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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Data-parallel lower-upper relaxation method for reacting flows

The implicit lower-upper symmetric Gauss-Seidel (LU-SGS) method of Yoon and Jameson is modified for use on massively parallel computers. The method has been implemented on the Thinking Machines CM-5 and the MasPar MP-1 and MP-2, where large percentages of the theoretical peak floating point performance are obtained. It is shown that the new data-parallel LU relaxation method has better convergence properties than the original method for two different inviscid compressible flow simulations. The convergence is also improved for five-species reacting air computations. The performance of the method on various partitions of the CM-5 and on the MasPar computers is discussed. The new method shows promise for the efficient simulation of very large perfect gas and reacting flows.

Candler, Graham V.↗
NASA NTRS2014

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Nielsen, Tanner B.↗
DOE OSTI2025

Realizability-preserving discontinuous Galerkin method for spectral two-moment radiation transport in special relativity

Here we present a realizability-preserving numerical method for solving a spectral two-moment model to simulate the transport of massless, neutral particles interacting with a steady background material moving with relativistic velocities. The model is obtained as the special relativistic limit of a four-momentum-conservative general relativistic two-moment model. Using a maximum-entropy closure, we solve for the Eulerian-frame energy and momentum. The proposed numerical method is designed to preserve moment realizability, which corresponds to moments defined by a nonnegative phase-space density. The realizability-preserving method is achieved with the following key components: (i) a discontinuous Galerkin phase-space discretization with specially constructed numerical fluxes in the spatial and energy dimensions; (ii) a strong stability-preserving implicit-explicit time-integration method; (iii) a realizability-preserving conserved to primitive moment solver; (iv) a realizability-preserving implicit collision solver; and (v) a realizability-enforcing limiter. Component (iii) is necessitated by the closure procedure, which closes higher order moments nonlinearly in terms of primitive moments. The nonlinear conserved to primitive and the implicit collision solves are formulated as fixed-point problems, which are solved with custom iterative solvers designed to preserve the realizability of each iterate. With a series of numerical tests, we demonstrate the accuracy and robustness of this discontinuous-Galerkin-implicit-explicit method.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Three-dimensional fully spectral numerical method for mantle convection with depth-dependent properties

A semi-implicit fully spectral collocation method for the simulation of three-dimensional mantle convection with depth-dependent thermo-dynamic and transport properties is presented. The variable property Navier-Stokes equation expressed in terms of the primitive variable velocity and pressure is solved with the mass continuity and temperature equations. The periodic horizontal boundary conditions allow a Fourier expansion for the two horizontal directions. The stress-free, impermeable isothermal boundary conditions along with the depth dependent coefficients are handled with a Chebyshev expansion in the vertical direction. In the limit of an infinite Prandtl number appropriate to mantle convection, the inertial terms in the momentum equation are unimportant. In this case an explicit solution of a Poisson equation for pressure can be avoided; instead a fourth-order equation for vertical velocity can be solved. Simultaneous imposition of both impermeable and continuity boundary conditions during the vertical velocity evaluation is discussed. The pressure distributions on the top and bottom bounding planes were determined by means of an influence matrix technique. The numerical method employed here avoids time-splitting errors and enforces velocity boundary conditions and continuity over the entire domain, including the boundaries, to machine accuracy. Strongly time-dependent three-dimensional solutions up to a surface Rayleigh number of 1 x 10(exp 7) have been obtained. Strong upwellings, pulsating chaotically, are formed by the collective merging of cylindrical plumes.

Balachandar, S.↗
NASA NTRS1975

Numerical computation of viscous flows on the lee side of blunt shapes flying at supersonic speeds

A numerical method for solving the parabolic approximation to the steady-state compressible Navier-Stokes equations is examined. The approximation neglects only the streamwise gradients of shear stress. An implicit finite difference method is used which advances the solution downstream from an initial data surface and determines the complete viscous-inviscid flow between the body and bow shock wave. It is necessary that the inviscid portion of the flow field be supersonic. Crossflow separation is determined as part of the solution. The method is applied to a 15 deg sphere-cone at 15 deg angle of attack, and the results are compared with an inviscid method-of-characteristics calculation.

Rakich, J. V.↗
NASA NTRS1988

Application of unsteady aerodynamic methods for transonic aeroelastic analysis

Aerodynamic methods for aeroelastic analysis are applied to various flow problems. These methods include those that solve the three dimensional transonic small disturbance (TSD) potential equation, the two dimensional (2-D) full potential (FP) equation, and the 2-D thin layer Navier-Stokes equations. Flutter analysis performed using TSD aerodynamics show that such methods can be used to analyze some aeroelastic phenomena. For thicker bodies and larger amplitude motions, a nonisentropic FP method is presented. The unsteady FP equation is modified to model the entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. Pressures calculated on the NLR 7301 and NACA 64A010A airfoils using the nonisentropic FP method are presented. It is shown that modeling shock generated entropy extends the range of validity of the FP method. A Navier-Stokes code is correlated with pressures measured on a supercritical airfoil at transonic speeds. When corrections are made for wind tunnel wall effects, the calculations correlate well with the measured data.

Whitlow, Woodrow, Jr.↗
NASA NTRS1984

Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

Pratt, D. T.↗
NASA NTRS1982

A computer program for the calculation of the flow field including boundary layer effects for mixed-compression inlets at angle of attack

A computer program was developed which is capable of calculating the flow field in the supersonic portion of a mixed compression aircraft inlet operating at angle of attack. The supersonic core flow is computed using a second-order three dimensional method-of-characteristics algorithm. The bow shock and the internal shock train are treated discretely using a three dimensional shock fitting procedure. The boundary layer flows are computed using a second-order implicit finite difference method. The shock wave-boundary layer interaction is computed using an integral formulation. The general structure of the computer program is discussed, and a brief description of each subroutine is given. All program input parameters are defined, and a brief discussion on interpretation of the output is provided. A number of sample cases, complete with data listings, are provided.

Vadyak, J.↗
DOE OSTI2019

A massively-parallel, unstructured overset method to simulate moving bodies in turbulent flows

An unstructured overset method capable of performing direct numerical simulation (DNS) and large eddy simulation (LES) of many (O(10 5 )) moving bodies, utilizing many computational cores (O(10 5 )), in turbulent, incompressible fluid flow is presented. Unstructured meshes are attached to bodies and placed within a fixed background domain. Body meshes are allowed to arbitrarily overlap and move throughout the domain. Within each mesh a high resolution, unstructured, non-dissipative finite volume method is used to solve for the flow field. Boundary conditions for each mesh are provided by interpolation from flow solutions on overlapping meshes. When many unstructured meshes of different resolution overlap, care is required in the connection between the different flow solutions. An interpolant is created which seeks to preserve volume conservation of flow quantities between meshes regardless of overlapping mesh differences. An implicit fractional step method is used for time advancement, requiring the calculation of a predicted fluid velocity and corrector pressure field. For the predictor step, the resulting interpolation is directly introduced into the implicit equations for the predicted flow field. For the corrected pressure field, the continuity between meshes is weakly enforced using a penalty formulation. The pressure formulation is symmetric, positive-definite and non-singular resulting in a formulation which is readily solvable using traditional iterative matrix inversion techniques. An Arbitrary Euler-Lagrangian (ALE) method coupled to a 6 degrees of freedom rigid body equation system (6-DOF) is used for body motion. For rotation, a quaternion representation is used to solve Euler's equations of rigid body motion. A linear spring damper model, which uses geometry information readily available from the overset assembly process, is used for collisions. Validation of the method for canonical flow fields is presented including assessment of order of accuracy and kinetic energy conservation properties. Particle-resolved direct numerical simulation (PR-DNS) of single particles in various flow fields are presented for validation. PR-DNS results of 50,000 spherical particles freely moving within turbulent channel flow are shown as a demonstration of the method at full scale. LES results of a marine propeller under crashback conditions are shown to demonstrate the ability to simulate highly unsteady turbulent flows over complex, moving geometries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Particle-in-cell Method for Plasmas with A Generalized Momentum Formulation, Part III: A family of Gauge Conserving Methods

In this paper, we introduce a new family of spatially co-located field solvers for particle-in-cell applications which evolve the potential formulation of Maxwell’s equations under the Lorenz gauge. Our recent work [2] introduced the concept of time-consistency, which connects charge conservation to the preservation of the gauge at the semi-discrete level. It will be shown that there exists a large family of time discretizations which satisfy this property. Additionally, it will be further shown that for large classes of time marching methods, the satisfaction of the gauge condition automatically implies the satisfaction of Gauss’s law for electricity, with the potential formulation ensuring that that Gauss’s law for magnetism is satisfied by definition. We focus on popular time marching methods including centered differences, backward differences, and diagonally-implicit Runge-Kutta methods, which are coupled to a spectral discretization in space. We demonstrate the theory by testing the methods on a relativistic Weibel instability and a drifting cloud of electrons.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The method of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A Two-Fold Structural Classification Method for Determining the Accurate Ensemble of Protein Structures

Atomic-level structural characterization of flexible proteins, such as intrinsically disordered proteins and multi-domain proteins connected by flexible linkers, is challenging as they possess distinct conformations in physiological conditions. Significant efforts have been made to develop integrated approaches by combining small angle neutron/X-ray scattering experiments with molecular simulations to reveal the distinct atomic structures and the corresponding populations for these flexible proteins. One widely used method, the basis-set supported ensemble method, classifies the simulation-generated protein conformations into a set of structural basis and then derives the corresponding populations by fitting to the experimental data. This method makes an implicit assumption that protein conformations of similar structures have similar small angle scattering profiles.The present work demonstrates that, for various protein systems ranging from compact globular proteins and flexible multidomain proteins through to intrinsically disordered proteins, this method provides inaccurate assessment of the structural ensemble of the protein molecules due to the breakdown of the assumption made. To alleviate this problem, a two-fold-clustering method is developed to cluster the simulation-generated protein structures using information on both 3D structure and scattering profiles. As benchmarked by both simulation and experimental results, this new method yields much more accurate populations of structural basis of protein molecules.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

An entropy correction method for unsteady full potential flows with strong shocks

An entropy correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to account for entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Comparisons between the present method and solutions of the Euler equations and between the present method and experimental data are presented. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation.

Whitlow, W., Jr.↗
NASA NTRS1986

An entropy correction method for unsteady full potential flows with strong shocks

An entropy correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to account for entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Comparisons between the present method and solutions of the Euler equations and between the present method and experimental data are presented. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation.

Whitlow, W., Jr.↗
NASA NTRS1988

Application of a nonisentropic full potential method to AGARD standard airfoils

An entropy-correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to model the entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Calculated results are presented for the NLR 7301, NACA 0012, and NACA 64A010A airfoils. Comparisons of the present method and solutions of the Euler equations are presented for the NLR 7301 airfoil, and comparisons of the present method and experimental data are presented for all three airfoils. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation. In addition, it is shown that modeling shock-generated entropy extends the range of validity of the full potential method.

Whitlow, Woodrow, Jr.↗
NASA NTRS1988

Application of a nonisentropic full potential method to AGARD standard airfoils

An entropy-correction method for the unsteady full potential equation is presented. The unsteady potential equation is modified to model the entropy jumps across shock waves. The conservative form of the modified equation is solved in generalized coordinates using an implicit, approximate factorization method. A flux-biasing differencing method, which generates the proper amounts of artificial viscosity in supersonic regions, is used to discretize the flow equations in space. Calculated results are presented for the NLR 7301, NACA 0012, and NACA 64A010A airfoils. Comparisons of the present method and solutions of the Euler equations are presented for the NLR 7301 airfoil, and comparisons of the present method and experimental data are presented for all three airfoils. The comparisons show that the present method more accurately models solutions of the Euler equations and experiment than does the isentropic potential formulation. In addition, it is shown that modeling shock-generated entropy extends the range of validity of the full potential method.

Whitlow, Woodrow, Jr.↗
NASA NTRS1991

A comparison of two closely-related approaches to aerodynamic design optimization

Two related methods for aerodynamic design optimization are compared. The methods, called the implicit gradient approach and the variational (or optimal control) approach, both attempt to obtain gradients necessary for numerical optimization at a cost significantly less than that of the usual black-box approach that employs finite difference gradients. While the two methods are seemingly quite different, they are shown to differ (essentially) in that the order of discretizing the continuous problem, and of applying calculus, is interchanged. Under certain circumstances, the two methods turn out to be identical. We explore the relationship between these methods by applying them to a model problem for duct flow that has many features in common with transonic flow over an airfoil. We find that the gradients computed by the variational method can sometimes be sufficiently inaccurate to cause the optimization to fail.

Shubin, G. R.↗