A polynomial method for determining local emission intensity by Abel inversion
Polynomial method for approximating radiation intensity from plasma light source represented by Abel transforms
Moore, D.↗
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Kernel polynomial method for linear spin wave theory
Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially in systems with large magnetic unit cells, such as those with incommensurate magnetic structures or quenched disorder. In this paper, we demonstrate an efficient scheme based on the kernel polynomial method for calculating dynamical correlations of relevance to inelastic neutron scattering experiments. This method reduces the scaling of numerical cost from cubic to linear in the magnetic unit cell size.
97 MATHEMATICS AND COMPUTING↗
The optimization of convergence for Chebyshev polynomial methods in an unbounded domain
Grosch and Orszag (1977) have performed a numerical analysis of the problem of solving differential equations in a semiinfinite or infinite domain using Chebyshev polynomials. The principal limitation of the conducted study was that it was entirely empirical. Various differential equations were solved in different ways and the numbers were compared. The present investigation has the objective to extend the studies conducted by Grosch and Orszag by deriving asymptotic approximations to the Chebyshev coefficients of simple model functions. This approach makes it possible to conduct more systematic comparisons of different methods, extend the range of comparisons, and, perhaps most important, give simple analytic formulas for choosing the optimum domain size or mapping parameter L for various situations.
Boyd, J. P.↗
Efficient Unitary Designs from Random Sums and Permutations
A unitary k-design is an ensemble of unitaries that matches the first k moments of the Haar measure. In this work, we provide two efficient constructions of k-designs on n-qubits using new random matrix theory techniques. Our first construction is based on exponentiating sums of random i.i.d. Hermitian matrices and uses O(k2n2)-many gates. In the spirit of central limit theorems, we show that this random sum approximates the Gaussian Unitary Ensemble (GUE). We then show that the product of just two exponentiated GUE matrices is already approximately Haar random. Our second construction is based on products of exponentiated sums of random permutations and uses Õ(k poly (n)) many gates. The k dependence is optimal (up to polylogarithmic factors) and is inherited from the efficiency of existing k-wise independent permutations. Furthermore, replacing random permutations with quantum-secure pseudorandom permutations (PRPs), we also obtain a pseudorandom unitary (PRU) ensemble that is secure under nonadaptive queries. A central feature of both proofs is a new connection between the polynomial method in quantum query complexity and the large-dimension (N) expansion in random matrix theory. In particular, the first construction uses the polynomial method to control high moments of certain random matrix ensembles without requiring delicate Weingarten calculations. In doing so, we define and solve a moment problem on the unit circle, asking whether a finite number of equally weighted points can reproduce a given set of moments. In our second construction, the key step is to exhibit an orthonormal basis for irreducible representations of the partition algebra that has a low-degree large-N expansion. This allows us to show that the distinguishing probability is a low-degree rational polynomial of the dimension N.
algebra↗
On conjugate gradient type methods and polynomial preconditioners for a class of complex non-Hermitian matrices
Conjugate gradient type methods are considered for the solution of large linear systems Ax = b with complex coefficient matrices of the type A = T + i(sigma)I where T is Hermitian and sigma, a real scalar. Three different conjugate gradient type approaches with iterates defined by a minimal residual property, a Galerkin type condition, and an Euclidian error minimization, respectively, are investigated. In particular, numerically stable implementations based on the ideas behind Paige and Saunder's SYMMLQ and MINRES for real symmetric matrices are proposed. Error bounds for all three methods are derived. It is shown how the special shift structure of A can be preserved by using polynomial preconditioning. Results on the optimal choice of the polynomial preconditioner are given. Also, some numerical experiments for matrices arising from finite difference approximations to the complex Helmholtz equation are reported.
Freund, Roland↗
Polynomial interpolation methods for viscous flow calculations
Higher-order collocation procedures which result in block-tridiagonal matrix systems are derived from (1) Taylor series expansions and from (2) polynomial interpolation, and the relationships between the two formulations, called respectively Hermite and spline collocation, are investigated. A Hermite block-tridiagonal system for a nonuniform mesh is derived, and the Hermite approach is extended in order to develop a variable-mesh sixth-order block-tridiagonal procedure. It is shown that all results obtained by Hermite development can be recovered by appropriate spline polynomial interpolation. The additional boundary conditions required for these higher-order procedures are also given. Comparative solutions using second-order accurate finite difference and spline and Hermite formulations are presented for the boundary layer on a flat plate, boundary layers with uniform and variable mass transfer, and the viscous incompressible Navier-Stokes equations describing flow in a driven cavity.
Rubin, S. G.↗
Computing the QRPA level density with the finite amplitude method
Here, we describe a new algorithm to calculate the vibrational nuclear level density of an atomic nucleus. Fictitious perturbation operators that probe the response of the system are generated by drawing their matrix elements from some probability distribution function. We use the Finite Amplitude Method to explicitly compute the response for each such sample. With the help of the Kernel Polynomial Method, we build an estimator of the vibrational level density and provide the upper bound of the relative error in the limit of infinitely many random samples. The new algorithm can give accurate estimates of the vibrational level density. Since it is based on drawing multiple samples of perturbation operators, its computational implementation is naturally parallel and scales like the number of available processing units.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Solutions of some problems in applied mathematics using MACSYMA
Various Symbolic Manipulation Programs (SMP) were tested to check the functioning of their commands and suitability under various operating systems. Support systems for SMP were found to be relatively better than the one for MACSYMA. The graphics facilities for MACSYMA do not work as expected under the UNIX operating system. Not all commands for MACSYMA function as described in the manuals. Shape representation is a central issue in computer graphics and computer-aided design. Aside from appearance, there are other application dependent, desirable properties like continuity to certain order, symmetry, axis-independence, and variation-diminishing properties. Several shape representations are studied, which include the Osculatory Method, a Piecewise Cubic Polynomial Method using two different slope estimates, Piecewise Cubic Hermite Form, a method by Harry McLaughlin, and a Piecewise Bezier Method. They are applied to collected physical and chemical data. Relative merits and demerits of these methods are examined. Kinematics of a single link, non-dissipative robot arm is studied using MACSYMA. Lagranian is set-up and Lagrange's equations are derived. From there, Hamiltonian equations of motion are obtained. Equations suggest that bifurcation of solutions can occur, depending upon the value of a single parameter. Using the characteristic function W, the Hamilton-Jacobi equation is derived. It is shown that the H-J equation can be solved in closed form. Analytical solutions to the H-J equation are obtained.
Punjabi, Alkesh↗
Dynamic testing of a two-dimensional box truss beam
Testing to determine the effects of joint freeplay and pretensioning of diagonal members on the dynamic characteristics of a two-dimensional box truss beam was conducted. The test article was ten bays of planar truss suspended by long wires at each joint. Each bay measured 2 meters per side. Pins of varying size were used to simulate various joint freeplay conditions. Single-point random excitation was the primary method of test. The rational fraction polynomial method was used to extract modal characteristics from test data. A finite element model of the test article was generated from which modal characteristics were predicted. These were compared with those obtained from tests. With the exception of the fundamental mode, correlation of theoretical and experimental results was poor, caused by the resonant coupling of local truss member bending modes with global truss beam modes. This coupling introduced many modes in the frequency range of interest whose frequencies were sensitive to joint boundary conditions. It was concluded that local/global coupling must be avoided in the frequency range where accurate modal characteristics are required.
White, Charles W.↗
Meshless Local Petrov-Galerkin (MLPG) Method with Orthogonal Polynomials for Euler-Bernoulli Beam Problems
In this paper, the feasibility of orthogonal polynomials in the meshless local Petrov Galerkin method (MLPG) method is studied. The orthogonal polynomials, Chebyshev and Legendre polynomials, are used in this MLPG method as trial functions. The test functions used were power functions with smooth derivatives at their ends. The performance of these methods is studied by applying these methods to Euler-Bernoulli beam problems. The MLPG-Galerkin and Legendre methods passed all the patch tests for simple beam problems. Next the formulations are tested on complex beam problems such as beams with partial loadings and continuous beam problems. Problems with load discontinuities and additional supports require special attention. Near discontinuities, judicious choice of number of nodes and nodal placements are needed to obtain accurate deflections, slopes, moments and shear forces. As polynomial functions are used, the large number of nodes can create a transformation matrix that is ill-conditioned, resulting in problems with the inversion of the matrix. The conditioning worsens as the number of nodes are increased beyond 20. Quadruple precision was needed for models to obtain accurate solutions. Even with quadruple precision the accuracy of the method suffers as the number of nodes is increased beyond 20. This appears to be a drawback of the MLPG-Chebyshev and MLPG-Legendre methods.
Raju, Ivatury S.↗
Trajectory Optimization Using Adjoint Method and Chebyshev Polynomial Approximation for Minimizing Fuel Consumption During Climb
This paper describes two methods of trajectory optimization to obtain an optimal trajectory of minimum-fuel- to-climb for an aircraft. The first method is based on the adjoint method, and the second method is based on a direct trajectory optimization method using a Chebyshev polynomial approximation and cubic spine approximation. The approximate optimal trajectory will be compared with the adjoint-based optimal trajectory which is considered as the true optimal solution of the trajectory optimization problem. The adjoint-based optimization problem leads to a singular optimal control solution which results in a bang-singular-bang optimal control.
Chebyshev Polynomial↗
Characterization of the Crab Pulsar's Timing Noise
We present a power spectral analysis of the Crab pulsar's timing noise, mainly using radio measurements from Jodrell Bank taken over the period 1982-1989, an interval bounded by sparse data sampling and a large glitch. The power spectral analysis is complicated by nonuniform data sampling and the presence of a steep red power spectrum that can distort power spectra measurement by causing severe power 'leakage'. We develop a simple windowing method for computing red noise power spectra of uniformly sampled data sets and test it on Monte Carlo generated sample realizations of red power-law noise. We generalize time-domain methods of generating power-law red noise with even integer spectral indices to the case of noninteger spectral indices. The Jodrell Bank pulse phase residuals are dense and smooth enough that an interpolation onto a uniform time series is possible. A windowed power spectrum is computed revealing a periodic or nearly periodic component with a period of 568 +/- 10 days and a l/f(exp 3) power-law noise component in pulse phase with a noise strength S(sub infinity)=(1.24 +/- 0.067) x 10(exp 16) cycles(exp 2)/sec(exp 2) over the analysis frequency range f=0.003- 0.1 cycles/day. This result deviates from past analyses which characterized the pulse phase timing residuals as either l/f(sub 4) power-law noise or a quasiperiodic process. The analysis was checked using the Deeter polynomial method of power spectrum estimation that was developed for the case of nonuniform sampling, but has lower spectral resolution. The timing noise is consistent with a torque noise spectrum rising with analysis frequency as f implying blue torque noise, a result not predicted by current models of pulsar timing noise. If the periodic or nearly periodic component is due to a binary companion, we find a mass function f(M) = (6.8 +/- 2.4) x 10(exp -16) solar mass and a companion mass, M(sub c) is greater than or equal to 3.2 solar mass assuming a Crab pulsar mass of 1.4 solar mass.
Scott, D. M.↗
Mathematical methods for optimal polynomial recovery of high-dimensional systems from noisy data
The goal of our Early Career Research Project (ECRP) is to establish a modern mathematical foundation that will enable next-generation computational methods for polynomial approximation of high-dimensional systems, having a certain set of constraints, from a limited amount of noisy data. Such a foundation is critical to realizing the future potential of the DOE user facilities, and will ultimately empower scientists to address a fundamental question, namely, “how many realizations of a nonlinear manifold are required to recover the entire high-dimensional solution map, with optimal approximation guarantees and minimal computational cost?” The central theme of this effort aims to conquer this challenge by pioneering the development of extraordinarily innovative theoretical analysis and transformational non-intrusive computational methodologies. Such approaches will enable the reconstruction of the entire high-dimensional solution map, with accuracy comparable to the best approximation, while utilizing an optimal number of samples. During this reporting period we have made significant progress on four thrusts.
97 MATHEMATICS AND COMPUTING↗
Absence of quantization in the circular photogalvanic effect in disordered chiral Weyl semimetals
The circularly polarized photogalvanic effect (CPGE) is studied in chiral Weyl semimetals with short-range quenched disorder. Without disorder, the topological properties of chiral Weyl semimetals lead to quantization of the CPGE, which is a second-order optical response. Furthermore, using a combination of diagrammatic perturbation theory in the continuum and exact numerical calculations via the kernel polynomial method on a lattice model, we show that disorder perturbatively destabilizes the quantization of the CPGE.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Vacancy-Induced Tunable Kondo Effect in Twisted Bilayer Graphene
In single sheets of graphene, vacancy-induced states have been shown to host an effective spin-1/2 hole that can be Kondo screened at low temperatures. Here, we show how these vacancy-induced impurity states survive in twisted bilayer graphene (TBG), which thus provides a tunable system to probe the critical destruction of the Kondo effect in pseudogap hosts. Ab initio calculations and atomic-scale modeling are used to determine the nature of the vacancy states in the vicinity of the magic angle in TBG, demonstrating that the vacancy can be treated as a quantum impurity. Utilizing this insight, we construct an Anderson impurity model with a TBG host that we solve using the numerical renormalization group combined with the kernel polynomial method. We determine the phase diagram of the model and show how there is a strict dichotomy between vacancies in the AA/BB versus AB/BA tunneling regions. In AB/BA vacancies, the Kondo temperature at the magic angle develops a broad distribution with a tail to vanishing temperatures due to multifractal wave functions at the magic angle. Finally, we argue that scanning tunneling microscopy in the vicinity of the vacancy can act as a probe of both the critical single-particle states and the underlying many-body ground state in magic-angle TBG.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Alternative methods for the design of jet engine control systems
Various alternatives to linear quadratic design methods for jet engine control systems are discussed. The main alternatives are classified into two broad categories: nonlinear global mathematical programming methods and linear local multivariable frequency domain methods. Specific studies within these categories include model reduction, the eigenvalue locus method, the inverse Nyquist method, polynomial design, dynamic programming, and conjugate gradient approaches.
Sain, M. K.↗
Efficient Implementation of Minimal Polynomial and Reduced Rank Extrapolation Methods
The minimal polynomial extrapolation (MPE) and reduced rank extrapolation (RRE) are two effective techniques that have been used in accelerating the convergence of vector sequences, such as those that are obtained from iterative solution of linear and nonlinear systems of equation. Their definitions involve some linear least squares problems, and this causes difficulties in their numerical implementation. Timewise efficient and numerically stable implementations for MPE and RRE are developed. A computer program written in FORTRAN 77 is also appended and applied to some model problems.
Sidi, Avram↗
An algorithm and computer program to locate real zeros of real polynomials
A method for reliably extracting real zeros of real polynomials using an expanded two-point secant and bisection method is formed into an algorithm for a digital computer, and a computer program based on this algorithm is presented. The results obtained with the program show that the proposed method compares favorably with the Laguerre, Newton-Raphson, and Jenkins-Traub methods when the polynomial has all real zeros, and is more efficient when the polynomial has complex zeros.
Hedgley, D. R., Jr.↗