Eigenvalue Problem Research Articles

Energies and spectra of solids from the algorithmic inversion of dynamical Hubbard functionals

Energy functionals of the Green's function can simultaneously provide spectral and thermodynamic properties of interacting electrons' systems. Although powerful in principle, these formulations need to deal with dynamical (frequency-dependent) quantities, increasing the algorithmic and numerical complexity and limiting applications. We first show that, when representing all frequency-dependent propagators as sums over poles—a truncated Lehmann representation—, the typical operations of dynamical formulations become closed (i.e., all quantities are expressed as sums over poles) and analytical. In the framework, the Dyson equation is mapped into a nonlinear eigenvalue problem that can be solved exactly; this is achieved by introducing a fictitious noninteracting system with additional degrees of freedom, which shares, upon projection, the same Green's function of the real system. In addition, we introduce an approximation to the exchange-correlation part of the Klein functional adopting a localized GW approach; this is a generalization of the static Hubbard extension of density-functional theory with a dynamical screened potential U(ω). We showcase the algorithmic efficiency of the method, and the physical accuracy of the functional, by computing the spectral, thermodynamic, and vibrational properties of SrVO3, finding results in close agreement with experiments and state-of-the-art methods, at highly reduced computational costs and with a transparent physical interpretation. Published by the American Physical Society 2024

Rapid computation of Hopf bifurcation points of continuous and discrete systems through minimization

For an autonomous nonlinear system, the Hopf bifurcation point along the equilibrium path is a critical feature that indicates whether the values of the parameters change from exhibiting fixed-point behavior to having a periodic orbit. To solve these problems, we developed a method of transforming an eigenvalue problem based on the Jacobian matrix at equilibrium into a minimization problem, enabling the rapid identification of a solution. Specifically, this generalized eigenvalue problem is solved by identifying the vector variable after reducing the number of eigenequations by one in the nonhomogeneous linear system. This can be achieved by normalizing the value of a selected nonzero component of the eigenvector and then moving the column containing this component to the other side of the equation. An appropriate merit function was established in terms of the Euclidean norm of the eigenequation, and this merit function was minimized using the golden section search algorithm to determine the eigenparameters of the bifurcation point. The accuracy of the method for identifying the parameter values and the corresponding imaginary eigenvalues at the Hopf bifurcation points was evaluated for numerous examples for both the continuous and discrete systems. The method was both fast and accurate. Moreover, its stability in the presence of noise was investigated, and the method was robust.

Formulating strain-based quadrilateral membrane finite elements with drilling rotations

Membrane finite elements with drilling degrees of freedom have sparked interest in many research works since they can be conveniently combined with plates to form shell elements. This study presents two non-conforming strain-based four-node quadrilateral membrane elements, SBQ13 and SBQ13E, for static analysis. SBQ13 partially satisfies the equilibrium equations, while SBQ13E completely fulfils the force balance equations. Both elements carry drilling rotations at each node. One difficulty when formulating quadrilateral elements is the singularity in the transformation matrix, which is addressed in this study by utilising the properties of singular matrices. Both quadrilateral elements were tested in several benchmark problems. It has been found that both elements passed the higher-order patch test but failed the constant stress patch test. Nevertheless, SBQ13 produced accurate responses in most numerical tests, but SBQ13E unreasonably overestimated the solution. Solving the eigenvalue problem revealed that the SBQ13E element has a near-zero energy deformation mode, which might explain the anomaly. Although fulfilling equilibrium does not always enhance solution accuracy, it is essential to overcome volumetric locking. Apart from the newly developed elements, this paper presents several new ideas that may apply to strain-based element formulations.

Double diffusion convection of Maxwell–Cattaneo fluids in a vertical slot

Abstract The convection stability of Maxwell–Cattaneo fluids in a vertical double-diffusive layer is investigated. Maxwell–Cattaneo fluids mean that the response of the heat flux with respect to the temperature gradient satisfies a relaxation time law rather than the classical Fourier one. The Chebyshev collocation method is used to resolve the linearized forms of perturbation equations, leading to the formulation of stability eigenvalue problem. By numerically solving the eigenvalue problem, the neutral stability curves in the a–Gr plane for the different values of solute Rayleigh number RaS are obtained. Results show that increasing the double diffusion effect and Louis number Le can suppress the convective instability. Furthermore, compared with Fourier fluid, the Maxwell–Cattaneo fluids in a vertical slot cause an oscillation on the neutral stability curve. The appearance of Maxwell–Cattaneo effect enhances the convection instability. Meanwhile, it is interesting to find that the Maxwell–Cattaneo effect for convective instability becomes stronger as the Prandtl number rises. That means Prandtl number (Pr) also has a significant effect on convective instability. Moreover, the occurrence of two minima on the neutral curve can be found when Pr reaches 12.

Modeling and solution of eigenvalue problems of laminated cylindrical shells consisting of nanocomposite plies in thermal environments

This work is dedicated to the modeling and solution of eigenvalue problems within shear deformation theory (SDT) of laminated cylindrical shells containing nanocomposite plies subjected to axial compressive load in thermal environments. In this study, the shear deformation theory for homogeneous laminated shells is extended to laminated shells consisting of functionally graded (FG) nanocomposite layers. The nanocomposite plies of laminated cylindrical shells (LCSs) are arranged in a piecewise FG distribution along the thickness direction. Temperature-dependent material properties of FG-nanocomposite plies are estimated through a micromechanical model, and CNT efficiency parameters are calibrated based on polymer material properties obtained from molecular dynamics simulations. After mathematical modeling, second-order time-dependent and fourth-order coordinate-dependent partial differential equations are derived within SDT, and a closed-form solution for the dimensionless frequency parameter and critical axial load is obtained for first time. After the accuracy of the applied methodology is confirmed by numerical comparisons, the unique influences of ply models, the number and sequence of plies and the temperature on the critical axial load and vibration frequency parameter within SDT and Kirchhoff–Love theory (KLT) are presented with numerical examples.

Spectral approximation and error analysis for the transmission eigenvalue problem with an isotropic inhomogeneous medium

In this paper, we propose an effective Legendre-Fourier spectral method for the transmission eigenvalue problem in polar geometry with an isotropic inhomogeneous medium. The basic idea of this methodology is to rewrite the initial problem into its equivalent form by using polar coordinates and some specially designed polar conditions. A variational method and its discrete version (i.e., Legendre-Fourier spectral method) are then presented within a class of weighted Sobolev spaces. With the help of the spectral theory of compact operators and the approximation properties of some specially designed projections in non-uniformly weighted Sobolev spaces, error estimates with spectral accuracy of the Legendre-Fourier spectral method for both the eigenvalue and eigenfunction approximations are established. Numerical experiments are presented to confirm the theoretical findings and the efficiency of our algorithm.

A cylindrical shell model with distributed springs for a rotating tire

In a companion paper (Vol. 248, Article 108227), we demonstrated the dependence of tire parameters on the modal characteristics of a stationary tire. For a more realistic scenario, when tire rotation is considered, the modal characteristics are veered due to centrifugal, Coriolis, and gyroscopic effects. In this paper, we study the forced vibration response of a rotating tire and also consider the effect of static load on modal characteristics. The tire tread is modeled as a cylindrical shell and the sidewall is modeled using distributed springs in axial, circumferential, and radial directions. The tire inflation pressure is accounted for, which generates pre-stresses in the tire belt in circumferential and axial directions. The material model incorporates an orthotropic composite structure of the tire with multiple stacked layers of steel belt reinforcing. The governing equations of motion of the rotating shell are derived and further reduced to the corresponding eigenvalue problem. Galerkin’s projection with orthogonal basis functions is used to obtain the natural frequencies and associated mode shapes. For the forced vibration, the tire is excited by a harmonic point load at a fixed location, and the response is calculated by superimposing the basis functions of the free vibration problem. The analytical model predictions are compared against the computation finite element (FE) model developed in ABAQUS® and experimental modal testing results. To understand the effects of rotation on wave propagation, dispersion relations were obtained, and the wave number spectrum of the rotating tire was compared with that of the stationary one. Finally, to understand the dependence of natural frequencies on tire rotation and normal load, Campbell diagrams and frequency response functions (FRFs) were obtained from the proposed model. The model shows a fairly good agreement with experimental results and FE simulations.

Adaptive choice of near-optimal expansion points for interpolation-based structure-preserving model reduction

Interpolation-based methods are well-established and effective approaches for the efficient generation of accurate reduced-order surrogate models. Common challenges for such methods are the automatic selection of good or even optimal interpolation points and the appropriate size of the reduced-order model. An approach that addresses the first problem for linear, unstructured systems is the iterative rational Krylov algorithm (IRKA), which computes optimal interpolation points through iterative updates by solving linear eigenvalue problems. However, in the case of preserving internal system structures, optimal interpolation points are unknown, and heuristics based on nonlinear eigenvalue problems result in numbers of potential interpolation points that typically exceed the reasonable size of reduced-order systems. In our work, we propose a projection-based iterative interpolation method inspired by IRKA for generally structured systems to adaptively compute near-optimal interpolation points as well as an appropriate size for the reduced-order system. Additionally, the iterative updates of the interpolation points can be chosen such that the reduced-order model provides an accurate approximation in specified frequency ranges of interest. For such applications, our new approach outperforms the established methods in terms of accuracy and computational effort. We show this in numerical examples with different structures.

On the complex mode shapes and natural frequencies of clamped-clamped fluid-conveying pipe

In the present study, the closed-form expression for complex mode shapes of a fluid-conveying pipe using Timoshenko beam theory is developed for the first time. By applying the method of separation of variables, the complex mode shapes and eigenvalues are obtained. To the best knowledge of the authors, there is no study carried out on the complex eigenvalue problem for vibration analysis of the Timoshenko fluid-conveying pipes. Given this oversight, in this study the effects of fluid velocity on the imaginary and real parts of the mode shapes and natural frequencies of a clamped-clamped fluid-conveying pipe are investigated. The results show that for very low fluid velocities, the first and the second mode shapes are similar to that of an equivalent beam. For high fluid velocities, the first mode shape experiences some deviation so that it looks like the second mode shape of a pipe having very low fluid velocity. The results show that fluid flow in the pipeline effectively reduces its bending moment as well as the energy of vibration. In addition, the nodal points corresponding to the second mode are replaced with quasi-node points.

Effect of viscosity variation with temperature on convective instability in a hot dusty ferrofluid layer with permeable boundaries

As the subject under consideration has numerous industrial, biological, and environmental applications, so the prime objective of this article is to investigate the onset of thermal convection in a dusty ferrofluid layer under the effect of change in viscosity due to temperature in the presence of permeable boundaries. The linear stability analysis is employed to acquire the eigenvalue problem and then the eigenvalue problem is solved for the stationary convection mode using a single-term Galerkin method. The numerical values of critical wave number and critical Rayleigh number are calculated using MATLAB software, and the results are graphically displayed. The investigation shows that the permeability of the boundaries affects the size of the convection cells that form at the beginning of thermal convection. Further, it is found that the parameters related to temperature-dependent viscosity and permeable boundaries have a stabilizing effect on the system, while magnetic and dust particle parameters destabilize the system.

Floquet systems with continuous dynamical symmetries: characterization, time-dependent noether charge, and solvability

We study quantum Floquet (periodically-driven) systems having continuous dynamical symmetry (CDS) consisting of a time translation and a unitary transformation on the Hilbert space. Unlike the discrete ones, the CDS strongly constrains the possible Hamiltonians H(t) and allows us to obtain all the Floquet states by solving a finite-dimensional eigenvalue problem. Besides, Noether’s theorem leads to a time-dependent conservation charge, whose expectation value is time-independent throughout evolution. We exemplify these consequences of CDS in the seminal Rabi model, an effective model of a nitrogen-vacancy center in diamonds without strain terms, and Heisenberg spin models in rotating fields. Our results provide a systematic way of solving for Floquet states and explain how they avoid hybridization in quasienergy diagrams.

Algebraic Varieties in Quantum Chemistry

AbstractWe develop algebraic geometry for coupled cluster (CC) theory of quantum many-body systems. The high-dimensional eigenvalue problems that encode the electronic Schrödinger equation are approximated by a hierarchy of polynomial systems at various levels of truncation. The exponential parametrization of the eigenstates gives rise to truncation varieties. These generalize Grassmannians in their Plücker embedding. We explain how to derive Hamiltonians, we offer a detailed study of truncation varieties and their CC degrees, and we present the state of the art in solving the CC equations.

Linear and weakly nonlinear analyses of double‐diffusive convection in porous media with chemical reaction using LTNE model

AbstractThe onset of convection in a horizontal porous layer with chemical reaction and local thermal nonequilibrium is investigated. The nondimensional governing equations have been solved using the normal mode technique, which results in an eigenvalue problem. The analytical expressions for both stationary and oscillatory Rayleigh numbers are obtained. The effect of different parameters has been investigated and presented. The amplitude equation is derived using weakly nonlinear theory. Nusselt number is calculated using an amplitude equation to investigate heat transport. When modeling a fluid‐saturated porous medium, previous research on double‐diffusive convection has uniformly operated under the assumption of local thermal equilibrium (LTE) between the fluid and solid phases at all points within the medium. This standard practice assumes a minimal temperature gradient between the phases at any given location. However, in practical scenarios involving high‐speed flows or significant temperature differentials between the fluid and solid phases, the LTE assumption proves insufficient.

Power-law relaxation of a confined diffusing particle subject to resetting with memory

We study the relaxation of a Brownian particle with long range memory under confinement in one dimension. The particle diffuses in an arbitrary confining potential and resets at random times to previously visited positions, chosen with a probability proportional to the local time spent there by the particle since the initial time. This model mimics an animal which moves erratically in its home range and returns preferentially to familiar places from time to time, as observed in nature. The steady state density of the position is given by the equilibrium Gibbs–Boltzmann distribution, as in standard diffusion, while the transient part of the density can be obtained through a mapping of the Fokker–Planck equation of the process to a Schrödinger eigenvalue problem. Due to memory, the approach at late times toward the steady state is critically self-organised, in the sense that it always follows a sluggish power-law form, in contrast to the exponential decay that characterises Markov processes. The exponent of this power-law depends in a simple way on the resetting rate and on the leading relaxation rate of the Brownian particle in the absence of resetting. We apply these findings to several exactly solvable examples, such as the harmonic, V-shaped and box potentials.

An inverse eigenvalue problem for structured matrices determined by graph pairs

Given a pair of real symmetric matrices A,B∈Rn×n with nonzero patterns determined by the edges of any pair of chosen graphs on n vertices, we consider an inverse eigenvalue problem for the structured matrix C=[ABIO]∈R2n×2n. We conjecture that C can attain any spectrum that is closed under conjugation. We use a structured Jacobian method to prove this conjecture for A and B of orders at most 4 or when the graph of A has a Hamilton path, and prove a weaker version of this conjecture for any pair of graphs with a restriction on the multiplicities of eigenvalues of C.

The nonnegative inverse eigenvalue problem with prescribed zero patterns in dimension three

The nonnegative inverse eigenvalue problem is considered in this paper with the additional restriction of fixed zero patterns in the matrix. A full analysis of the $3\times 3$ case is given. Some remarks on the four-dimensional case are made.

A novel hybrid variation iteration method and eigenvalues of fractional order singular eigenvalue problems

A novel hybrid variation iteration method and eigenvalues of fractional order singular eigenvalue problems

Analysis of eigenvalue condition numbers for a class of randomized numerical methods for singular matrix pencils

The numerical solution of the generalized eigenvalue problem for a singular matrix pencil is challenging due to the discontinuity of its eigenvalues. Classically, such problems are addressed by first extracting the regular part through the staircase form and then applying a standard solver, such as the QZ algorithm, to that regular part. Recently, several novel approaches have been proposed to transform the singular pencil into a regular pencil by relatively simple randomized modifications. In this work, we analyze three such methods by Hochstenbach, Mehl, and Plestenjak that modify, project, or augment the pencil using random matrices. All three methods rely on the normal rank and do not alter the finite eigenvalues of the original pencil. We show that the eigenvalue condition numbers of the transformed pencils are unlikely to be much larger than the δ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\delta $$\\end{document}-weak eigenvalue condition numbers, introduced by Lotz and Noferini, of the original pencil. This not only indicates favorable numerical stability but also reconfirms that these condition numbers are a reliable criterion for detecting simple finite eigenvalues. We also provide evidence that, from a numerical stability perspective, the use of complex instead of real random matrices is preferable even for real singular matrix pencils and real eigenvalues. As a side result, we provide sharp left tail bounds for a product of two independent random variables distributed with the generalized beta distribution of the first kind or Kumaraswamy distribution.

Solving a class of infinite‐dimensional tensor eigenvalue problems by translational invariant tensor ring approximations

AbstractWe examine a method for solving an infinite‐dimensional tensor eigenvalue problem , where the infinite‐dimensional symmetric matrix exhibits a translational invariant structure. We provide a formulation of this type of problem from a numerical linear algebra point of view and describe how a power method applied to is used to obtain an approximation to the desired eigenvector. This infinite‐dimensional eigenvector is represented in a compact way by a translational invariant infinite Tensor Ring (iTR). Low rank approximation is used to keep the cost of subsequent power iterations bounded while preserving the iTR structure of the approximate eigenvector. We show how the averaged Rayleigh quotient of an iTR eigenvector approximation can be efficiently computed and introduce a projected residual to monitor its convergence. In the numerical examples, we illustrate that the norm of this projected iTR residual can also be used to automatically modify the time step to ensure accurate and rapid convergence of the power method.

Adaptive diversity-based quantum circuit architecture search

Quantum variational algorithms (VQAs) are highly promising to realize quantum advantages on near-term quantum devices. Existing VQAs based on a manually fixed quantum are computationally inefficient due to noise and the limited coupling maps of these devices. Previous work considers various quantum architecture search (QAS) algorithms to autodesign a quantum based on specific questions to improve the performance of VQAs. Compared to manual design, autodesign can more efficiently explore the large space of a possible and achieve better performance. However, two main challenges in utilizing QAS to design quantum circuits efficiently are the tremendous amount of space required for candidate quantum circuits, and the disconnection between quantum devices and autodesign in terms of qubit mapping and quantum noise. To address these issues, we propose an adaptive diversity-based quantum search algorithm to efficiently generate the optimal quantum circuit based on device qubit mapping and noise. By considering the diversity among different candidate circuits and adaptively adding circuit depths, our approach only needs to focus on a small optimization space at each iteration step. In addition, the synchronization of optimizing circuit structure and aligning qubit mapping enables us to generate quantum circuits while avoiding additional mapping overhead. We evaluate the performance of our algorithm on simulators and real quantum devices for quantum eigenvalue problems and classification tasks. Results demonstrate that quantum circuits generated by our method outperform both a fixed hardware-efficient and randomly generated quantum circuits in terms of final performance and resource-saving. Our algorithm provides a flexible way to efficiently generate excellent quantum circuits for significantly improving the performances of VQAs on near-term quantum devices. Published by the American Physical Society 2024