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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improving ADAM through an implicit-explicit (IMEX) time-stepping approach

The ADAM optimizer, often used in machine learning for neural network training, corresponds to an underlying ordinary differential equation (ODE) in the limit of very small learning rates. Here, this work shows that the classical ADAM algorithm is a first-order implicit-explicit (IMEX) Euler discretization of the underlying ODE. Employing the time discretization point of view, we propose new extensions of the ADAM scheme obtained by using higher-order IMEX methods to solve the ODE. Based on this approach, we derive a new optimization algorithm for neural network training that performs better than classical ADAM on several regression and classification problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A framework to evaluate IMEX schemes for atmospheric models

We present a new evaluation framework for implicit and explicit (IMEX) Runge–Kutta time-stepping schemes. The new framework uses a linearized nonhydrostatic system of normal modes. We utilize the framework to investigate the stability of IMEX methods and their dispersion and dissipation of gravity, Rossby, and acoustic waves. We test the new framework on a variety of IMEX schemes and use it to develop and analyze a set of second-order low-storage IMEX Runge–Kutta methods with a high Courant–Friedrichs–Lewy (CFL) number. We show that the new framework is more selective than the 2-D acoustic system previously used in the literature. Schemes that are stable for the 2-D acoustic system are not stable for the system of normal modes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Preliminary study of a wall stabilized constructed arc

An iterative, implicit, finite-difference numerical technique is described which is suitable for obtaining solutions to the governing equations for a gas flowing in an axially symmetric constricted-arc heater. The method is shown to provide adequate solutions for three cases of simple pipe flows found in the literature, and for flow in a constricted-arc heater by direct comparison with experimental data. The comparison with arc-heater data includes static pressure, arc voltage, and wall heat flux, all as a function of axial location, and a radial temperature profile at one axial station. The arc-heater data were taken with air as the test gas at a heater inlet pressure approximately 0.40 atm and two flow rates of 2.2 and 4.8 g/sec. The arc currents investigated were between 377 and 584 amperes.

Graves, R. A.↗
NASA NTRS1983

Numerical simulation of electrothermal de-icing systems

Transient simulations of de-icing of composite aircraft components by electrothermal heating have been computed for both one and two-dimensional rectangular geometries. The implicit Crank-Nicolson formulation is used to insure stability of the finite-differenced heat conduction equations and the phase change in the ice layer is simulated using the Enthalpy method. Numerical solutions illustrating de-icer performance for various composite aircraft blades and environmental conditions are presented. Comparisons are made with previous studies and with available experimental data. Initial results using a coordinate mapping technique to describe the actual blade geometry are discussed.

De Witt, K. J.↗
NASA NTRS1983

Numerical simulation of two-dimensional heat transfer in composite bodies with application to de-icing of aircraft components

Transient, numerical simulations of the de-icing of composite aircraft components by electrothermal heating were performed for a two dimensional rectangular geometry. The implicit Crank-Nicolson formulation was used to insure stability of the finite-difference heat conduction equations and the phase change in the ice layer was simulated using the Enthalpy method. The Gauss-Seidel point iterative method was used to solve the system of difference equations. Numerical solutions illustrating de-icer performance for various composite aircraft structures and environmental conditions are presented. Comparisons are made with previous studies. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

Chao, D. F. K.↗
NASA NTRS1989

Low-frequency sound propagation modeling over a locally-reacting boundary using the parabolic approximation

There is substantial interest in the analytical and numerical modeling of low-frequency, long-range atmospheric acoustic propagation. Ray-based models, because of frequency limitations, do not always give an adequate prediction of quantities such as sound pressure or intensity levels. However, the parabolic approximation method, widely used in ocean acoustics, and often more accurate than ray models for lower frequencies of interest, can be applied to acoustic propagation in the atmosphere. Modifications of an existing implicit finite-difference implementation for computing solutions to the parabolic approximation are discussed. A locally-reacting boundary is used together with a one-parameter impedance model. Intensity calculations are performed for a number of flow resistivity values in both quiescent and windy atmospheres. Variations in the value of this parameter are shown to have substantial effects on the spatial variation of the acoustic signal.

Robertson, J. S.↗
NASA NTRS1992

Active control of asymmetric vortical flows around cones using injection and heating

The effectiveness of certain active-control methods for asymmetric flows around circular cones is investigated by using computational solution of the unsteady, compressible full Navier-Stokes equations. Two main methods of active control which include flow injection and surface heating are used. For the flow-injection-control method, flow injection is used either in the normal direction to the surface or in the tangential direction to the surface. For the surface-heating-control method, the temperature of the cone surface is increased. The effectiveness of a hybrid method of flow control which combines normal injection with surface heating has also been studied. The Navier-Stokes equations, subjected to various surface boundary conditions, are solved by using an implicit, upwind, flux-difference splitting, finite-volume scheme for locally-conical flow solutions.

Kandil, Osama A.↗
NASA NTRS1995

The coupling of fluids, dynamics, and controls on advanced architecture computers

This grant provided for the demonstration of coupled controls, body dynamics, and fluids computations in a workstation cluster environment; and an investigation of the impact of peer-peer communication on flow solver performance and robustness. The findings of these investigations were documented in the conference articles.The attached publication, 'Towards Distributed Fluids/Controls Simulations', documents the solution and scaling of the coupled Navier-Stokes, Euler rigid-body dynamics, and state feedback control equations for a two-dimensional canard-wing. The poor scaling shown was due to serialized grid connectivity computation and Ethernet bandwidth limits. The scaling of a peer-to-peer communication flow code on an IBM SP-2 was also shown. The scaling of the code on the switched fabric-linked nodes was good, with a 2.4 percent loss due to communication of intergrid boundary point information. The code performance on 30 worker nodes was 1.7 (mu)s/point/iteration, or a factor of three over a Cray C-90 head. The attached paper, 'Nonlinear Fluid Computations in a Distributed Environment', documents the effect of several computational rate enhancing methods on convergence. For the cases shown, the highest throughput was achieved using boundary updates at each step, with the manager process performing communication tasks only. Constrained domain decomposition of the implicit fluid equations did not degrade the convergence rate or final solution. The scaling of a coupled body/fluid dynamics problem on an Ethernet-linked cluster was also shown.

Atwood, Christopher↗
NASA NTRS1994

Design of 3-D Nacelle near Flat-Plate Wing Using Multiblock Sensitivity Analysis (ADOS)

One of the major design tasks involved in reducing aircraft drag is the integration of the engine nacelles and airframe. With this impetus, nacelle shapes with and without the presence of a flat-plate wing nearby were optimized. This also served as a demonstration of the 3-D version of the recently developed aerodynamic design optimization methodology using sensitivity analysis, ADOS. The required flow analyses were obtained by solving the three-dimensional, compressible, thin-layer Navier-Stokes equations using an implicit, upwind-biased, finite volume scheme. The sensitivity analyses were performed using the preconditioned version of the SADD scheme (sensitivity analysis on domain decomposition). In addition to demonstrating the present method's capability for automatic optimization, the results offered some insight into two important issues related to optimizing the shapes of multicomponent configurations in close proximity. First, inclusion of the mutual interference between the components resulted in a different shape as opposed to shaping an isolated component. Secondly, exclusion of the viscous effects compromised not only the flow physics but also the optimized shapes even for isolated components.

Eleshaky, Mohamed E.↗
DOE OSTI2016

A rank-exploiting infinite Arnoldi algorithm for nonlinear eigenvalue problems

We consider the nonlinear eigenvalue problem M ( λ ) x = 0, where M ( λ ) is a large parameter-dependent matrix. In several applications, M ( λ ) has a structure where the higher-order terms of its Taylor expansion have a particular low-rank structure. We propose a new Arnoldi-based algorithm that can exploit this structure. More precisely, the proposed algorithm is equivalent to Arnoldi's method applied to an operator whose reciprocal eigenvalues are solutions to the nonlinear eigenvalue problem. The iterates in the algorithm are functions represented in a particular structured vector-valued polynomial basis similar to the construction in the infinite Arnoldi method [Jarlebring, Michiels, and Meerbergen, Numer. Math., 122 (2012), pp. 169–195]. In this paper, the low-rank structure is exploited by applying an additional operator and by using a more compact representation of the functions. This reduces the computational cost associated with orthogonalization, as well as the required memory resources. The structure exploitation also provides a natural way in carrying out implicit restarting and locking without the need to impose structure in every restart. In conclusion, the efficiency and properties of the algorithm are illustrated with two large-scale problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Evaluation of a research circulation control airfoil using Navier-Stokes methods

The compressible Reynolds time averaged Navier-Stokes equations were used to obtain solutions for flows about a two dimensional circulation control airfoil. The governing equations were written in conservation form for a body-fitted coordinate system and solved using an Alternating Direction Implicit (ADI) procedure. A modified algebraic eddy viscosity model was used to define the turbulent characteristics of the flow, including the wall jet flow over the Coanda surface at the trailing edge. Numerical results are compared to experimental data obtained for a research circulation control airfoil geometry. Excellent agreement with the experimental results was obtained.

Shrewsbury, George D.↗
DOE OSTI2021

Analysis of a New Implicit Solver for a Semiconductor Model

Here, we present and analyze a new iterative solver for implicit discretizations of a simplified Boltzmann--Poisson system. The algorithm builds on recent work that incorporated a sweeping algorithm for the Vlasov--Poisson equations as part of nested inner-outer iterative solvers for the Boltzmann--Poisson equations. The new method eliminates the need for nesting and requires only one transport sweep per iteration. It arises as a new fixed-point formulation of the discretized system which we prove to be contractive for a given electric potential. We also derive an accelerator to improve the convergence rate for systems in the drift-diffusion regime. We numerically compare the efficiency of the new solver, with and without acceleration, against a recently developed nested iterative solver.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Numerical Experiment with Time and Spatial Accuracy of Navier-Stokes Computation For Helicopter Problems

Helicopter flowfields are highly unsteady, nonlinear and three-dimensional. In forward flight and in hover, the rotor blades interact with the tip vortex and wake sheet developed by either itself or the other blades. This interaction, known as blade-vortex interactions (BVI), results in unsteady loading of the blades and can cause a distinctive acoustic signature. Accurate and cost-effective computational fluid dynamic solutions that capture blade-vortex interactions can help rotor designers and engineers to predict rotor performance and to develop designs for low acoustic signature. Such a predictive method must preserve a blade's shed vortex for several blade revolutions before being dissipated. A number of researchers have explored the requirements for this task. This paper will outline some new capabilities that have been added to the NASA Ames' OVERFLOW code to improve its overall accuracy for both vortex capturing and unsteady flows. To highlight these improvements, a number of case studies will be presented. These case studies consist of free convection of a 2-dimensional vortex, dynamically pitching 2-D airfoil including light-stall, and a full 3-D unsteady viscous solution of a helicopter rotor in forward flight In this study both central and upwind difference schemes are modified to be more accurate. Central difference scheme is chosen for this simulation because the flowfield is not dominated by strong shocks. The feature of shock-vortex interaction in such a flow is less important than the dominant blade-vortex interaction. The scheme is second-order accurate in time and solves the thin-layer Navier-Stokes equations in fully-implicit manner at each time-step. The spatial accuracy is either second and fourth-order central difference or third-order upwind difference using Roe-flux and MUSCLE scheme. This paper will highlight and demonstrate the methods for several sample cases and for a helicopter rotor. Preliminary computations on a rotor were performed by using this method and are in the process of documentation.

Ahmad, Jasim↗
DOE OSTI2025

Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/Vis Absorption Energy Prediction

Time-dependent density functional theory (TDDFT) combined with range-separated hybrid (RSH) functionals and a tuned range-separation parameter γ offers a computationally economical approach for high-throughput excited- state property predictions. The γ-tuning procedure in the gas phase is well established. However, no agreement on the best γ- tuning procedure has been made when considering the solvent effect with implicit solvent models like the polarizable continuum model (PCM). To answer that question, this study created a diverse dataset with 937 molecules with experimental solutionphase UV/vis absorption spectra. Three γ-tuning methods, the gasphase γ-tuning (GPγT), the partial vertical γ-tuning (PVγT), and the strict vertical γ-tuning (SVγT), were evaluated for the ωPBEh functional over the entire dataset. Additional benchmarks are done for the optimally tuned screened range-separated hybrid combined with the PCM approach (SRSH-PCM) and the solvation-mediated tuning procedure (sol-med-OT). Our findings revealed that the optimal γ-values obtained by the PVγT and the SVγT are significantly smaller than the GPγT. This trend holds consistently across all molecules in our dataset, and we explained the origin of this phenomenon. TDDFT calculations with PVγTand SVγT-tuned γ-values and default global Fock exchange fraction achieve superior performance compared to those using GPγTtuned or default γ and slightly outperform SRSH-PCM and sol-med-OT with similar or lesser computational cost. Furthermore, we found that the smaller γ-values from SVγT captured the expected 1/(εR) asymptotic behavior in the solution phase, resulting in accurate prediction of solution-phase CT excitations, consistent with the screened asymptote behavior encoded in SRSH-PCM. These results show that SVγT is the best scheme for high-throughput UV/vis absorption spectrum calculations using the ωPBEh functional from a data-driven perspective.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of slip on vortex shedding from a circular cylinder in a gas flow

Most studies of vortex shedding from a circular cylinder in a gas flow have explicitly or implicitly assumed that the no-slip condition applies on the cylinder surface. To investigate the effect of slip, vortex shedding is simulated using molecular gas dynamics (the direct simulation Monte Carlo method) and computational fluid dynamics (the incompressible Navier-Stokes equations with a slip boundary condition). A Reynolds number of 100, a Mach number of 0.3, and a corresponding Knudsen number of 0.0048 are examined. For these conditions, compressibility effects are small, and periodic laminar vortex shedding is obtained. Slip on the cylinder is varied using combinations of diffuse and specular molecular reflections with accommodation coefficients from zero (maximum slip) to unity (minimum slip). Although unrealistic, bounce-back molecular reflections are also examined because they approximate the no-slip boundary condition (zero slip). The results from both methods are in reasonable agreement. The shedding frequency increases slightly as the accommodation coefficient is decreased, and shedding ceases at low accommodation coefficients (large slip). The streamwise and transverse forces decrease as the accommodation coefficient is decreased. Based on the good agreement between the two methods, computational fluid dynamics is used to determine the critical accommodation coefficient below which vortex shedding ceases for Reynolds numbers of 60–100 at a Mach number of 0.3. Finally, conditions to observe the effect of slip on vortex shedding appear to be experimentally realizable, although challenging.

42 ENGINEERING↗
DOE OSTI2024

A Fast Algebraic Multigrid Solver and Accurate Discretization for Highly Anisotropic Heat Flux I: Open Field Lines

We present a novel solver technique for the anisotropic heat flux equation, aimed at the high level of anisotropy seen in magnetic confinement fusion plasmas. Such problems pose two major challenges: (i) discretization accuracy and (ii) efficient implicit linear solvers. We simultaneously address each of these challenges by constructing a new finite element discretization with excellent accuracy properties, tailored to a novel solver approach based on algebraic multigrid (AMG) methods designed for advective operators. We pose the problem in a mixed formulation, introducing the directional temperature gradient as an auxiliary variable. The temperature and auxiliary fields are discretized in a scalar discontinuous Galerkin space with upwinding principles used for discretizations of advection. We demonstrate the proposed discretization’s superior accuracy over other discretizations of anisotropic heat flux, achieving error 1000x smaller for anisotropy ratio of 10 9 , for closed field lines. The block matrix system is reordered and solved in an approach where the two advection operators are inverted using AMG solvers based on approximate ideal restriction, which is particularly efficient for upwind discontinuous Galerkin discretizations of advection. To ensure that the advection operators are nonsingular, in this paper we restrict ourselves to considering open (acyclic) magnetic field lines for the linear solvers. We demonstrate fast convergence of the proposed iterative solver in highly anisotropic regimes where other diffusion-based AMG methods fail.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Newton solution of inviscid and viscous problems

The application of Newton iteration to inviscid and viscous airfoil calculations is examined. Spatial discretization is performed using upwind differences with split fluxes. The system of linear equations which arises as a result of linearization in time is solved directly using either a banded matrix solver or a sparse matrix solver. In the latter case, the solver is used in conjunction with the nested dissection strategy, whose implementation for airfoil calculations is discussed. The boundary conditions are also implemented in a fully implicit manner, thus yielding quadratic convergence. Complexities such as the ordering of cell nodes and the use of a far field vortex to correct freestream for a lifting airfoil are addressed. Various methods to accelerate convergence and improve computational efficiency while using Newton iteration are discussed. Results are presented for inviscid, transonic nonlifting and lifting airfoils and also for laminar viscous cases.

Venkatakrishnan, V.↗
NASA NTRS1990

Applicability and evaluation of an implicit self-starting unconditionally stable methodology for the dynamics of structures

The applicability and evaluation of a new self-starting, unconditionally stable, implicit methodology of computation for the dynamics of structures is described. The methodology offers different perspectives and architecture for structural dynamics compared with the traditional (widely advocated and commonly used) time integration methods. It is based on velocity representations and architecture and uses finite elements as the principal analysis tool for structural dynamic modeling/analysis. In particular, the dynamics of beam-type flexural models are considered, and comparative results validate and support the proposed use of the self-starting methodology of computation for the dynamics of linear/nonlinear structures. The overall effectiveness and elegance strongly support its use in most existing commercial codes.

Tamma, Kumar K.↗