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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 37 records · Page 2

Implementation and (Inverse Modified) Error Analysis for Implicitly Templated ODE-Nets

We focus on learning unknown dynamics from data using ODE-nets templated on implicit numerical initial value problem solvers. First, we perform inverse modified error analysis of the ODE-nets using unrolled implicit schemes for ease of interpretation. It is shown that training an ODE-net using an unrolled implicit scheme returns a close approximation of an inverse modified differential equation (IMDE). In addition, we establish a theoretical basis for hyperparameter selection when training such ODE-nets, whereas current strategies usually treat numerical integration of ODE-nets as a black box. We thus formulate an adaptive algorithm which monitors the level of error and adapts the number of (unrolled) implicit solution iterations during the training process, so that the error of the unrolled approximation is less than the current learning loss. This helps accelerate training while maintaining accuracy. Several numerical experiments are performed to demonstrate the advantages of the proposed algorithm compared to nonadaptive unrollings and validate the theoretical analysis. Here, we also note that this approach naturally allows for incorporating partially known physical terms in the equations, giving rise to what is termed “gray box” identification.

ODE-nets↗

Finite element algorithms for compressible flow computation on a supercomputer

Methods of applying computational fluid dynamics techniques to engineering problems are discussed. The linking factors between theoretical and applied research are the shape and weight functions which produce the Galerkin finite element schemes. The flow is unsteady, viscous, heat conducting and compressible, and steady-state flows are the asymptotic limit of unsteady flows. All flows are described by the time-averaged Navier-Stokes equations (NSE) with mass and energy conservation. Local curvilinear intrinsic coordinates are applied to discretize the NSE in arbitrary geometric domains. A modified weighted residuals approach defines the discrete analogs of the physical systems modeled and a general interpolants method is used to derive families of numerical models, both implicit and explicit, finite difference and finite elemnt, from a single point of departure. Time-dependent element approximations are achieved with a progressive assembly of generalized elements method. Hyperbolic steady-state Euler algorithms and quasi-parabolic are spatial marching algorithms for solving the discretized equations. Application of the techniques is illustrated through calculation of the compressible flow around a hypersonic flight vehicle at 100,000 ft at zero angle of attack at speeds of Mach 4-10.

Spradley, L. W.↗

PruningAMR

PruningAMR is an algorithm that reads in data stored as a neural network and outputs an adaptive mesh with values of the neural network stored at its vertices. Examples of input data include implicit neural representations (INRs) and physics-informed neural networks (PINNs). The output mesh is a grid-based adaptive mesh with larger elements for regions in which the neural network has coarse-scale variation and smaller elements for regions with fine scale variation. The goal of the software is to discretize the neural network to a mesh that faithfully captures the details encoded in the data without resorting a fine scale mesh.

Zvonek, JenniferE [Lawrence Livermore National Lab↗

An analysis of errors in special sensor microwave imager evaporation estimates over the global oceans

The method proposed by Liu (1984) is used to estimate monthly averaged evaporation over the global oceans from 1 yr of special sensor microwave imager (SDSM/I) data. Intercomparisons involving SSM/I and in situ data are made over a wide range of oceanic conditions during August 1987 and February 1988 to determine the source of errors in the evaporation estimates. The most significant spatially coherent evaporation errors are found to come from estimates of near-surface specific humidity, q. Systematic discrepancies of over 2 g/kg are found in the tropics, as well as in the middle and high latitudes. The q errors are partitioned into contributions from the parameterization of q in terms of the columnar water vapor, i.e., the Liu q/W relationship, and from the retrieval algorithm for W. The effects of W retrieval errors are found to be smaller over most of the global oceans and due primarily to the implicitly assumed vertical structures of temperature and specific humidity on which the physically based SSM/I retrievals of W are based.

Esbensen, S. K.↗

NUMERICAL MODELING OF A SOLID OXIDE FUEL CELL FOR USE IN REAL-TIME SIMULATION AND CYBER-PHYSICAL SYSTEMS

Cyber-physical systems provide a mechanism with which to investigate the physical phenomena and behavior of traditionally cost-prohibitive or otherwise fragile equipment. For the National Energy Technology Laboratory (NETL), this approach resulted in the Hybrid Performance (Hyper) facility which features a gas turbine-SOFC hybrid cycle utilizing real turbomachinery and a simulated SOFC stack. This allows for the investigation of combined cycle performance and control strategies, in an exhaustive manner, both without fear of destroying delicate state-of-the-art fuel cells, and with the full accuracy of real-world turbomachinery. Issues arose between the transient response of the SOFC model being limited to a sample time of 80 milliseconds, due to the calculation time of the SOFC model taking on average 40 milliseconds to calculate for a given timestep with spikes in calculation time reaching the 80 millisecond threshold. In order to be able to match the speed of transients from the turbomachinery and likewise better discern transient behavior, it was determined that the SOFC model must be optimized to operate at a sample time of 5 milliseconds. Therefore, it is necessary to optimize the SOFC model in order to decrease the calculation time from around 40 milliseconds, down to at the most 5 milliseconds. To do this, both the electrochemical algorithm and the thermal algorithm used to simulate the physical behavior of the SOFC are investigated to determine where improvements can be made. To this end the rootfinding numerical recipes of the electrochemical algorithm are investigated as the complex electrochemistry requires a highly iterative nested dual convergence loop to resolve the voltage-current relationship, and likewise the temporal discretization of the thermal algorithm is modified for the sake of higher accuracy and stability. Ultimately the new electrochemical algorithm featuring higher order rootfinding schemes proves to be efficient enough to reach the sub 5 millisecond target, signifying an order of magnitude reduction in calculation time, and when coupled with the new temporal discretization similar calculation time characteristics show that a fully implicit, higher order temporal discretization can also successfully be used if desired. Ultimately this result means that the cyber-physical simulation system can operate at higher sample rates, and resolve transient events at significantly higher resolution and fidelity.

Arias, Jesus↗

Viscous compressible flow direct and inverse computation and illustrations

An algorithm for laminar and turbulent viscous compressible two dimensional flows is presented. For the application of precise boundary conditions over an arbitrary body surface, a body-fitted coordinate system is used in the physical plane. A thin-layer approximation of tne Navier-Stokes equations is introduced to keep the viscous terms relatively simple. The flow field computation is performed in the transformed plane. A factorized, implicit scheme is used to facilitate the computation. Sample calculations, for Couette flow, developing pipe flow, an isolated airflow, two dimensional compressor cascade flow, and segmental compressor blade design are presented. To a certain extent, the effective use of the direct solver depends on the user's skill in setting up the gridwork, the time step size and the choice of the artificial viscosity. The design feature of the algorithm, an iterative scheme to correct geometry for a specified surface pressure distribution, works well for subsonic flows. A more elaborate correction scheme is required in treating transonic flows where local shock waves may be involved.

Yang, T. T.↗

Computation of incompressible viscous flows through artificial heart devices with moving boundaries

The extension of computational fluid dynamics techniques to artificial heart flow simulations is illustrated. Unsteady incompressible Navier-Stokes equations written in 3-D generalized curvilinear coordinates are solved iteratively at each physical time step until the incompressibility condition is satisfied. The solution method is based on the pseudo compressibility approach and uses an implicit upwind differencing scheme together with the Gauss-Seidel line relaxation method. The efficiency and robustness of the time accurate formulation of the algorithm are tested by computing the flow through model geometries. A channel flow with a moving indentation is computed and validated with experimental measurements and other numerical solutions. In order to handle the geometric complexity and the moving boundary problems, a zonal method and an overlapping grid embedding scheme are used, respectively. Steady state solutions for the flow through a tilting disk heart valve was compared against experimental measurements. Good agreement was obtained. The flow computation during the valve opening and closing is carried out to illustrate the moving boundary capability.

Kiris, Cetin↗

Implicit flux-corrected transport scheme for low-speed flow

A new high-order nonlinear Eulerian convection algorithm, the barely implicit correction (BIC)-FCT method, is presented. The BIC-FCT makes it possible to perform accurate, multidimensional, slow-flow calculations in which the fluid expansion is important. Owing to its low cost even in two dimensions, fairly detailed chemistry models and other physical processes can be included. Areas of BIC-FCT applicability include premixed flames, diffusion flames, and turbulent jet flames.

Patnaik, G.↗

Conservation equations and physical models for hypersonic air flows over the aeroassist flight experiment vehicle

The code development and application program for the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA), with emphasis directed toward support of the Aeroassist Flight Experiment (AFE) in the near term and Aeroassisted Space Transfer Vehicle (ASTV) design in the long term is reviewed. LAURA is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3-D, viscous, hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite volume formulation in which the inviscid components of flux across cell walls are described with Roe's averaging and Harten's entropy fix with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. Because of the point-implicit relaxation strategy, the algorithm remains stable at large Courant numbers without the necessity of solving large, block tri-diagonal systems. A single relaxation step depends only on information from nearest neighbors. Predictions for pressure distributions, surface heating, and aerodynamic coefficients compare well with experimental data for Mach 10 flow over an AFE wind tunnel model. Predictions for the hypersonic flow of air in chemical and thermal nonequilibrium over the full scale AFE configuration obtained on a multi-domain grid are discussed.

Gnoffo, Peter A.↗

Towards a generalized computational fluid dynamics technique for all Mach numbers

Currently there exists no single unified approach for efficiently and accurately solving computational fluid dynamics (CFD) problems across the Mach number regime, from truly low speed incompressible flows to hypersonic speeds. There are several CFD codes that have evolved into sophisticated prediction tools with a wide variety of features including multiblock capabilities, generalized chemistry and thermodynamics models among other features. However, as these codes evolve, the demand placed on the end user also increases simply because of the myriad of features that are incorporated into these codes. In order for a user to be able to solve a wide range of problems, several codes may be needed requiring the user to be familiar with the intricacies of each code and their rather complicated input files. Moreover, the cost of training users and maintaining several codes becomes prohibitive. The objective of the current work is to extend the compressible, characteristic-based, thermochemical nonequilibrium Navier-Stokes code GASP to very low speed flows and simultaneously improve convergence at all speeds. Before this work began, the practical speed range of GASP was Mach numbers on the order of 0.1 and higher. In addition, a number of new techniques have been developed for more accurate physical and numerical modeling. The primary focus has been on the development of optimal preconditioning techniques for the Euler and the Navier-Stokes equations with general finite-rate chemistry models and both equilibrium and nonequilibrium thermodynamics models. We began with the work of Van Leer, Lee, and Roe for inviscid, one-dimensional perfect gases and extended their approach to include three-dimensional reacting flows. The basic steps required to accomplish this task were a transformation to stream-aligned coordinates, the formulation of the preconditioning matrix, incorporation into both explicit and implicit temporal integration schemes, and modification of the numerical flux formulae. In addition, we improved the convergence rate of the implicit time integration schemes in GASP through the use of inner iteration strategies and the use of the GMRES (General Minimized Resisual) which belongs to the class of algorithms referred to as Krylov subspace iteration. Finally, we significantly improved the practical utility of GASP through the addition of mesh sequencing, a technique in which computations begin on a coarse grid and get interpolated onto successively finer grids. The fluid dynamic problems of interest to the propulsion community involve complex flow physics spanning different velocity regimes and possibly involving chemical reactions. This class of problems results in widely disparate time scales causing numerical stiffness. Even in the absence of chemical reactions, eigenvalue stiffness manifests itself at transonic and very low speed flows which can be quantified by the large condition number of the system and evidenced by slow convergence rates. This results in the need for thorough numerical analysis and subsequent implementation of sophisticated numerical techniques for these difficult yet practical problems. As a result of this work, we have been able to extend the range of applicability of compressible codes to very low speed inviscid flows (M = .001) and reacting flows.

Walters, R. W.↗

A full-implicit-continuous-Eulerian (FICE) scheme for multidimensional transient magnetohydrodynamic (MHD) flows

A full implicit continuous Eulerian (FICE) scheme is developed for solving multidimensional transient MHD flow problems. The physical system under consideration is a general case of a transient MHD flow in which an initial steady state is subject to a finite amplitude disturbance. The governing equations are described, their finite difference formulation is presented and the FICE algorithm is given. The boundary conditions are treated by classifying them into physical and computational ones. The usefulness of the FICE algorithm is demonstrated using a physical example concerning the dynamical response of the static solar atmosphere due to a representative photospheric disturbance.

Wu, S. T.↗

Implicit hybrid schemes for the flux-difference split, three-dimensional Navier-Stokes equations

Implicit hybrid algorithms employing symmetric planar Gauss-Seidel (SPGS) relaxation and either block-tridiagonally structured coefficient matrices (AF-SPGS) or block-triangular coefficient matrices (LU-SPGS) are derived to solve the flux-difference-split Navier-Stokes equations for three-dimensional incompressible flow in an upwind scheme. The physical basis of the approach is discussed, and results for problems involving vortex flow around a thin delta wing at Reynolds numbers 900,000 and 10,000 are presented graphically. It is found that AF-SPGS converges faster on vector computers which depend on long vector lengths to achieve optimum performance, whereas LU-SPGS is preferable on sequentially operating machines and vector computers using shorter vector lengths.

Hartwich, P.-M.↗

Intrepid MCMC: Metropolis-Hastings with exploration

In engineering examples, one often encounters the need to sample from unnormalized distributions with complex shapes that may also be implicitly defined through a physical or numerical simulation model, making it computationally expensive to evaluate the associated density function. For such cases, MCMC has proven to be an invaluable tool. Random-walk Metropolis Methods (also known as Metropolis-Hastings (MH)), in particular, are highly popular for their simplicity, flexibility, and ease of implementation. However, most MH algorithms suffer from significant limitations when attempting to sample from distributions with multiple modes (particularly disconnected ones). Here, in this paper, we present Intrepid MCMC - a novel MH scheme that utilizes a simple coordinate transformation to significantly improve the mode-finding ability and convergence rate to the target distribution of random-walk Markov chains while retaining most of the simplicity of the vanilla MH paradigm. Through multiple examples, we showcase the improvement in the performance of Intrepid MCMC over vanilla MH for a wide variety of target distribution shapes. We also provide an analysis of the mixing behavior of the Intrepid Markov chain, as well as the efficiency of our algorithm for increasing dimensions. A thorough discussion is presented on the practical implementation of the Intrepid MCMC algorithm. Finally, its utility is highlighted through a Bayesian parameter inference problem for a two-degree-of-freedom oscillator under free vibration.

97 - MATHEMATICS AND COMPUTING↗

Development of Comprehensive Reduced Kinetic Models for Supersonic Reacting Shear Layer Simulations

Large-scale simulations of multi-dimensional unsteady turbulent reacting flows with detailed chemistry and transport can be computationally extremely intensive even on distributed computing architectures. With the development of suitable reduced chemical kinetic models, the number of scalar variables to be integrated can be decreased, leading to a significant reduction in the computational time required for the simulation with limited loss of accuracy in the results. A general MATLAB-based automated mechanism reduction procedure is presented to reduce any complex starting mechanism (detailed or skeletal) with minimal human intervention. Based on the application of the quasi steady-state (QSS) approximation for certain chemical species and on the elimination of the fast reaction rates in the mechanism, several comprehensive reduced models, capable of handling different fuels such as C2H4, CH4 and H2, have been developed and thoroughly tested for several combustion problems (ignition, propagation and extinction) and physical conditions (reactant compositions, temperatures, and pressures). A key feature of the present reduction procedure is the explicit solution of the concentrations of the QSS species, needed for the evaluation of the elementary reaction rates. In contrast, previous approaches relied on an implicit solution due to the strong coupling between QSS species, requiring computationally expensive inner iterations. A novel algorithm, based on the definition of a QSS species coupling matrix, is presented to (i) introduce appropriate truncations to the QSS algebraic relations and (ii) identify the optimal sequence for the explicit solution of the concentration of the QSS species. With the automatic generation of the relevant source code, the resulting reduced models can be readily implemented into numerical codes.

Zambon, A. C.↗

Numerical Treatment of Degenerate Diffusion Equations via Feller's Boundary Classification, and Applications

A numerical method is devised to solve a class of linear boundary-value problems for one-dimensional parabolic equations degenerate at the boundaries. Feller theory, which classifies the nature of the boundary points, is used to decide whether boundary conditions are needed to ensure uniqueness, and, if so, which ones they are. The algorithm is based on a suitable preconditioned implicit finite-difference scheme, grid, and treatment of the boundary data. Second-order accuracy, unconditional stability, and unconditional convergence of solutions of the finite-difference scheme to a constant as the time-step index tends to infinity are further properties of the method. Several examples, pertaining to financial mathematics, physics, and genetics, are presented for the purpose of illustration.

Cacio, Emanuela↗

Application of a full potential method for computation of three-dimensional supersonic flows

A nonlinear aerodynamic analysis technique based on the full potential equation in conservative form has been modified to permit treatment of supersonic flows with embedded subsonic regions (typically near the fuselage-canopy juncture and the wing leading edge). Solution procedures for the equations do not require any specific form of geometry or physical grid system. This results in the capability to analyze easily very complex geometries provided the posed problem lies within the isentropic restrictions of the full potential theory. Characteristic signal propagation theory is used to monitor the type dependent flow and a conservative switching scheme is employed to transition from the supersonic marching algorithm to a subsonic relaxation procedure and vice versa. An implicit approximate factorization scheme is used to solve the finite-difference equations. These modifications now permit analysis of fully three-dimensional flowfields including the interference effects due to lifting surface wakes. Improved grid generation capability allows analysis of complete complex aircraft geometries (fuselage, wing, tail, wing wake, and tail wake). Results are presented showing very good correlations with experimental surface pressure data and aerodynamic force data at both design and off-design operating points. Configurations examined include several waverider concepts, an arrow wing-body with wake, an advanced tactical fighter concept, and a fighter forebody-canard configuration.

Jones, K. M.↗

Time-marching methods for three-dimensional steady and unsteady viscous imcompressible flows

An implicit algorithm for the solution of three-dimensional, steady and unsteady, viscous, incompressible flows is presented. The algorithm is based on an upwind-relaxation finite-difference method. Steady-state solutions are carried out using a time-marching solution technique in combination with a local time-stepping strategy. To obtain time-accurate solutions, a subiterative procedure is employed at each physical time step using a global time step to ensure the divergence-free condition. Steady-state flows in several straight ducts and in a square duct with a 90-degree bend are computed and compared with analytical and experimental results. The classical problem of starting flow in a circular pipe is chosen to verify the time accuracy of the present scheme. Finally, the three-dimensional bubble-type vortex breakdown of a slender cylindrical vortex in an unbounded flow is investigated.

Hsu, C.-H.↗

Planar Collisionless Shock Simulations with the Semi-implicit Particle-in-cell Model FLEKS

This study investigates the applicability of the semi-implicit particle-in-cell code FLexible Exascale Kinetic Simulator (FLEKS) to heliospheric shock simulations. We examine one- and two-dimensional local planar shock simulations, initialized using MHD states with upstream conditions representative of plasmas in the hypersonic, β ∼ 1 regime, for both quasi-perpendicular and quasi-parallel configurations. The refined algorithm in FLEKS proves robust, enabling accurate shock simulations with a grid resolution on the order of the electron inertial length d e . Our simulations successfully capture key shock features, including shock structures (foot, ramp, overshoot, and undershoot), upstream and downstream waves (fast magnetosonic, whistler, Alfvén ion-cyclotron, and mirror modes), and non-Maxwellian particle distributions. Crucially, we find that at least two spatial dimensions are critical for accurately reproducing downstream-wave physics in quasi-perpendicular shocks and capturing the complex dynamics of quasi-parallel shocks, including surface rippling, shocklets, short, large-amplitude magnetic structures, magnetic reconnection, and jets. Furthermore, our parameter studies demonstrate the impact of mass ratio and grid resolution on shock physics. This work provides valuable guidance for selecting appropriate physical and numerical parameters for shock simulations using a semi-implicit PIC method, paving the way for incorporating kinetic shock processes into large-scale collisionless plasma simulations with the MHD-AEPIC model.

plasma astrophysics↗