Use of L matrix to obtain reliable ab initio force constants of polyatomic molecules: ethylene as a test system

Direct use of experimental eigenvalues of the vibrational secular equation on to the ab initio predicted eigenvector space is suggested as a means of obtaining a reliable set of intramolecular force constants. This method which we have termed RECOVES (recovery in the eigenvector space) is computationally simple and free from arbitrariness. The RECOVES force constants, by definition, reproduce the experimental vibrational frequencies of the parent molecule exactly. The ab initio calculations were carried out for ethylene as a test molecule and the force constants obtained by the present procedure also correctly predict the vibrational frequencies of the deuterated species. The RECOVES force constants for ethylene are compared with those obtained by using the SQM procedure.

Parallel computing concepts and methods for floquet analysis of helicopter trim and stability

Floquet analysis is widely used for small-order systems (say, order M < 100) to find trim results of control inputs and periodic responses, and stability results of damping levels and frequencies, Presently, however, it is practical neither for design applications nor for comprehensive analysis models that lead to large systems (M > 100); the run time on a sequential computer is simply prohibitive, Accordingly, a massively parallel Floquet analysis is developed with emphasis on large systems, and it is implemented on two SIMD or single-instruction, multiple-data computers with 4096 and 8192 processors, The focus of this development is a parallel shooting method with damped Newton iteration to generate trim results; the Floquet transition matrix (FTM) comes out as a byproduct, The eigenvalues and eigenvectors of the FTM are computed by a parallel QR method, and thereby stability results are generated, For illustration, flap and flap-lag stability of isolated rotors are treated by the parallel analysis and by a corresponding sequential analysis with the conventional shooting and QR methods; linear quasisteady airfoil aerodynamics and a finite-state three-dimensional wake model are used, Computational reliability is quantified by the condition numbers of the Jacobian matrices in Newton iteration, the condition numbers of the eigenvalues and the residual errors of the eigenpairs, and reliability figures are comparable in both the parallel and sequential analyses, Compared to the sequential analysis, the parallel analysis reduces the run time of large systems dramatically, and the reduction increases with increasing system order; this finding offers considerable promise for design and comprehensive-analysis applications.

Stability of stochastic Leipholz column with stochastic loading

The Leipholz column which is having the Young modulus and mass per unit length as stochastic processes and also the distributed tangential follower load behaving stochastically is considered. The non self-adjoint differential equation and boundary conditions are considered to have random field coefficients. The standard perturbation method is employed. The non self-adjoint operators are used within the regularity domain. Full covariance structure of the free vibration eigenvalues and critical loads is derived in terms of second order properties of input random fields characterizing the system parameter fluctuations. The mean value of critical load is calculated using the averaged problem and the corresponding eigenvalue statistics are sought. Through the frequency equation a transformation is done to yield load parameter statistics. A numerical study incorporating commonly observed correlation models is reported which illustrates the full potentials of the derived expressions.

The Gaussian Toeplitz matrix

An analytical expression for the LL(T) decomposition for the Gaussian Toeplitz matrix with elements T(ij) = [1/(2-pi)1/2-sigma] exp[-(i - j)2/2-sigma-2] is derived. An exact expression for the determinant and bounds on the eigenvalues follows. An analytical expression for the inverse T-1 is also derived.

Some Algorithms for Eigensubspace Estimation

An important tool in signal processing is the use of eigenvalue and singular value decompositions for extracting information from time-series/sensor array data. These tools are used in the so-called subspace methods that underlie solutions to the harmonic retrieval problem in time series and the directions-of-arrival (DOA) estimation problem in array processing. The subspace methods require the knowledge of eigenvectors of the underlying covariance matrix to estimate the parameters of interest. Eigenstructure estimation in signal processing has two important classes: (i) estimating the eigenstructure of the given covariance matrix and (ii) updating the eigenstructure estimates given the current estimate and new data. In this paper, we survey some algorithms for both these classes useful for harmonic retrieval and DOA estimation problems. We begin by surveying key results in the literature and then describe, in some detail, energy function minimization approaches that underlie a class of feedback neural networks. Our approaches estimate some or all of the eigenvectors corresponding to the repeated minimum eigenvalue and also multiple orthogonal eigenvectors corresponding to the ordered eigenvalues of the covariance matrix. Our presentation includes some supporting analysis and simulation results. We may point out here that eigensubspace estimation is a vast area and all aspects of this cannot be fully covered in a single paper. (C) 1995 Academic Press, Inc.

Improving the convergence rate of the inverse iteration method

Solution of generalized eigenproblem, K phi = lambda M phi, by the classical inverse iteration method exhibits slow convergence for some eigenproblems. In this paper, a modified inverse iteration algorithm is presented for improving the convergence rate. At every iteration, an optimal linear combination of the latest and the preceding iteration vectors is used as the input vector for the next iteration. The effectiveness of the proposed algorithm is demonstrated for three typical eigenproblems, i.e. eigenproblems with distinct, close and repeated eigenvalues. The algorithm yields 29, 96 and 23% savings in computational time, respectively, for these problems. The algorithm is simple and easy to implement, and this renders the algorithm even more attractive.

Vibration and Stability of Fluid Conveying Pipes with Stochastic Parameters

Flexible cantilever pipes conveying fluids with high velocity are analysed for their dynamic response and stability behaviour. The Young's modulus and mass per unit length of the pipe material have a stochastic distribution. The stochastic fields, that model the fluctuations of Young's modulus and mass density are characterized through their respective means, variances and autocorrelation functions or their equivalent power spectral density functions. The stochastic non self-adjoint partial differential equation is solved for the moments of characteristic values, by treating the point fluctuations to be stochastic perturbations. The second-order statistics of vibration frequencies and mode shapes are obtained. The critical flow velocity is-first evaluated using the averaged eigenvalue equation. Through the eigenvalue equation, the statistics of vibration frequencies are transformed to yield critical flow velocity statistics. Expressions for the bounds of eigenvalues are obtained, which in turn yield the corresponding bounds for critical flow velocities.

Nonlinear analysis of adhesively bonded lap joints considering viscoplasticity in adhesives

This paper presents nonlinear finite element analysis of adhesively bonded joints considering the elastoviscoplastic constitutive model of the adhesive material and the finite rotation of the joint. Though the adherends have been assumed to be linearly elastic, the yielding of the adhesive is represented by a pressure sensitive modified von Mises yield function. The stress-strain relation of the adhesive is represented by the Ramberg-Osgood relation. Geometric nonlinearity due to finite rotation in the joint is accounted for using the Green-Lagrange strain tensor and the second Piola-Kirchhoff stress tensor in a total Lagrangian formulation. Critical time steps have been calculated based on the eigenvalues of the transition matrices of the viscoplastic model of the adhesive. Stability of the viscoplastic solution and time dependent behaviour of the joints are examined. A parametric study has been carried out with particular reference to peel and shear stress along the interface. Critical zones for failure of joints have been identified. The study is of significance in the design of lap joints as well as on the characterization of adhesive strength. (C) 1999 Elsevier Science Ltd. All rights reserved.

A differential geometric method for kinematic analysis of two- and three-degree-of-freedom rigid body motions

In this paper, we present a novel differential geometric characterization of two- and three-degree-of-freedom rigid body kinematics, using a metric defined on dual vectors. The instantaneous angular and linear velocities of a rigid body are expressed as a dual velocity vector, and dual inner product is defined on this dual vector, resulting in a positive semi-definite and symmetric dual matrix. We show that the maximum and minimum magnitude of the dual velocity vector, for a unit speed motion, can be obtained as eigenvalues of this dual matrix. Furthermore, we show that the tip of the dual velocity vector lies on a dual ellipse for a two-degree-of-freedom motion and on a dual ellipsoid for a three-degree-of-freedom motion. In this manner, the velocity distribution of a rigid body can be studied algebraically in terms of the eigenvalues of a dual matrix or geometrically with the dual ellipse and ellipsoid. The second-order properties of the two- and three-degree-of-freedom motions of a rigid body are also obtained from the derivatives of the elements of the dual matrix. This results in a definition of the geodesic motion of a rigid body. The theoretical results are illustrated with the help of a spatial 2R and a parallel three-degree-of-freedom manipulator.

Two-Parameter Uniformly Elliptic Sturm–Liouville Problems With Eigenparameter-Dependent Boundary Conditions

We consider the two-parameter Sturm–Liouville system $$ -y_1''+q_1y_1=(\lambda r_{11}+\mu r_{12})y_1\quad\text{on }[0,1], $$ with the boundary conditions $$ \frac{y_1'(0)}{y_1(0)}=\cot\alpha_1\quad\text{and}\quad\frac{y_1'(1)}{y_1(1)}=\frac{a_1\lambda+b_1}{c_1\lambda+d_1}, $$ and $$ -y_2''+q_2y_2=(\lambda r_{21}+\mu r_{22})y_2\quad\text{on }[0,1], $$ with the boundary conditions $$ \frac{y_2'(0)}{y_2(0)} =\cot\alpha_2\quad\text{and}\quad\frac{y_2'(1)}{y_2(1)}=\frac{a_2\mu+b_2}{c_2\mu+d_2}, $$ subject to the uniform-left-definite and uniform-ellipticity conditions; where $q_{i}$ and $r_{ij}$ are continuous real valued functions on $[0,1]$, the angle $\alpha_{i}$ is in $[0,\pi)$ and $a_{i}$, $b_{i}$, $c_{i}$, $d_{i}$ are real numbers with $\delta_{i}=a_{i}d_{i}-b_{i}c_{i}>0$ and $c_{i}\neq0$ for $i,j=1,2$. Results are given on asymptotics, oscillation of eigenfunctions and location of eigenvalues.

Right-Definite Multiparameter Sturm–Liouville Problems With Eigenparameter-Dependent Boundary Conditions

We study a system of ordinary differential equations linked by parameters and subject to boundary conditions depending on parameters. We assume certain definiteness conditions on the coefficient functions and on the boundary conditions that yield, in the corresponding abstract setting, a right-definite case. We give results on location of the eigenvalues and oscillation of the eigenfunctions.

Uncertainty analysis of vibrational frequencies of an incompressible liquid in a rectangular tank with and without a baffle using polynomial chaos expansion

Polynomial chaos expansion (PCE) with Latin hypercube sampling (LHS) is employed for calculating the vibrational frequencies of an inviscid incompressible fluid partially filled in a rectangular tank with and without a baffle. Vibration frequencies of the coupled system are described through their projections on the PCE which uses orthogonal basis functions. PCE coefficients are evaluated using LHS. Convergence on the coefficient of variation is used to find the orthogonal polynomial basis function order which is employed in PCE. It is observed that the dispersion in the eigenvalues is more in the case of a rectangular tank with a baffle. The accuracy of the PCE method is verified with standard MCS results and is found to be more efficient.

The single ring theorem

We study the empirical measure LA of the eigenvalues of nonnormal square matrices of the form A(n) = U(n)T(n)V(n), with U(n), V(n) independent Haar distributed on the unitary group and T(n) diagonal. We show that when the empirical measure of the eigenyalues of T(n) converges, and T(n) satisfies some technical conditions, L(An) converges towards a rotationally invariant measure mu on the complex plane whose support is a single ring. In particular, we provide a complete proof of the Feinberg-Zee single ring theorem [6]. We also consider the case where U(n), V(n) are independently Haar distributed on the orthogonal group.

The generalized Onsager model for the secondary flow in a high-speed rotating cylinder

The generalizations of the Onsager model for the radial boundary layer and the Carrier-Maslen model for the end-cap axial boundary layer in a high-speed rotating cylinder are formulated for studying the secondary gas flow due to wall heating and due to insertion of mass, momentum and energy into the cylinder. The generalizations have wider applicability than the original Onsager and Carrier-Maslen models, because they are not restricted to the limit A >> 1, though they are restricted to the limit R e >> 1 and a high-aspect-ratio cylinder whose length/diameter ratio is large. Here, the stratification parameter A = root m Omega(2)R(2)/2k(B)T). This parameter A is the ratio of the peripheral speed, Omega R, to the most probable molecular speed, root 2k(B)T/m, the Reynolds number Re = rho w Omega R(2)/mu, where m is the molecular mass, Omega and R are the rotational speed and radius of the cylinder, k(B) is the Boltzmann constant, T is the gas temperature, rho(w) is the gas density at wall, and mu is the gas viscosity. In the case of wall forcing, analytical solutions are obtained for the sixth-order generalized Onsager equations for the master potential, and for the fourth-order generalized Carrier-Maslen equation for the velocity potential. For the case of mass/momentum/energy insertion into the flow, the separation-of-variables procedure is used, and the appropriate homogeneous boundary conditions are specified so that the linear operators in the axial and radial directions are self-adjoint. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order and second-order in the radial and axial directions for the Onsager equation, and fourth-order and second-order in the axial and radial directions for the Carrier-Maslen equation) are determined. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations. The comparison reveals that the boundary conditions in the simulations and analysis have to be matched with care. The commonly used `diffuse reflection' boundary conditions at solid walls in DSMC simulations result in a non-zero slip velocity as well as a `temperature slip' (gas temperature at the wall is different from wall temperature). These have to be incorporated in the analysis in order to make quantitative predictions. In the case of mass/momentum/energy sources within the flow, it is necessary to ensure that the homogeneous boundary conditions are accurately satisfied in the simulations. When these precautions are taken, there is excellent agreement between analysis and simulations, to within 10 %, even when the stratification parameter is as low as 0.707, the Reynolds number is as low as 100 and the aspect ratio (length/diameter) of the cylinder is as low as 2, and the secondary flow velocity is as high as 0.2 times the maximum base flow velocity. The predictions of the generalized models are also significantly better than those of the original Onsager and Carrier-Maslen models, which are restricted to thin boundary layers in the limit of high stratification parameter.

Homogenization of eigenvalue problems in perforated domains

In this paper, we treat some eigenvalue problems in periodically perforated domains and study the asymptotic behaviour of the eigenvalues and the eigenvectors when the number of holes in the domain increases to infinity Using the method of asymptotic expansion, we give explicit formula for the homogenized coefficients and expansion for eigenvalues and eigenvectors. If we denote by ε the size of each hole in the domain, then we obtain the following aysmptotic expansion for the eigenvalues: Dirichlet: λε = ε−2 λ + λ0 +O (ε), Stekloff: λε = ελ1 +O (ε2), Neumann: λε = λ0 + ελ1 +O (ε2).Using the method of energy, we prove a theorem of convergence in each case considered here. We briefly study correctors in the case of Neumann eigenvalue problem.