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NASA NTRS1998

Self-Similar Compressible Free Vortices

Lie group methods are used to find both exact and numerical similarity solutions for compressible perturbations to all incompressible, two-dimensional, axisymmetric vortex reference flow. The reference flow vorticity satisfies an eigenvalue problem for which the solutions are a set of two-dimensional, self-similar, incompressible vortices. These solutions are augmented by deriving a conserved quantity for each eigenvalue, and identifying a Lie group which leaves the reference flow equations invariant. The partial differential equations governing the compressible perturbations to these reference flows are also invariant under the action of the same group. The similarity variables found with this group are used to determine the decay rates of the velocities and thermodynamic variables in the self-similar flows, and to reduce the governing partial differential equations to a set of ordinary differential equations. The ODE's are solved analytically and numerically for a Taylor vortex reference flow, and numerically for an Oseen vortex reference flow. The solutions are used to examine the dependencies of the temperature, density, entropy, dissipation and radial velocity on the Prandtl number. Also, experimental data on compressible free vortex flow are compared to the analytical results, the evolution of vortices from initial states which are not self-similar is discussed, and the energy transfer in a slightly-compressible vortex is considered.

vonEllenrieder, Karl↗

DOE OSTI2022

Quantum Krylov subspace algorithms for ground- and excited-state energy estimation

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground- and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form $\langle \phi_i|e^{-\widehat{H}τ}|\phi_j\rangle$, the associated quantum circuits require an ancilla qubit with controlled multiqubit gates that can be quite costly for near-term quantum hardware. In this paper, we show that a wide class of Hamiltonians relevant to condensed-matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multifidelity estimation protocol that can be used to compute such quantities, showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, here we develop a unified theory of quantum Krylov subspace algorithms and present three quantum-classical algorithms for the ground- and excited-state energy estimation problems, where each algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Two methods for calculating linear frequency domain aerodynamic coefficients from a time marching Full Potential cascade solver are developed and verified. In the first method, the Influence Coefficient, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier Transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers.

Bakhle, Milind A.↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Bakhle, M. A.↗

NASA NTRS1991

Cascade flutter analysis with transient response aerodynamics

Two methods for calculating linear frequency domain aerodynamic coefficients from a time-marching Full-Potential cascade solver are developed and verified. In the first method, the Influence Coefficient method, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response method, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers using both flat plates and actual airfoils.

Bakhle, Milind A.↗

DOE OSTI2021

An FFT-based approach for Bloch wave analysis: application to polycrystals

A method based on the Fast Fourier Transform is proposed to obtain the dispersion relation of acoustic waves in heterogeneous periodic media with arbitrary microstructures. The microstructure is explicitly considered using a voxelized Representative Volume Element (RVE). The dispersion diagram is obtained solving an eigenvalue problem for Bloch waves in Fourier space. To this aim, two linear operators representing stiffness and mass are defined through the use of differential operators in Fourier space. The smallest eigenvalues are obtained using the implicitly restarted Lanczos and the subspace iteration methods, and the required inverse of the stiffness operator is done using the conjugate gradient with a preconditioner. The method is used to study the propagation of acoustic waves in elastic polycrystals, showing the strong effect of crystal anistropy and polycrystaline texture on the propagation. It is shown that the method combines the simplicity of classical Fourier series analysis with the versatility of Finite Elements to account for complex geometries proving an efficient and general approach which allows the use of large RVEs in 3D.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1994

Parabolized stability equations

The parabolized stability equations (PSE) are a new approach to analyze the streamwise evolution of single or interacting Fourier modes in weakly nonparallel flows such as boundary layers. The concept rests on the decomposition of every mode into a slowly varying amplitude function and a wave function with slowly varying wave number. The neglect of the small second derivatives of the slowly varying functions with respect to the streamwise variable leads to an initial boundary-value problem that can be solved by numerical marching procedures. The PSE approach is valid in convectively unstable flows. The equations for a single mode are closely related to those of the traditional eigenvalue problems for linear stability analysis. However, the PSE approach does not exploit the homogeneity of the problem and, therefore, can be utilized to analyze forced modes and the nonlinear growth and interaction of an initial disturbance field. In contrast to the traditional patching of local solutions, the PSE provide the spatial evolution of modes with proper account for their history. The PSE approach allows studies of secondary instabilities without the constraints of the Floquet analysis and reproduces the established experimental, theoretical, and computational benchmark results on transition up to the breakdown stage. The method matches or exceeds the demonstrated capabilities of current spatial Navier-Stokes solvers at a small fraction of their computational cost. Recent applications include studies on localized or distributed receptivity and prediction of transition in model environments for realistic engineering problems. This report describes the basis, intricacies, and some applications of the PSE methodology.

Herbert, Thorwald↗

DOE OSTI2016

Multiscale modeling and computation of optically manipulated nano devices

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, and use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1975

Numerical methods for evaluating the derivatives of eigenvalues and eigenvectors

Two numerical methods are presented for computing the derivatives of eigenvalues and eigenvectors which do not require complete solution of the eigenvalue problem if only a few derivatives are sought. The 'iterative' method may be used to find the first derivative of one or all of the eigenvectors together with the second derivative of their eigenvalues in a self-adjoint system. If the left- and right-hand eigenvectors are known, the first derivative of the eigenvector corresponding to the largest eigenvalue and the second derivative of the largest eigenvalue may be obtained for a nonself-adjoint system. The 'algebraic' method may be used to find all orders of the derivatives, provided they exist, without requiring the left-hand eigenvectors.

Rudisill, C. S.↗

NASA NTRS1976

A comparison of matrix methods for calculating eigenvalues in acoustically lined ducts

Three approximate methods - finite differences, weighted residuals, and finite elements - were used to solve the eigenvalue problem which arises in finding the acoustic modes and propagation constants in an absorptively lined two-dimensional duct without airflow. The matrix equations derived for each of these methods were solved for the eigenvalues corresponding to various values of wall impedance. Two matrix orders, 20 x 20 and 40 x 40, were used. The cases considered included values of wall admittance for which exact eigenvalues were known and for which several nearly equal roots were present. Ten of the lower order eigenvalues obtained from the three approximate methods were compared with solutions calculated from the exact characteristic equation in order to make an assessment of the relative accuracy and reliability of the three methods. The best results were given by the finite element method using a cubic polynomial. Excellent accuracy was consistently obtained, even for nearly equal eigenvalues, by using a 20 x 20 order matrix.

Watson, W.↗

NASA NTRS1976

The method of Ritz applied to the equation of Hamilton

Without any reference to the theory of differential equations, the initial value problem of the nonlinear, nonconservative double pendulum system is solved by the application of the method of Ritz to the equation of Hamilton. Also shown is an example of the reduction of the traditional eigenvalue problem of linear, homogeneous, differential equations of motion to the solution of a set of nonhomogeneous algebraic equations. No theory of differential equations is used. Solution of the time-space path of the linear oscillator is demonstrated and compared to the exact solution.

Bailey, C. D.↗

NASA NTRS1990

An efficient design sensitivity analysis of eigenvectors

Subspace iteration has been a major advance in solving large eigen problems when only a subset of eigen-pairs is required. The essence of this method is a transformation from displacement coordinates of an n-th order eigensystem to generalized coordinates of a smaller q-th order. The eigenvalue problem is then solved in the reduced space. The method was first developed by Clint and Jennings for real symmetric systems and was then called 'simultaneous iteration'. The success of the method prompted further research along this line and there have been many improved algorithms developed. This approach has been widely used by structural engineers for extracting the most useful natural frequencies and mode shapes of large-scale dynamic systems. This paper exploits into a new direction which is in the form of iterative process for simultaneously calculating eigenvector derivatives of many eigenvectors with respect to multi-variables. The method fully uses all the available information from preceding eigenvalue solution and, thus, effectively economizes computational efforts. It iterates through two equations derived from the first variation of the two fundamental equations used in subspace iteration method. There is no expensive large matrix decomposition required and the process converges to acceptable solution in a finite number of iterations. Therefore, the procedure increases its efficiency superiority over the others as the system size or the number of interested eigenvectors become larger and larger.

Ting, T.↗

NASA NTRS1993

Improved Finite Element Modeling of the Turbofan Engine Inlet Radiation Problem

Improvements have been made in the finite element model of the acoustic radiated field from a turbofan engine inlet in the presence of a mean flow. The problem of acoustic radiation from a turbofan engine inlet is difficult to model numerically because of the large domain and high frequencies involved. A numerical model with conventional finite elements in the near field and wave envelope elements in the far field has been constructed. By employing an irrotational mean flow assumption, both the mean flow and the acoustic perturbation problem have been posed in an axisymmetric formulation in terms of the velocity potential; thereby minimizing computer storage and time requirements. The finite element mesh has been altered in search of an improved solution. The mean flow problem has been reformulated with new boundary conditions to make it theoretically rigorous. The sound source at the fan face has been modeled as a combination of positive and negative propagating duct eigenfunctions. Therefore, a finite element duct eigenvalue problem has been solved on the fan face and the resulting modal matrix has been used to implement a source boundary condition on the fan face in the acoustic radiation problem. In the post processing of the solution, the acoustic pressure has been evaluated at Gauss points inside the elements and the nodal pressure values have been interpolated from them. This has significantly improved the results. The effect of the geometric position of the transition circle between conventional finite elements and wave envelope elements has been studied and it has been found that the transition can be made nearer to the inlet than previously assumed.

Roy, Indranil Danda↗

DOE OSTI2016

Performance Improvements for Coarse Mesh Finite Difference Acceleration L3:RTM.PRT.P13.02

The development of VERA-CS in recent years has focused on developing the capability to simulate multiple cycles of operating commercial nuclear power plants. Now that these capabilities have advanced to the point where it is being deployed to users, the focus is on improving the computational performance of various components in VERA-CS. In this work, the focus is on the Coarse Mesh Finite Difference (CMFD) solution in MPACT. CMFD serves multiple purposes in the 2D/1D solution methodology. First, it is a natural mechanism to tie together the radial MOC transport and the axial SP3 solution. Because the CMFD system solves the multigroup three-dimensional core in one system, it pulls together the global response of the system. In addition, the CMFD solution provides a framework to accelerate the convergence of the eigenvalue problem.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1983

Complex eigenvalues for the stability of Couette flow

The eigenvalue problem for the linear stability of Couette flow between rotating concentric cylinders to axisymmetric disturbances is considered. It is shown by numerical calculations and by formal perturbation methods that when the outer cylinder is at rest there exist complex eigenvalues corresponding to oscillatory damped disturbances. The structure of the first few eigenvalues in the spectrum is discussed. The results do not contradict the principle of exchange of stabilities, namely, for a fixed axial wavenumber the first mode to become unstable as the speed of the inner cylinder is increased is nonoscillatory as the stability boundary is crossed.

Diprima, R. C.↗

NASA NTRS1971

Film stability in a vertical rotating tube with a core-gas flow.

The linear hydrodynamic stability of a thin-liquid layer flowing along the inside wall of a vertical tube rotating about its axis in the presence of a core-gas flow is examined. The stability problem is formulated under the conditions that the liquid film is thin, the density and viscosity ratios of gas to liquid are small and the relative (axial) pressure gradient in the gas is of the same order as gravity. The resulting eigenvalue problem is first solved by a perturbation method appropriate to axisymmetric long-wave disturbances. The damped nature (to within the thin-film and other approximations made) of the nonaxisymmetric and short-wave disturbances is noted. In view of the limitations on a truncated perturbation solution when the disturbance wavenumber is not small, an initial value method using digital computer is presented. Stability characteristics of neutral, growing, and damped modes are presented showing the influences of rotation, surface tension, and the core-gas flow. Energy balance in a neutral mode is also illustrated.

Sarma, G. S. R.↗

NASA NTRS1988

Onset of finger convection in a horizontal porous layer underlying a fluid layer

The problem of the onset of finger convection in a porous layer underlying a fluid layer is considered using linear stability analysis. The linear stability equations for the porous layer are formulated for temperature and salinity gradients existing in both layers. The eigenvalue problem is solved by a shooting method. The solution method and associated computer program are validated by comparison with the results of Sun (1973) for the thermal convection case. Results are also presented for the onset of salt-finger convection.

Chen, F.↗

NASA NTRS2010

Fast Solution in Sparse LDA for Binary Classification

An algorithm that performs sparse linear discriminant analysis (Sparse-LDA) finds near-optimal solutions in far less time than the prior art when specialized to binary classification (of 2 classes). Sparse-LDA is a type of feature- or variable- selection problem with numerous applications in statistics, machine learning, computer vision, computational finance, operations research, and bio-informatics. Because of its combinatorial nature, feature- or variable-selection problems are NP-hard or computationally intractable in cases involving more than 30 variables or features. Therefore, one typically seeks approximate solutions by means of greedy search algorithms. The prior Sparse-LDA algorithm was a greedy algorithm that considered the best variable or feature to add/ delete to/ from its subsets in order to maximally discriminate between multiple classes of data. The present algorithm is designed for the special but prevalent case of 2-class or binary classification (e.g. 1 vs. 0, functioning vs. malfunctioning, or change versus no change). The present algorithm provides near-optimal solutions on large real-world datasets having hundreds or even thousands of variables or features (e.g. selecting the fewest wavelength bands in a hyperspectral sensor to do terrain classification) and does so in typical computation times of minutes as compared to days or weeks as taken by the prior art. Sparse LDA requires solving generalized eigenvalue problems for a large number of variable subsets (represented by the submatrices of the input within-class and between-class covariance matrices). In the general (fullrank) case, the amount of computation scales at least cubically with the number of variables and thus the size of the problems that can be solved is limited accordingly. However, in binary classification, the principal eigenvalues can be found using a special analytic formula, without resorting to costly iterative techniques. The present algorithm exploits this analytic form along with the inherent sequential nature of greedy search itself. Together this enables the use of highly-efficient partitioned-matrix-inverse techniques that result in large speedups of computation in both the forward-selection and backward-elimination stages of greedy algorithms in general.

Moghaddam, Baback↗