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NASA NTRS2003

Effects of Non-Sphericity on Mineral Dust Modeling

The dependency of non-sphericity on gravitational settling of mineral dust particles is parameterized for prolate ellipsoids and Reynolds number lower than 2. The settling speed is numerically solved from the momentum equation as a function of particle diameter and aspect ratio. The reduction of settling speed due to non-sphericity is included in the GO-CART model to simulate dust size distribution for April 2001. Two numerical schemes for solving sedimentation are compared. For particles of diameter greater than 5 micron the simulated size distribution is sensitive to the numerical sedimentation scheme. Changing the particle shape from spherical to non-spherical with lambda=2, makes little difference to the simulated surface concentration and size distribution except at the periphery of the dust sources. However, when very elongated particles (lambda=5) are simulated the differences between non-spherical and spherical particles are significant. With limited in-situ measurements reporting most frequent lambda around 1.5, the overall effects on global modeling is rather negligible and the essential benefit is to relax the CFL condition of Eulerian settling schemes.

Ginoux, Paul↗

DOE OSTI2024

Three-dimensional continuum point cloud method for large deformation and its verification

This study presents a strong form based meshfree collocation method, which is named Continuum Point Cloud Method, to solve nonlinear field equations derived from classical mechanics for deformed bodies in three-dimensional Euclidean space. The method and its implementation are benchmarked against a nonlinear vector field using manufactured solutions. The analysis of mechanical fields firstly focuses on the study of St. Venant Kirchhoff and compressible neo-Hookean materials. Results for various initial boundary value problems are presented, including benchmark cases involving unidirectional tension and simple shear. Subsequently, the study concludes with an analysis of a displacement-controlled simulation of a compressible neo-Hookean material, specifically a bar that is pulled to 50% of its original length and rotated 90°. The pure tension case yields a 1.5% error in displacement between computed and expected values and a combined tension and torsion loading case provides further insight into material behavior under complex loading conditions. The resulting normal axial and transverse stress-strain curves are also presented. Lastly, the consistency and robustness of the proposed nonlinear numerical schemes are successfully demonstrated through various numerical experiments.

Compressible neo-Hookean materials↗

DOE OSTI2023

Learning effective stochastic differential equations from microscopic simulations: Linking stochastic numerics to deep learning

We identify effective stochastic differential equations (SDEs) for coarse observables of fine-grained particle- or agent-based simulations; these SDEs then provide useful coarse surrogate models of the fine scale dynamics. We approximate the drift and diffusivity functions in these effective SDEs through neural networks, which can be thought of as effective stochastic ResNets. The loss function is inspired by, and embodies, the structure of established stochastic numerical integrators (here, Euler–Maruyama and Milstein); our approximations can thus benefit from backward error analysis of these underlying numerical schemes. They also lend themselves naturally to “physics-informed” gray-box identification when approximate coarse models, such as mean field equations, are available. Existing numerical integration schemes for Langevin-type equations and for stochastic partial differential equations can also be used for training; we demonstrate this on a stochastically forced oscillator and the stochastic wave equation. Our approach does not require long trajectories, works on scattered snapshot data, and is designed to naturally handle different time steps per snapshot. We consider both the case where the coarse collective observables are known in advance, as well as the case where they must be found in a data-driven manner.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1988

Numerical methods for incompressible viscous flows with engineering applications

A numerical scheme has been developed to solve the incompressible, 3-D Navier-Stokes equations using velocity-vorticity variables. This report summarizes the development of the numerical approximation schemes for the divergence and curl of the velocity vector fields and the development of compact schemes for handling boundary and initial boundary value problems.

Rose, M. E.↗

NASA NTRS1995

An Adaptive Semi-Implicit Scheme for Simulations of Unsteady Viscous Compressible Flows

A numerical scheme for simulation of unsteady, viscous, compressible flows is considered. The scheme employs an explicit discretization of the inviscid terms of the Navier-Stokes equations and an implicit discretization of the viscous terms. The discretization is second order accurate in both space and time. Under appropriate assumptions, the implicit system of equations can be decoupled into two linear systems of reduced rank. These are solved efficiently using a Gauss-Seidel method with multigrid convergence acceleration. When coupled with a solution-adaptive mesh refinement technique, the hybrid explicit-implicit scheme provides an effective methodology for accurate simulations of unsteady viscous flows. The methodology is demonstrated for both body-fitted structured grids and for rectangular (Cartesian) grids.

Steinthorsson, Erlendur↗

NASA NTRS2013

Comparative Study on High-Order Positivity-preserving WENO Schemes

In gas dynamics and magnetohydrodynamics flows, physically, the density and the pressure p should both be positive. In a standard conservative numerical scheme, however, the computed internal energy is obtained by subtracting the kinetic energy from the total energy, resulting in a computed p that may be negative. Examples are problems in which the dominant energy is kinetic. Negative may often emerge in computing blast waves. In such situations the computed eigenvalues of the Jacobian will become imaginary. Consequently, the initial value problem for the linearized system will be ill posed. This explains why failure of preserving positivity of density or pressure may cause blow-ups of the numerical algorithm. The adhoc methods in numerical strategy which modify the computed negative density and/or the computed negative pressure to be positive are neither a conservative cure nor a stable solution. Conservative positivity-preserving schemes are more appropriate for such flow problems. The ideas of Zhang & Shu (2012) and Hu et al. (2012) precisely address the aforementioned issue. Zhang & Shu constructed a new conservative positivity-preserving procedure to preserve positive density and pressure for high-order WENO schemes by the Lax-Friedrichs flux (WENO/LLF). In general, WENO/LLF is too dissipative for flows such as turbulence with strong shocks computed in direct numerical simulations (DNS) and large eddy simulations (LES). The new conservative positivity-preserving procedure proposed in Hu et al. (2012) can be used with any high-order shock-capturing scheme, including high-order WENO schemes using the Roe's flux (WENO/Roe). The goal of this study is to compare the results obtained by non-positivity-preserving methods with the recently developed positivity-preserving schemes for representative test cases. In particular the more difficult 3D Noh and Sedov problems are considered. These test cases are chosen because of the negative pressure/density most often exhibited by standard high-order shock-capturing schemes. The simulation of a hypersonic nonequilibrium viscous shock tube that is related to the NASA Electric Arc Shock Tube (EAST) is also included. EAST is a high-temperature and high Mach number viscous nonequilibrium flow consisting of 13 species. In addition, as most common shock-capturing schemes have been developed for problems without source terms, when applied to problems with nonlinear and/or sti source terms these methods can result in spurious solutions, even when solving a conservative system of equations with a conservative scheme. This kind of behavior can be observed even for a scalar case (LeVeque & Yee 1990) as well as for the case consisting of two species and one reaction (Wang et al. 2012). For further information concerning this issue see (LeVeque & Yee 1990; Griffiths et al. 1992; Lafon & Yee 1996; Yee et al. 2012). This EAST example indicated that standard high-order shock-capturing methods exhibit instability of density/pressure in addition to grid-dependent discontinuity locations with insufficient grid points. The evaluation of these test cases is based on the stability of the numerical schemes together with the accuracy of the obtained solutions.

WENO↗

NASA NTRS2002

The Delta x B = 0 Constraint Versus Minimization of Numerical Errors in MHD Simulations

The MHD equations are a system of non-strictly hyperbolic conservation laws. The non-convexity of the inviscid flux vector resulted in corresponding Jacobian matrices with undesirable properties. It has previously been shown by Powell et al. (1995) that an 'almost' equivalent MHD system in non-conservative form can be derived. This non-conservative system has a better conditioned eigensystem. Aside from Powell et al., the MHD equations can be derived from basic principles in either conservative or non-conservative form. The Delta x B = 0 constraint of the MHD equations is only an initial condition constraint, it is very different from the incompressible Navier-Stokes equations in which the divergence condition is needed to close the system (i.e., to have the same number of equations and the same number of unknown). In the MHD formulations, if Delta x B = 0 initially, all one needs is to construct appropriate numerical schemes that preserve this constraint at later time evolutions. In other words, one does not need the Delta x B condition to close the MHD system. We formulate our new scheme together with the Cargo & Gallice (1997) form of the MHD approximate Riemann solver in curvilinear grids for both versions of the MHD equations. A novel feature of our new method is that the well-conditioned eigen-decomposition of the non-conservative MHD equations is used to solve the conservative equations. This new feature of the method provides well-conditioned eigenvectors for the conservative formulation, so that correct wave speeds for discontinuities are assured. The justification for using the non-conservative eigen-decomposition to solve the conservative equations is that our scheme has a better control of the numerical error associated with the divergence of the magnetic condition. Consequently, computing both forms of the equations with the same eigen-decomposition is almost equivalent. It will be shown that this approach, using the non-conservative eigensystem when solving the conservative equations, also works well in the context of standard shock-capturing schemes.

Yee, H. C.↗

NASA NTRS2014

Comparitive Study of High-Order Positivity-Preserving WENO Schemes

In gas dynamics and magnetohydrodynamics flows, physically, the density ρ and the pressure p should both be positive. In a standard conservative numerical scheme, however, the computed internal energy is The ideas of Zhang & Shu (2012) and Hu et al. (2012) precisely address the aforementioned issue. Zhang & Shu constructed a new conservative positivity-preserving procedure to preserve positive density and pressure for high-order Weighted Essentially Non-Oscillatory (WENO) schemes by the Lax-Friedrichs flux (WENO/LLF). In general, WENO/LLF is obtained by subtracting the kinetic energy from the total energy, resulting in a computed p that may be negative. Examples are problems in which the dominant energy is kinetic. Negative ρ may often emerge in computing blast waves. In such situations the computed eigenvalues of the Jacobian will become imaginary. Consequently, the initial value problem for the linearized system will be ill posed. This explains why failure of preserving positivity of density or pressure may cause blow-ups of the numerical algorithm. The adhoc methods in numerical strategy which modify the computed negative density and/or the computed negative pressure to be positive are neither a conservative cure nor a stable solution. Conservative positivity-preserving schemes are more appropriate for such flow problems. too dissipative for flows such as turbulence with strong shocks computed in direct numerical simulations (DNS) and large eddy simulations (LES). The new conservative positivity-preserving procedure proposed in Hu et al. (2012) can be used with any high-order shock-capturing scheme, including high-order WENO schemes using the Roe's flux (WENO/Roe). The goal of this study is to compare the results obtained by non-positivity-preserving methods with the recently developed positivity-preserving schemes for representative test cases. In particular the more di cult 3D Noh and Sedov problems are considered. These test cases are chosen because of the negative pressure/density most often exhibited by standard high-order shock-capturing schemes. The simulation of a hypersonic nonequilibrium viscous shock tube that is related to the NASA Electric Arc Shock Tube (EAST) is also included. EAST is a high-temperature and high Mach number viscous nonequilibrium ow consisting of 13 species. In addition, as most common shock-capturing schemes have been developed for problems without source terms, when applied to problems with nonlinear and/or sti source terms these methods can result in spurious solutions, even when solving a conservative system of equations with a conservative scheme. This kind of behavior can be observed even for a scalar case as well as for the case consisting of two species and one reaction.. This EAST example indicated that standard high-order shock-capturing methods exhibit instability of density/pressure in addition to grid-dependent discontinuity locations with insufficient grid points. The evaluation of these test cases is based on the stability of the numerical schemes together with the accuracy of the obtained solutions.

Schemes↗

NASA NTRS1974

Evaluation of approximate relations for Delta /Q/ using a numerical solution of the Boltzmann equation

Data obtained from a numerical solution of the Boltzmann equation for shock-wave structure are used to test the accuracy of accepted approximate expressions for the two moments of the collision integral Delta (Q) for general intermolecular potentials in systems with a large translational nonequilibrium. The accuracy of the numerical scheme is established by comparison of the numerical results with exact expressions in the case of Maxwell molecules. They are then used in the case of hard-sphere molecules, which are the furthest-removed inverse power potential from the Maxwell molecule; and the accuracy of the approximate expressions in this domain is gauged. A number of approximate solutions are judged in this manner, and the general advantages of the numerical approach in itself are considered.

Nathenson, M.↗

NASA NTRS1991

On the nonlinear development of the most unstable Goertler vortex mode

The nonlinear development of the most unstable Gortler vortex mode in boundary layer flows over curved walls is investigated. The most unstable Gortler mode is confined to a viscous wall layer of thickness O(G -1/5) and has spanwise wavelength O(G 11/5); it is, of course, most relevant to flow situations where the Gortler number G is much greater than 1. The nonlinear equations covering the evolution of this mode over an O(G -3/5) streamwise lengthscale are derived and are found to be of a fully nonparallel nature. The solution of these equations is achieved by making use of the numerical scheme used by Hall (1988) for the numerical solution of the nonlinear Gortler equations valid for O(1) Gortler numbers. Thus, the spanwise dependence of the flow is described by a Fourier expansion, whereas the streamwise and normal variations of the flow are dealt with by employing a suitable finite difference discretization of the governing equations. Our calculations demonstrate that, given a suitable initial disturbance, after a brief interval of decay, the energy in all the higher harmonics grows until a singularity is encountered at some downstream position. The structure of the flowfield as this singularity is approached suggests that the singularity is responsible for the vortices, which are initially confined to the thin viscous wall layer, moving away from the wall and into the core of the boundary layer.

Denier, James P.↗

NASA NTRS1993

On the nonlinear development of the most unstable Goertler vortex mode TLSP - Final report

The nonlinear development of the most unstable Goertler vortex mode in boundary layer flows over curved walls is investigated. The most unstable Goertler mode is confined to a viscous wall layer of thickness O(G -1/5) and has spanwise wavelength O(G 11/5); it is, of course, most relevant to flow situations where the Goertler number G is much greater than 1. The nonlinear equations covering the evolution of this mode over an O(G -3/5) streamwise lengthscale are derived and are found to be of a fully nonparallel nature. The solution of these equations is achieved by making use of the numerical scheme used by Hall (1988) for the numerical solution of the nonlinear Goertler equations valid for O(1) Goertler numbers. Thus, the spanwise dependence of the flow is described by a Fourier expansion, whereas the streamwise and normal variations of the flow are dealt with by employing a suitable finite difference discretization of the governing equations. Our calculations demonstrate that, given a suitable initial disturbance, after a brief interval of decay, the energy in all the higher harmonics grows until a singularity is encountered at some downstream position. The structure of the flowfield as this singularity is approached suggests that the singularity is responsible for the vortices, which are initially confined to the thin viscous wall layer, moving away from the wall and into the core of the boundary layer.

Denier, James P.↗

NASA NTRS1989

Numerical solution of a two-dimensional jet in a supersonic crossflow using an upwind relaxation scheme

A numerical scheme for predicting complex two-dimensional viscous flow fields is presented. The algorithm uses Roe's method for defining the inviscid fluxes and a line relaxation scheme to solve the resulting discrete approximation. The effects of turbulence are modelled using an algebraic eddy viscosity model. An adaptive grid scheme is employed to improve the resolution of complex flow field phenomena. The algorithm is applied to the solution of a sonic jet in a supersonic crossflow. Numerical results are compared with experimental data to validate the numerical approach.

Thompson, D. S.↗

NASA NTRS1988

Confined turbulent fluid-particle flow modeling using multiple-realization particle trajectory schemes

A multiple-realization particle trajectory scheme has been developed and applied to the numerical prediction of confined turbulent fluid-particle flows. The example flows investigated include the vertical pipe upflow experimental data of Tsuji et al. and the experimental data of Leavitt for a coaxial jet flow, comprising a particle-laden central jet and a clean annular jet, into a large recirculation chamber. The results obtained from the numerical scheme agree well with the experimental data, lending confidence to the modeling approach. The multiple-realization particle trajectory turbulent flow modeling scheme is believed to be a more elegant and accurate approach to the extension of single-particle hydrodynamics to dilute multi-particle systems than the more commonly employed two-fluid modeling approach. It is also better able to incorporate additional force items such as lift, virtual mass and Bassett history terms directly into the particle equation of motion as appropriate. This makes it a suitable candidate for particle migration studies and an extension to situations involving liquid particulate phases with possible propulsion applications, such as in spray combustion, follows naturally.

Adeniji-Fashola, A. A.↗

NASA NTRS2001

Designing Adaptive Low-Dissipative High Order Schemes for Long-Time Integrations

A general framework for the design of adaptive low-dissipative high order schemes is presented. It encompasses a rather complete treatment of the numerical approach based on four integrated design criteria: (1) For stability considerations, condition the governing equations before the application of the appropriate numerical scheme whenever it is possible; (2) For consistency, compatible schemes that possess stability properties, including physical and numerical boundary condition treatments, similar to those of the discrete analogue of the continuum are preferred; (3) For the minimization of numerical dissipation contamination, efficient and adaptive numerical dissipation control to further improve nonlinear stability and accuracy should be used; and (4) For practical considerations, the numerical approach should be efficient and applicable to general geometries, and an efficient and reliable dynamic grid adaptation should be used if necessary. These design criteria are, in general, very useful to a wide spectrum of flow simulations. However, the demand on the overall numerical approach for nonlinear stability and accuracy is much more stringent for long-time integration of complex multiscale viscous shock/shear/turbulence/acoustics interactions and numerical combustion. Robust classical numerical methods for less complex flow physics are not suitable or practical for such applications. The present approach is designed expressly to address such flow problems, especially unsteady flows. The minimization of employing very fine grids to overcome the production of spurious numerical solutions and/or instability due to under-resolved grids is also sought. The incremental studies to illustrate the performance of the approach are summarized. Extensive testing and full implementation of the approach is forthcoming. The results shown so far are very encouraging.

Yee, Helen C.↗

NASA NTRS2005

Designing Adaptive Low-Dissipative High Order Schemes for Long-Time Integrations

A general framework for the design of adaptive low-dissipative high order schemes is presented. It encompasses a rather complete treatment of the numerical approach based on four integrated design criteria: (1) For stability considerations, condition the governing equations before the application of the appropriate numerical scheme whenever it is possible. (2) For consistency, compatible schemes that possess stability properties, including physical and numerical boundary condition treatments, similar to those of the discrete analogue of the continuum are preferred. (3) For the minimization of numerical dissipation contamination, efficient and adaptive numerical dissipation control to further improve nonlinear stability and accuracy should be used. (4) For practical considerations, the numerical approach should be efficient and applicable to general geometries, and an efficient and reliable dynamic grid adaptation should be used if necessary. These design criteria are, in general, very useful to a wide spectrum of flow simulations. However, the demand on the overall numerical approach for non-linear stability and accuracy is much more stringent for long-time integration of complex multiscale viscous shock/shear/turbulence/acoustics interactions and numerical combustion. Robust classical numerical methods for less complex flow physics are not suitable or practical for such applications. The present approach is designed expressly to address such flow problems, especially unsteady flows.

Yee, H. C.↗

NASA NTRS1992

Fourier/Chebyshev methods for the incompressible Navier-Stokes equations in finite domains

A fully spectral numerical scheme for the incompressible Navier-Stokes equations in domains which are infinite or semi-infinite in one dimension. The domain is not mapped, and standard Fourier or Chebyshev expansions can be used. The handling of the infinite domain does not introduce any significant overhead. The scheme assumes that the vorticity in the flow is essentially concentrated in a finite region, which is represented numerically by standard spectral collocation methods. To accomodate the slow exponential decay of the velocities at infinity, extra expansion functions are introduced, which are handled analytically. A detailed error analysis is presented, and two applications to Direct Numerical Simulation of turbulent flows are discussed in relation with the numerical performance of the scheme.

Corral, Roque↗

NASA NTRS2016

Enhancement of the Open National Combustion Code (OpenNCC) and Initial Simulation of Energy Efficient Engine Combustor

In this paper, we present the recent enhancement of the Open National Combustion Code (OpenNCC) and apply the OpenNCC to model a realistic combustor configuration (Energy Efficient Engine (E3)). First, we perform a series of validation tests for the newly-implemented advection upstream splitting method (AUSM) and the extended version of the AUSM-family schemes (AUSM+-up). Compared with the analytical/experimental data of the validation tests, we achieved good agreement. In the steady-state E3 cold flow results using the Reynolds-averaged Navier-Stokes(RANS), we find a noticeable difference in the flow fields calculated by the two different numerical schemes, the standard Jameson- Schmidt-Turkel (JST) scheme and the AUSM scheme. The main differences are that the AUSM scheme is less numerical dissipative and it predicts much stronger reverse flow in the recirculation zone. This study indicates that two schemes could show different flame-holding predictions and overall flame structures.

Combustor-turbine interaction↗

NASA NTRS2016

Enhancement of the Open National Combustion Code (OpenNCC) and Initial Simulation of Energy Efficient Engine Combustor

Code validation↗