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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

A comparison of the efficiency of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations is presented. The methods examined include two general-purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient than evaluating the temperature by integrating its time-derivative.

Radhakrishnan, K.↗
NASA NTRS1999

Demonstration of Automatically-Generated Adjoint Code for Use in Aerodynamic Shape Optimization

Gradient-based optimization requires accurate derivatives of the objective function and constraints. These gradients may have previously been obtained by manual differentiation of analysis codes, symbolic manipulators, finite-difference approximations, or existing automatic differentiation (AD) tools such as ADIFOR (Automatic Differentiation in FORTRAN). Each of these methods has certain deficiencies, particularly when applied to complex, coupled analyses with many design variables. Recently, a new AD tool called ADJIFOR (Automatic Adjoint Generation in FORTRAN), based upon ADIFOR, was developed and demonstrated. Whereas ADIFOR implements forward-mode (direct) differentiation throughout an analysis program to obtain exact derivatives via the chain rule of calculus, ADJIFOR implements the reverse-mode counterpart of the chain rule to obtain exact adjoint form derivatives from FORTRAN code. Automatically-generated adjoint versions of the widely-used CFL3D computational fluid dynamics (CFD) code and an algebraic wing grid generation code were obtained with just a few hours processing time using the ADJIFOR tool. The codes were verified for accuracy and were shown to compute the exact gradient of the wing lift-to-drag ratio, with respect to any number of shape parameters, in about the time required for 7 to 20 function evaluations. The codes have now been executed on various computers with typical memory and disk space for problems with up to 129 x 65 x 33 grid points, and for hundreds to thousands of independent variables. These adjoint codes are now used in a gradient-based aerodynamic shape optimization problem for a swept, tapered wing. For each design iteration, the optimization package constructs an approximate, linear optimization problem, based upon the current objective function, constraints, and gradient values. The optimizer subroutines are called within a design loop employing the approximate linear problem until an optimum shape is found, the design loop limit is reached, or no further design improvement is possible due to active design variable bounds and/or constraints. The resulting shape parameters are then used by the grid generation code to define a new wing surface and computational grid. The lift-to-drag ratio and its gradient are computed for the new design by the automatically-generated adjoint codes. Several optimization iterations may be required to find an optimum wing shape. Results from two sample cases will be discussed. The reader should note that this work primarily represents a demonstration of use of automatically- generated adjoint code within an aerodynamic shape optimization. As such, little significance is placed upon the actual optimization results, relative to the method for obtaining the results.

Green, Lawrence↗
DOE OSTI2022

Composing preconditioners for multiphysics PDE systems with applications to Generalized MHD

New patch smoothers or relaxation techniques are developed for solving linear matrix equations coming from systems of discretized partial differential equations (PDEs). One key linear solver challenge for many PDE systems arises when the resulting discretization matrix has a near null space that has a large dimension, which can occur in generalized magnetohydrodynamic (GMHD) systems. Patch-based relaxation is highly effective for problems when the null space can be spanned by a basis of locally supported vectors. The patch-based relaxation methods that we develop can be used either within an algebraic multigrid (AMG) hierarchy or as stand-alone preconditioners. These patch-based relaxation techniques are a form of well-known overlapping Schwarz methods where the computational domain is covered with a series of overlapping sub-domains (or patches). Patch relaxation then corresponds to solving a set of independent linear systems associated with each patch. In the context of GMHD, we also reformulate the underlying discrete representation used to generate a suitable set of matrix equations. In general, deriving a discretization that accurately approximates the curl operator and the Hall term while also producing linear systems with physically meaningful near null space properties can be challenging. Unfortunately, many natural discretization choices lead to a near null space that includes non-physical oscillatory modes and where it is not possible to span the near null space with a minimal set of locally supported basis vectors. Further discretization research is needed to understand the resulting trade-offs between accuracy, stability, and ease in solving the associated linear systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Loop-by-loop differential equations for dual (elliptic) Feynman integrals

We present a loop-by-loop method for computing the differential equations of Feynman integrals using the recently developed dual form formalism. We give explicit prescriptions for the loop-by-loop fibration of multi-loop dual forms. Then, we test our formalism on a simple, but non-trivial, example: the two-loop three-mass elliptic sunrise family of integrals. We obtain an ε-form differential equation within the correct function space in a sequence of relatively simple algebraic steps. In particular, none of these steps relies on the analysis of q-series. Then, we discuss interesting properties satisfied by our dual basis as well as its simple relation to the known ε-form basis of Feynman integrands. The underlying K3-geometry of the three-loop four-mass sunrise integral is also discussed. Finally, we speculate on how to construct a “good” loop-by-loop basis at three-loop.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1972

A non-linear dynamic lumped-parameter model of a rectangular plate.

A lumped-parameter model of a rectangular plate is developed by assuming fundamental mode solutions and using Hamilton's Principle and the Euler equations to set up the differential equation of motion for the system. The plate theory used may be described as the dynamic analogue of the von Karman large-deflection theory. Four sets of symmetrical boundary conditions are considered with the restriction of uniform pressure dynamic loads. The model takes the form of a mass on a cubic-hardening spring with each term defined by algebraic expressions of the plate parameters. The results for some specific problems are compared with two previous solutions. This method is less accurate but simpler to develop and apply.

Bayles, D. J.↗
DOE OSTI2024

A fully implicit, asymptotic-preserving, semi-Lagrangian algorithm for the time dependent anisotropic heat transport equation

In this paper, we extend the operator-split asymptotic-preserving, semi-Lagrangian algorithm for time dependent anisotropic heat transport equation proposed in Chacón et al. (2014) [18] to use a fully implicit time integration with backward differentiation formulas. The proposed implicit method can deal with arbitrary heat-transport anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ $\ggg$ 1 (with $\mathcal{X}$∥, $ \mathcal{X}$⟂ the parallel and perpendicular heat diffusivities, respectively) in complicated magnetic field topologies in an accurate and efficient manner. Further, the implicit algorithm is second-order accurate temporally and demonstrates an accurate treatment at boundary layers (e.g., island separatrices), which was not ensured by the operator-split implementation. The condition number of the resulting algebraic system is independent of the anisotropy ratio, and is inverted with preconditioned GMRES. We propose a simple preconditioner that renders the finite-dimensional linear operator compact, resulting in mesh-independent convergence rates for topologically simple magnetic fields, and convergence rates scaling as ~ (NΔt) 1/4 (with N the total mesh size and Δt the timestep) in topologically complex magnetic-field configurations. We demonstrate the accuracy and performance of the approach with test problems of varying complexity, including an analytically tractable boundary-layer problem in a straight magnetic field, and a topologically complex magnetic field featuring magnetic islands with extreme anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ = 10 10 ) .

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1976

On differential transformations between Cartesian and curvilinear (geodetic) coordinates

Differential transformations are developed between Cartesian and curvilinear orthogonal coordinates. Only matrix algebra is used for the presentation of the basic concepts. After defining the reference systems used the rotation (R), metric (H), and Jacobian (J) matrices of the transformations between cartesian and curvilinear coordinate systems are introduced. A value of R as a function of H and J is presented. Likewise an analytical expression for J(-1) as a function of H(-2) and R is obtained. Emphasis is placed on showing that differential equations are equivalent to conventional similarity transformations. Scaling methods are discussed along with ellipsoidal coordinates. Differential transformations between elipsoidal and geodetic coordinates are established.

Soler, T.↗
DOE OSTI2026

A projection method for particle resampling

Particle discretizations of partial differential equations are advantageous for high-dimensional kinetic models in phase-space due to their better scalability than continuum approaches with respect to dimension. Complex processes collectively referred to as particle noise hamper long time simulations with particle methods. One approach to address this problem is particle mesh adaptivity, or remapping, known as particle resampling and remeshing. Here, this work introduces a resampling method that projects particles to and from a (finite element) function space. The method is simple, using standard sparse linear algebra and finite element techniques, and it preserves all moments up to the order of a polynomial represented exactly by the continuum function space. It is distinguished from most other mesh-based methods in that new particle positions and number are decoupled from the mesh, allowing particle and continuum meshes to be adapted relatively independently. While this work is developed with structured particle and continuum phase-space grids on 1X + 1V Vlasov-Poisson models of Landau damping and two-stream instability, the method is well-suited to unstructured grids. Stable long time dynamics are demonstrated up to time T = 500. Reproducibility artifacts and data are publicly available.

Kinetic methods↗
NASA NTRS1988

A multivariate variational objective analysis-assimilation method. Part 1: Development of the basic model

The variational method of undetermined multipliers is used to derive a multivariate model for objective analysis. The model is intended for the assimilation of 3-D fields of rawinsonde height, temperature and wind, and mean level temperature observed by satellite into a dynamically consistent data set. Relative measurement errors are taken into account. The dynamic equations are the two nonlinear horizontal momentum equations, the hydrostatic equation, and an integrated continuity equation. The model Euler-Lagrange equations are eleven linear and/or nonlinear partial differential and/or algebraic equations. A cyclical solution sequence is described. Other model features include a nonlinear terrain-following vertical coordinate that eliminates truncation error in the pressure gradient terms of the horizontal momentum equations and easily accommodates satellite observed mean layer temperatures in the middle and upper troposphere. A projection of the pressure gradient onto equivalent pressure surfaces removes most of the adverse impacts of the lower coordinate surface on the variational adjustment.

Achtemeier, Gary L.↗
NASA NTRS1984

The cross section for double Compton scattering

Employing elementary methods in nonrelativistic quantum electrodynamics, the cross section for gamma sub 0 + e yields e + gamma + gamma is computed for arbitrary energy in the spectrum of the outgoing photons. The final result is given, differential in the energy of one of these photons, for the case where the incident photon is unpolarized and has energy E sub 0 much less than mc-squared, a polarization sum and angular integration being performed for the final-state photons. The cross section has a simple algebraic form resulting from contributions from the sum of squared direct and exchange amplitudes; interference terms from these amplitudes do not contribute to the angular-integrated cross section.

Gould, R. J.↗
DOE OSTI2024

Solving differential‐algebraic equations in power system dynamic analysis with quantum computing

Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.

computational complexity↗
NASA NTRS1975

Fixed-range optimum trajectories for short-haul aircraft

An algorithm, based on the energy-state method, is derived for calculating optimum trajectories with a range constraint. The basis of the algorithm is the assumption that optimum trajectories consist of, at most, three segments: an increasing energy segment (climb); a constant energy segment (cruise); and a decreasing energy segment (descent). This assumption allows energy to be used as the independent variable in the increasing and decreasing energy segments, thereby eliminating the integration of a separate adjoint differential equation and simplifying the calculus of variations problem to one requiring only pointwise extremization of algebraic functions. The algorithm is used to compute minimum fuel, minimum time, and minimum direct-operating-cost trajectories, with range as a parameter, for an in-service CTOL aircraft and for an advanced STOL aircraft. For the CTOL aircraft and the minimum-fuel performance function, the optimum controls, consisting of air-speed and engine power setting, are continuous functions of the energy in both climb and descent as well as near the maximum or cruise energy. This is also true for the STOL aircraft except in the descent where at one energy level a nearly constant energy dive segment occurs, yielding a discontinuity in the airspeed at that energy. The reason for this segment appears to be the relatively high fuel flow at idle power of the engines used by this STOL aircraft. Use of a simplified trajectory which eliminates the dive increases the fuel consumption of the total descent trajectory by about 10 percent and the time to fly the descent by about 19 percent compared to the optimum.

Erzberger, H.↗
NASA NTRS1985

New results on the PLL false lock phenomenon

Conditions, based on the multipliers of a linear differential equation with periodic coefficients, for the occurrence of false lock in a phase lock loop (PLL) are presented. Two new and powerful algorithms are presented for computing the frequency difference between the reference and voltage controlled oscillator when the loop is false locked. The first algorithm expresses omega f sup -1 as a power series in the closed loop gain. The second algorithm expresses omega sup -1 as part of a solution to a nonlinear algebraic system of equations which can be solved by numerical methods. The power of both algorithms is illustrated by application and comparison.

Stensby, J. L.↗
NASA NTRS1994

On determining the spectrum of primordial inhomogeneity from the COBE DMR sky maps: Method

The natural approach to a spectral analysis of data distributed on the sky employs spherical harmonic decomposition. A common problem encountered in practical astronomy is the lack of full sky coverage in the available data. For example, the removal of the Galactic plane data from the Cosmic Background Explorer (COBE) Differential Microwave Radiometer (DMR) sky maps compromises Fourier analysis of the cosmic microwave background (CMB) temperature distribution due to the loss of orthogonality of the spherical harmonics. An explicit method for constructing orthonormal functions on an incomplete (e.g., Galaxy-cut) sphere is presented. These functions should be used in the proper Fourier analysis of the COBE DMR sky maps to provide the correct input for the determination of the spectrum of primordial inhomogeneity. The results of such an analysis are presented in an accompanying Letter. A similar algebraic construction of appropriate functions can be devised for other astronomical applications.

Gorski, Krzysztof M.↗
DOE OSTI2023

Mathematical solutions in internal dose assessment: A comparison of Python-based differential equation solvers in biokinetic modeling

Abstract In biokinetic modeling systems employed for radiation protection, biological retention and excretion have been modeled as a series of discretized compartments representing the organs and tissues of the human body. Fractional retention and excretion in these organ and tissue systems have been mathematically governed by a series of coupled first-order ordinary differential equations (ODEs). The coupled ODE systems comprising the biokinetic models are usually stiff due to the severe difference between rapid and slow transfers between compartments. In this study, the capabilities of solving a complex coupled system of ODEs for biokinetic modeling were evaluated by comparing different Python programming language solvers and solving methods with the motivation of establishing a framework that enables multi-level analysis. The stability of the solvers was analyzed to select the best performers for solving the biokinetic problems. A Python-based linear algebraic method was also explored to examine how the numerical methods deviated from an analytical or semi-analytical method. Results demonstrated that customized implicit methods resulted in an enhanced stable solution for the inhaled 60 Co (Type M) and 131 I (Type F) exposure scenarios for the inhalation pathway of the International Commission on Radiological Protection (ICRP) Publication 130 Human Respiratory Tract Model (HRTM). The customized implementation of the Python-based implicit solvers resulted in approximately consistent solutions with the Python-based matrix exponential method ( expm ). The differences generally observed between the implicit solvers and expm are attributable to numerical precision and the order of numerical approximation of the numerical solvers. This study provides the first analysis of a list of Python ODE solvers and methods by comparing their usage for solving biokinetic models using the ICRP Publication 130 HRTM and provides a framework for the selection of the most appropriate ODE solvers and methods in Python language to implement for modeling the distribution of internal radioactivity.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Decomposition of Feynman integrals by multivariate intersection numbers

We present a detailed description of the recent idea for a direct decomposition of Feynman integrals onto a basis of master integrals by projections, as well as a direct derivation of the differential equations satisfied by the master integrals, employing multivariate intersection numbers. We discuss a recursive algorithm for the computation of multivariate intersection numbers, and provide three different approaches for a direct decomposition of Feynman integrals, which we dub the straight decomposition, the bottom-up decomposition, and the top-down decomposition. These algorithms exploit the unitarity structure of Feynman integrals by computing intersection numbers supported on cuts, in various orders, thus showing the synthesis of the intersection-theory concepts with unitarity-based methods and integrand decomposition. We perform explicit computations to exemplify all of these approaches applied to Feynman integrals, paving a way towards potential applications to generic multi-loop integrals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1996

Multigrid Methods for Fully Implicit Oil Reservoir Simulation

In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for two-phase flow problems with strong heterogeneities and anisotropies is studied. Here we consider both possibilities. Moreover we present a novel way for constructing the coarse grid correction operator in linear multigrid algorithms. This approach has the advantage in that it preserves the sparsity pattern of the fine grid matrix and it can be extended to systems of equations in a straightforward manner. We compare the linear and nonlinear multigrid algorithms by means of a numerical experiment.

Molenaar, J.↗