary hermitian matrices, for which the metric is simply the unit matrix. The analytical results we obtain for the spectrum agree well with our numerical results. The latter also exhibit oscillations at the high-frequency band edge, which fit well the Airy kernel pattern. We also compute inverse participation ratios of the corresponding amplitude eigenvectors and demonstrate that they are all extended, in contrast with conventional disordered crystals. Finally, we compute the thermodynamic properties of the system from its spectrum of vibrations. In addition to matrix model analysis, we also study the vibrational spectra of various multi-segmented disordered pendula, as concrete realizations of highly connected mechanical systems. A universal feature of the density of vibration modes, common to both pendula and the matrix model, is that it tends to a non-zero constant at vanishing frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Real-space representation of the quasiparticle self-consistent GW self-energy and its application to defect calculations

The quasiparticle self-consistent (QS) GW (G for Green's function, W for screened Coulomb interaction) approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by means of an energy-independent and Hermitian self-energy matrix usually given in the basis set of the DFT eigenstates. By expanding these into an atom-centered basis set (specifically here the linearized muffin-tin orbitals) a real space representation of the self-energy corrections becomes possible. In this work, We show that this representation is relatively short-ranged. This offers opportunities to construct the self-energy of a complex system from parts of the system by a cut-and-paste method. Specifically for a point defect, represented in a large supercell, the self-energy can be constructed from those of the host and a smaller defect-containing cell. The self-energy of the periodic host can be constructed simply from a GW calculation for the primitive cell. We show for the case of the As Ga in GaAs that the defect part can already be well represented by a minimal eight-atom cell and allows us to construct the self-energy for a 64-atom cell in good agreement with direct QSGW calculations for the large cell. Using this approach to an even larger 216-atom cell shows the defect band approaches an isolated defect level. The calculations also allow us to identify a second defect band which appears as a resonance near the conduction band minimum. The results on the extracted defect levels agree well with Green's function calculations for an isolated defect and with experimental data.

36 MATERIALS SCIENCE↗
NASA NTRS1989

A family of permutations for concurrent factorization of block tridiagonal matrices

The inherent strong seriality of closely coupled systems is circumvented by defining a family of permutations for reordering equation sets whose matrix of coefficients is Hermitian block tridiagonal. The authors show how these permutations can be used to achieve relatively high concurrency in the Cholesky factorization of banded systems at the expense of introducing limited extra computations due to fill-in terms in the factors. Directed graphs are developed for the concurrent factorization of the transformed matrix of coefficients by the Cholesky algorithm. Expressions for speedup and efficiency are derived in terms of parameters of the permutation, set of equations, and machine architecture.

Utku, Senol↗
NASA NTRS1995

Solution of the three-dimensional Helmholtz equation with nonlocal boundary conditions

The Helmholtz equation is solved within a three-dimensional rectangular duct with a nonlocal radiation boundary condition at the duct exit plane. This condition accurately models the acoustic admittance at an arbitrarily-located computational boundary plane. A linear system of equations is constructed with second-order central differences for the Helmholtz operator and second-order backward differences for both local admittance conditions and the gradient term in the nonlocal radiation boundary condition. The resulting matrix equation is large, sparse, and non-Hermitian. The size and structure of the matrix makes direct solution techniques impractical; as a result, a nonstationary iterative technique is used for its solution. The theory behind the nonstationary technique is reviewed, and numerical results are presented for radiation from both a point source and a planar acoustic source. The solutions with the nonlocal boundary conditions are invariant to the location of the computational boundary, and the same nonlocal conditions are valid for all solutions. The nonlocal conditions thus provide a means of minimizing the size of three-dimensional computational domains.

Hodge, Steve L.↗
DOE OSTI2013

Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory

We present a real-time time-dependent density functional theory (RT-TDDFT) prescription for capturing near and post-ionization excitations based on non-Hermitian von Neumann density matrix propagation with atom-centered basis sets, tuned range-separated DFT, and a phenomenological imaginary molecular orbital-based absorbing potential to mimic coupling to the continuum. The computed extreme ultraviolet absorption spectra for acetylene (C2H2), water (H2O), and Freon 12 (CF2Cl2) agree well with electron energy loss spectroscopy (EELS) data over the range 0 to 50 eV. The absorbing potential removes spurious high energy finite basis artifacts, yielding correct bound to bound transitions, metastable (autoionizing) resonance states, and consistent overall absorption shapes.

absorption↗