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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

The matrix exponential in transient structural analysis

The primary usefulness of the presented theory is in the ability to represent the effects of high frequency linear response with accuracy, without requiring very small time steps in the analysis of dynamic response. The matrix exponential contains a series approximation to the dynamic model. However, unlike the usual analysis procedure which truncates the high frequency response, the approximation in the exponential matrix solution is in the time domain. By truncating the series solution to the matrix exponential short, the solution is made inaccurate after a certain time. Yet, up to that time the solution is extremely accurate, including all high frequency effects. By taking finite time increments, the exponential matrix solution can compute the response very accurately. Use of the exponential matrix in structural dynamics is demonstrated by simulating the free vibration response of multi degree of freedom models of cantilever beams.

Minnetyan, Levon↗
DOE OSTI2012

Using Laguerre polynomials to compute the matrix exponential in burnup calculations

An essential part of burnup analysis is to solve the burnup equations. The burnup equations can be regarded as a first-order linear system and solved by means of matrix exponential methods. Because of its large spectrum, it is difficult to compute the exponential of the burnup matrix. Conventional methods of computing the matrix exponential, such as the truncated Taylor expansion and the Pade approximation, are not applicable to burnup calculations. Recently the Chebyshev Rational Approximation Method (CRAM) has been applied to solve burnup matrix exponential and shown to be robust and accurate. However, the main defect of CRAM is that its coefficients are not easy to obtain. In this paper, an orthogonal polynomial expansion method, called Laguerre Polynomial Approximation Method (LPAM), is proposed to compute the matrix exponential in burnup calculations. The polynomial sequence of LPAM can be easily computed in any order and thus LPAM is quite convenient to be utilized into burnup codes. Two typical test cases with the decay and cross-section data taken from the standard ORIGEN 2.1 libraries are calculated for validation, against the reference results provided by CRAM of 14 order. Numerical results show that, LPAM is sufficiently accurate for burnup calculations. The influences of the parameters on the convergence of LPAM are also discussed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2019

Matrix Exponential in C/C++ Version of Vector Radiative Transfer Code IPOL

We use only left eigenvectors to evaluate the matrix exponential in the method of discrete ordinates for the vector radiative transfer equation, which neglects circular polarization, in a plane-parallel atmosphere. This is contrary to a common practice of using the right eigenvectors to evaluate the matrix exponential combined with the left eigenvectors to avoid the inversion of the matrix of the right ones. Two numerical tests for Rayleigh and Aerosol scattering confirm our idea. For better explanation of our approach and for independent crosscheck of our results, we distribute an example in C/C++.

Sergey Korkin↗
NASA NTRS1972

Application of the matrix exponential kernel

A point matrix kernel for radiation transport, developed by the transmission matrix method, has been used to develop buildup factors and energy spectra through slab layers of different materials for a point isotropic source. Combinations of lead-water slabs were chosen for examples because of the extreme differences in shielding properties of these two materials.

Rohach, A. F.↗
DOE OSTI2023

The Legendre Polynomial Axial Expansion Method

This work presents a new formulation of the axial expansion transport method explicitly using Legendre polynomials for arbitrarily high-order expansions. This new formulation also features an alternative method of axial leakage calculation to allow for nonextruded flat source region meshes. This alternative axial leakage is introduced alongside a balance equation requirement to ensure that neutron balance is preserved in the coarse mesh for a given axial leakage formulation, which allows for effective coarse mesh finite difference acceleration. A matrix exponential table method is derived to allow for fast computations of arbitrarily high-order matrix exponentials for this work and precludes the need for further research into matrix exponential calculations for this method. Numerical results are presented that demonstrate the stability of the axial expansion method in systems with voidlike regions, showcase the speedup from matrix exponential tables, and investigate the axial convergence of the method in terms of both expansion order and mesh size.

Herring, Nicholas↗
DOE OSTI2025

ORMATEX

The Oak Ridge Matrix Exponential (ORMATEX) software library contains methods to compute the matrix exponential and the action of the matrix exponential on a vector. Additionally, this package contains the related methods for the phi-functions which commonly appear in a wide class of exponential time integration methods. Krylov methods are provided to evaluate the matrix exponential-vector and phi-vector products for cases where the matrix is large and sparse. Utilizing these methods, ORMATEX implements performant exponential integrators for large systems of coupled ordinary differential equations (ODEs). The exponential time integration routines in ORMATEX are particularly suitable to large, stiff systems of equations. These routines may be utilized as a competitive alternative to classical implicit and explicit time integration schemes for certain classes of differential equations where the problem stiffness can be predominately explained by the linear terms.

Gurecky, William [Oak Ridge National Laboratory (O↗
DOE OSTI2022

Exponential time differencing scheme for mass transport and depletion in molten salt reactors

This work extends the capability previously shown for addressing the problem of computing depletion and mass transport calculations in molten salt reactors (MSRs) by calculating matrix exponentials. Additional algorithms are implemented to compute the matrix exponential and the action of the matrix exponential on a matrix. These algorithms include two methods based on the Pade approximation, a Taylor series method, and three methods based on Cauchy's integral formula. In addition to the added matrix exponential solvers, a variable-order total variation diminishing scheme is applied to the convective flux approximation to provide enhanced accuracy. Finally, a simplified MSR problem is shown for each of the exponential time differencing solvers along with classical backwards differencing integrators. The results show excellent convergence for exponential time differencing methods. Computation time is a key element for selecting the optimal solver in these problems, and this work shows that Pade and Cauchy-based solvers may provided the fastest and most accurate solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1991

Application of Krylov exponential propagation to fluid dynamics equations

An application of matrix exponentiation via Krylov subspace projection to the solution of fluid dynamics problems is presented. The main idea is to approximate the operation exp(A)v by means of a projection-like process onto a krylov subspace. This results in a computation of an exponential matrix vector product similar to the one above but of a much smaller size. Time integration schemes can then be devised to exploit this basic computational kernel. The motivation of this approach is to provide time-integration schemes that are essentially of an explicit nature but which have good stability properties.

Saad, Youcef↗
NASA NTRS1991

Application of Krylov exponential propagation to fluid dynamics equations

This paper presents an application of matrix exponentiation via Krylov subspace projection, to the solution of fluid dynamics problems. The main idea is to approximate the operation exp(A)v by means of a projection-like process onto a Krylov subspace. This results in a computation of an exponential matrix vector product similar to the one above but of a much smaller size. Time integration schemes can then be devised to exploit this basic computational kernel. The motivation of this approach is to provide time-integration schemes that are essentially of an explicit nature but which have good stability properties.

Saad, Y.↗
DOE OSTI2015

Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories

Auxiliary matrix exponential method is used to derive simple and numerically efficient general expressions for the following, historically rather cumbersome, and hard to compute, theoretical methods: (1) average Hamiltonian theory following interaction representation transformations; (2) Bloch-Redfield-Wangsness theory of nuclear and electron relaxation; (3) gradient ascent pulse engineering version of quantum optimal control theory. In the context of spin dynamics, the auxiliary matrix exponential method is more efficient than methods based on matrix factorizations and also exhibits more favourable complexity scaling with the dimension of the Hamiltonian matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

A quasi-analytical method for non-iterative computation of nonlinear controls

An optimal control solution process was developed for a general class of nonlinear dynamical systems. The method combines control theory, perturbation methods, and Van Loan's recent matrix exponential results. A variety of applications support the practical utility of this method. Nonlinear rigid body optimal maneuvers are routinely solved. Flexible body dynamical systems of an order greater than 40 were solved. The method fails occasionally due to poor convergence of the perturbation expansion or numerical difficulties associated with computing the matrix exponential. The method is attractive because it appears to be a good candidate for semi-automation; no initial guess is required, and it usually converges at 2nd or 3rd order in minutes of machine time.

Junkins, J. L.↗
DOE OSTI2024

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Solving the Bateman equations in CASMO5 using implicit ode numerical methods for stiff systems

The Bateman equations, which describe the transmutation of nuclides over time as a result of radioactive decay, absorption, and fission, are often numerically stiff. This is especially true if short-lived nuclides are included in the system. This paper describes the use of implicit numerical methods for o D Es applied to the stiff Bateman equations, specifically employing the Backward Differentiation Formulas (BDF) form of the linear multistep method. As is true in other domains, using an implicit method removes or lessens the (sometimes severe) step-length constraints by which explicit methods must abide. To gauge its accuracy and speed, the BDF method is compared to a variety of other solution methods, including Runge-Kutta explicit methods and matrix exponential methods such as the Chebyshev Rational Approximation Method (CRAM). A preliminary test case was chosen as representative of a PWR lattice depletion step and was solved with numerical libraries called from a Python front-end. The Figure of Merit (a combined measure of accuracy and efficiency) for the BDF method was nearly identical to that for CRAM, while explicit methods and other matrix exponential approximations trailed behind. The test case includes 319 nuclides, in which the shortest-lived nuclide is {sup 98}Nb with a half-life of 2.86 seconds. Finally, the BDF and CRAM methods were compared within CASMO5, where CRAM had a FOM about four times better than BDF, although the BDF implementation was not fully optimized. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2013

Accuracy considerations for Chebyshev rational approximation method (CRAM) in Burnup calculations

The burnup equations can in principle be solved by computing the exponential of the burnup matrix. However, due to the difficult numerical characteristics of burnup matrices, the problem is extremely stiff and the matrix exponential solution has previously been considered infeasible for an entire burnup system containing over a thousand nuclides. It was recently discovered by the author that the eigenvalues of burnup matrices are generally located near the negative real axis, which prompted introducing the Chebyshev rational approximation method (CRAM) for solving the burnup equations. CRAM can be characterized as the best rational approximation on the negative real axis and it has been shown to be capable of simultaneously solving an entire burnup system both accurately and efficiently. In this paper, the accuracy of CRAM is further studied in the context of burnup equations. The approximation error is analyzed based on the eigenvalue decomposition of the burnup matrix. It is deduced that the relative accuracy of CRAM may be compromised if a nuclide concentration diminishes significantly during the considered time step. Numerical results are presented for two test cases, the first one representing a small burnup system with 36 nuclides and the second one a full a decay system with 1531 nuclides. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1982

Numerical computation of exponential matrices using the Cayley-Hamilton theorem

A method for computing exponential matrices, which often arise naturally in the solution of systems of linear differential equations, is developed. An exponential matrix is generated as a linear combination of a finite number (equal to the matrix order) of matrices, the coefficients of which are scalar infinite sums. The method can be generalized to apply to any formal power series of matrices. Attention is focused upon the exponential function, and the matrix exponent is assumed tri-diagonal in form. In such cases, the terms in the coefficient infinite sums can be extracted, as recursion relations, from the characteristic polynomial of the matrix exponent. Two numerical examples are presented in some detail: (1) the three dimensional infinitesimal rotation rate matrix, which is skew symmetric, and (2) an N-dimensional tri-diagonal and symmetric finite difference matrix which arises in the numerical solution of the heat conduction partial differential equation. In the second example, the known eigenvalues and eigenvectors of the finite difference matrix permit an analytical solution for the exponential matrix, through the theory of diagonalization and similarity transformations, which is used for independent verification. The convergence properties of the scalar infinite summations are investigated for finite difference matrices of various orders up to ten, and it is found that the number of terms required for convergence increases slowly with the order of the matrix.

Walden, H.↗
DOE OSTI2023

Exploiting Kronecker structure in exponential integrators: Fast approximation of the action of φ $-$functions of matrices via quadrature

Here, in this article, we propose an algorithm for approximating the action of φ $-$ functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum structure, which arise from problems admitting a tensor product representation. The method is based on quadrature approximations of the integral form of the φ $-$ functions combined with a scaling and modified squaring method. Owing to the Kronecker sum representation, only actions of 1D matrix exponentials are needed at each quadrature node and assembly of the full matrix can be avoided. Additionally, we derive a priori bounds for the quadrature error, which show that, as expected by classical theory, the rate of convergence of our method is supergeometric. Guided by our analysis, we construct a fast and robust method for estimating the optimal scaling factor and number of quadrature nodes that minimizes the total cost for a prescribed error tolerance. We investigate the performance of our algorithm by solving several linear and semilinear time-dependent problems in 2D and 3D. The results show that our method is accurate and orders of magnitude faster than the current state-of-the-art.

97 MATHEMATICS AND COMPUTING↗