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At least 37 records · Page 2

Extracting and Interpreting Electrochemical Impedance Spectra (EIS) from Physics-Based Models of Lithium-Ion Batteries

This paper implements a highly efficient algorithm to extract electrochemical impedance spectra (EIS) from physics-based battery models (e.g., a P2D model). The mathematical approach is different from how EIS is practiced experimentally. Experimentally, the voltage (current) is harmonically perturbed over a wide range of frequencies and the amplitude and phase shift of the corresponding current (voltage) is measured. The experimental approach can be implemented in simulation software, but is computationally expensive. The approach here is to determine locally linear state-space models from the full physical model. The four Jacobian matrices that are the basis of the state-space models can be derived by numerical differentiation of the physical model. The EIS is then extracted from the state-space model using computationally efficient matrix-manipulation techniques. The algorithm can evaluate the full EIS at an instant in time during a transient, independent of whether the battery is in a stationary state. The approach is also able to separate the full-cell impedance to evaluate partial EIS, such as for a battery anode alone. Although such partial EIS is difficult to measure experimentally, the partial EIS provides valuable insights in interpreting the full-cell EIS.

25 ENERGY STORAGE↗

TChem v2.0 - A Software Toolkit for the Analysis of Complex Kinetic Models

TChem is an open source software library for solving complex computational chemistry problems and analyzing detailed chemical kinetic models. The software provides support for: complex kinetic models for gas-phase and surface chemistry; thermodynamic properties based on NASA polynomials; species production/consumption rates; stable time integrator for solving stiff time ordinary differential equations; and, reactor models such as homogenous gas-phase ignition (with analytical Jacobian matrices), continuously stirred tank reactor, plug-flow reactor. This toolkit builds upon earlier versions that were written in C and featured tools for gas-phase chemistry only. The current version of the software was completely refactored in C++, uses an object-oriented programming model, and adopts Kokkos as its portability layer to make it ready for the next generation computing architectures i.e., multi/many core computing platforms with GPU accelerators. We have expanded the range of kinetic models to include surface chemistry and have added examples pertaining to Continuously Stirred Tank Reactors (CSTR) and Plug Flow Reactor (PFR) models to complement the homogenous ignition examples present in the earlier versions. To exploit the massive parallelism available from modern computing platforms, the current software interface is designed to evaluate samples in parallel, which enables large scale parametric studies, e.g. for sensitivity analysis and model calibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Curved descending landing approach guidance and control

Linear optimal regulator theory is applied to a nonlinear simulation of a transport aircraft performing a helical landing approach. A closed form expression for the quasi-steady nominal flight path is presented along with the method for determining the corresponding constant nominal control inputs. The Jacobian matrices and the weighting matrices in the cost functional are time varying. A method of solving for the optimal feedback gains is reviewed. The control system is tested on several alternative landing approaches using both three and six degree flight path angles. On each landing approach, the aircraft was subjected to large random initial state errors and to randomly directed crosswinds. The system was also tested for sensitivity to changes in the parameters of the aircraft and of the atmosphere. Performance of the optimal controller on all the three degree approaches was very good, and the control system proved to be reasonably insensitive to parametric uncertainties.

Crawford, D. J.↗

Automatic guidance and control of a transport aircraft during a helical landing approach

A linear optimal regulator theory was applied to a nonlinear simulation of a transport aircraft performing a helical landing approach. A closed-form expression for the quasi-steady nominal flight path is presented along with the method for determining the corresponding constant nominal control inputs. The Jacobian matrices and the weighting matrices in the cost functional were time varying. A method of solving for the optimal feedback gains is reviewed. The control system was tested on several alternative landing approaches using both 3 deg and 6 deg flight path angles. On each landing approach, the aircraft was subjected to large random initial-state errors and to randomly directed crosswinds. The system was also tested for sensitivity to changes in the parameters of the aircraft and of the atmosphere. Results indicate that performance of the optimal controller on all the 3 deg approaches is very good. The control system proved to be reasonably insensitive to parametric uncertainties. Performance is not as good on the 6 deg approaches. A modification to the 6 deg flight path was proposed for the purpose of improving performance.

Crawford, D. J.↗

Description of a computer program and numerical techniques for developing linear perturbation models from nonlinear systems simulations

A numerical technique was developed which generates linear perturbation models from nonlinear aircraft vehicle simulations. The technique is very general and can be applied to simulations of any system that is described by nonlinear differential equations. The computer program used to generate these models is discussed, with emphasis placed on generation of the Jacobian matrices, calculation of the coefficients needed for solving the perturbation model, and generation of the solution of the linear differential equations. An example application of the technique to a nonlinear model of the NASA terminal configured vehicle is included.

Dieudonne, J. E.↗

A new algorithm for constrained nonlinear least-squares problems, part 1

A Gauss-Newton algorithm is presented for solving nonlinear least squares problems. The problem statement may include simple bounds or more general constraints on the unknowns. The algorithm uses a trust region that allows the objective function to increase with logic for retreating to best values. The computations for the linear problem are done using a least squares system solver that allows for simple bounds and linear constraints. The trust region limits are defined by a box around the current point. In its current form the algorithm is effective only for problems with small residuals, linear constraints and dense Jacobian matrices. Results on a set of test problems are encouraging.

Hanson, R. J.↗

Numerical approximations to nonlinear conservation laws with locally varying time and space grids

Numerical approximations to the initial value problem for nonlinear systems of conservation laws are considered. The considered system is said to be hyperbolic when all eigenvalues of every real linear combination of the Jacobian matrices are real. Solutions may develop discontinuities in finite time, even when the initial data are smooth. In the investigation, explicit finite difference methods which use locally varying time grids are considered. The global CFL restriction is replaced by a local restriction. The numerical flux function is studied from a finite volume viewpoint, and a differencing technique is developed at interface points between regions of distinct time increments.

Osher, S.↗

A three-dimensional Navier-Stokes/Euler code for blunt-body flow computations

The formulation computation method of an improved version of the three-dimensional Navier-Stokes/Euler computation algorithm of Li (1981) for the numerical simulation of blunt-body reentry flows are discussed, and results for five sample problems are presented graphically. The vector notation of the coordinate systems is defined; the governing equations are presented in full; the Jacobian matrices and damping terms of the factorization technique (based on the alternating-direction implicit procedure of Beam and Warming, 1978) are explained; and the capabilities, limitations and proper use of the code are summarized. Examples presented include the equilibrium-flow problem for Shuttle-orbiter reentry at Mach 22 and angle of attack 40.8 deg and the perfect-gas problem of an aerobraking orbital-transfer vehicle with an ellipsoidal/60-deg cone and a toroidal sonic shoulder. The advantages of the improved code in terms of accuracy and computation time are indicated.

Li, C. P.↗

Implicit finite-difference methods for the Euler equations

The present paper is concerned with two-dimensional Euler equations and with schemes which are in use of the time of this writing. Most of the development presented carries over directly to three dimensions. The characteristics of the two-dimensional Euler equations in Cartesian coordinates are considered along with generalized curvilinear coordinate transformations, metric relations, invariants of the transformation, flux Jacobian matrices and eigensystems, numerical algorithms, flux split algorithms, implicit and explicit nonlinear control (smoothing), upwind differencing in supersonic regions, unsteady and steady-state computation, the diagonal form of implicit algorithm, metric differencing and invariants, boundary conditions, geometry and mesh generation, and sample solutions.

Pulliam, T. H.↗

About the coupling of turbulence closure models with averaged Navier-Stokes equations

The MacCormack implicit predictor-corrector model (1981) for numerical solution of the coupled Navier-Stokes equations for turbulent flows is extended to nonconservative multiequation turbulence models, as well as the inclusion of second-order Reynolds stress turbulence closure. A scalar effective pressure turbulent contribution to the pressure field is defined to approximate the effects of the Reynolds stress in strongly sheared flows. The Jacobian matrices of the transport equations are diagonalized to reduce the required computer memory and run time. Techniques are defined for including turbulence in the diagonalization. Application of the method is demonstrated with solutions generated for transonic nozzle flow and for the interaction between a supersonic flat plate boundary layer and a 12 deg compression-expansion ramp.

Vandromme, D.↗

Nonequilibrium flow computations. 1: An analysis of numerical formulations of conservation laws

Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, nonequilibrium flows. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer Flux-vector splittings, and Roe's approximate Riemann solver are presented for 3-D, time-varying grids. The analysis is based on a thermodynamic model that includes the most general thermal and chemical nonequilibrium flow of an arbitrary gas. Various special cases are also discussed.

Liu, Yen↗

Equilibrium gas flow computations. II - An analysis of numerical formulations of conservation laws

Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, equilibrium gas laws. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer flux-vector splittings, and Roe's approximate Riemann solver are presented for three-dimensional, time-varying grids. The approximations inherent in previous generalizations are discussed.

Vinokur, Marcel↗

Domain decomposition methods for the parallel computation of reacting flows

Domain decomposition is a natural route to parallel computing for partial differential equation solvers. Subdomains of which the original domain of definition is comprised are assigned to independent processors at the price of periodic coordination between processors to compute global parameters and maintain the requisite degree of continuity of the solution at the subdomain interfaces. In the domain-decomposed solution of steady multidimensional systems of PDEs by finite difference methods using a pseudo-transient version of Newton iteration, the only portion of the computation which generally stands in the way of efficient parallelization is the solution of the large, sparse linear systems arising at each Newton step. For some Jacobian matrices drawn from an actual two-dimensional reacting flow problem, comparisons are made between relaxation-based linear solvers and also preconditioned iterative methods of Conjugate Gradient and Chebyshev type, focusing attention on both iteration count and global inner product count. The generalized minimum residual method with block-ILU preconditioning is judged the best serial method among those considered, and parallel numerical experiments on the Encore Multimax demonstrate for it approximately 10-fold speedup on 16 processors.

Keyes, David E.↗

A Navier-Stokes solver for high speed equilibrium flows and application to blunt bodies

This paper presents a finite element method for the solution of Navier-Stokes equations with the assumption of thermodynamic and chemical equilibrium. The method employs an upwind finite element technique with an implicit time-marching scheme for the solution, and uses an adaptively generated unstructured triangular mesh with several layers of quadrilateral elements near solid walls. The complexity associated with the assumption that the flow is in equilibrium is treated consistently, and the inviscid flux Jacobian matrices are derived. Several problems involving inviscid and viscous hypersonic flow past blunt are solved. Results are compared with other numerical results and experimental data, and generally good agreement is observed.

Prabhu, Ramadas K.↗

Three dimensional PNS solutions of hypersonic internal flows with equilibrium chemistry

An implicit procedure for solving parabolized Navier-Stokes equations under the assumption of a general equation of state for a gas in chemical equilibrium is given. A general and consistent approach for the evaluation of Jacobian matrices in the implicit operator avoids the use of unnecessary auxiliary quantities and approximations, and leads to a simple expression. Applications to two- and three-dimensional flow problems show efficiency in computer time and economy in storage.

Liou, May-Fun↗

Nonequilibrium flow computations. I - An analysis of numerical formulations of conservation laws

Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, nonequilibrium flows. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer Flux-vector splittings, and Roe's approximate Riemann solver are presented for 3-D, time-varying grids. The analysis is based on a thermodynamic model that includes the most general thermal and chemical nonequilibrium flow of an arbitrary gas. Various special cases are also discussed.

Liu, Yen↗

Newton's method applied to finite-difference approximations for the steady-state compressible Navier-Stokes equations

Finite-difference approximations for steady-state compressible Navier-Stokes equations, whose two spatial dimensions are written in generalized curvilinear coordinates and strong conservation-law form, are presently solved by means of Newton's method in order to obtain a lifting-airfoil flow field under subsonic and transonnic conditions. In addition to ascertaining the computational requirements of an initial guess ensuring convergence and the degree of computational efficiency obtainable via the approximate Newton method's freezing of the Jacobian matrices, attention is given to the need for auxiliary methods assessing the temporal stability of steady-state solutions. It is demonstrated that nonunique solutions of the finite-difference equations are obtainable by Newton's method in conjunction with a continuation method.

Bailey, Harry E.↗

Parallel homotopy curve tracking on a hypercube

An investigation is conducted to find good parallel algorithms for solving systems of nonlinear equations using probability-one homotopy methods. Particular attention is paid to algorithms for the hypercube. Methods for one of the most computationally expensive steps of the homotopy approach, the computation of the kernel of the Jacobian matrix of the homotopy map, are studied. General nonlinear systems of equations with small and dense Jacobian matrices are considered, however, polynomial systems are not, since their structure leads to different strategies for parallelism. The mathematics behind the homotopy algorithm is summarized and the use of orthogonal factorizations is discussed. Parallel algorithms for orthogonal factorizations and triangular system solving are described. Computational results are presented and discussed.

Chakraborty, A.↗