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DOE OSTI2025

Concurrent two-way coupling of global and local models across internal boundaries with non-matching discretizations

Coupling local and global models enables efficient simulation of multiscale systems, where global models capture large-scale behavior and local models, with enhanced physics, resolve finer details over a smaller region. Here, this paper presents a mathematically consistent method for coupling physics-based models of varying fidelity across adjacent, non-overlapping subdomains, even when discretizations do not match at the immersed interdomain interfaces. Incompressible Navier-Stokes equations (NSE) constitute the global model while residual-based turbulence model serves as the local high-fidelity model. In addition, a scalar advection-diffusion equation that models the convection of an active scalar field is appended to the turbulence model in the local domain. This scalar field does not have its complement in the global model, giving rise to unequal number of equations at the immersed boundary between local and global models. Interdomain coupling terms are derived via the Variational Multiscale Discontinuous Galerkin (VMDG) method with new developments in scale representation and efficient fine-scale estimation. While transient laminar flows modeled with NSE in the global domain can be resolved with relatively coarse mesh, turbulent flow calculations in the local model require much finer spatial discretizations as well as smaller time-step for appropriately resolving the turbulent flow physics. The proposed framework also accommodates non-matching meshes at the immersed boundaries. Test problems in 2D and 3D numerically showcase the concurrent two-way coupling of unknown fields across the immersed boundaries. The 3D test presents a case with an unequal number of equations, where the scalar field represents the convection of contaminant concentration. This provides more detailed physics in the local region and highlights its application in climate modeling and atmospheric sciences.

Variational Multiscale Discontinuous Galerkin (VMD↗

NASA NTRS1990

Finite element solution of optimal control problems with inequality constraints

A finite-element method based on a weak Hamiltonian form of the necessary conditions is summarized for optimal control problems. Very crude shape functions (so simple that element numerical quadrature is not necessary) can be used to develop an efficient procedure for obtaining candidate solutions (i.e., those which satisfy all the necessary conditions) even for highly nonlinear problems. An extension of the formulation allowing for discontinuities in the states and derivatives of the states is given. A theory that includes control inequality constraints is fully developed. An advanced launch vehicle (ALV) model is presented. The model involves staging and control constraints, thus demonstrating the full power of the weak formulation to date. Numerical results are presented along with total elapsed computer time required to obtain the results. The speed and accuracy in obtaining the results make this method a strong candidate for a real-time guidance algorithm.

Bless, Robert R.↗

NASA NTRS1990

A high-order compact numerical algorithm for supersonic flows

A dissipative compact two-four scheme (second-order time, fourth-order space) similar to the original MacCormack scheme has been developed, that exhibits greater accuracy than conventional fourth-order schemes. The dissipative nature of the scheme allows it to resolve weak discontinuities without artificial damping. A derivation of the scheme is presented, as well as the theoretical stability characteristics. The temporal scheme is then generalized into a steady-state formulation which achieves fourth-order spatial accuracy at steady-state. Several test problems are used to show that the scheme is more accurate than the traditional MacCormack scheme, and is nearly as efficient.

Carpenter, M. H.↗

NASA NTRS1995

A dynamic model of the three-fluid solar wind: Equilibrium structures and fluxes

We report results from a dynamic approach to equilibrium for a three fluid solar-wind model in spherical 1D. We advance the mass, momentum and energy transport equations for protons, alpha particles and electrons, with full interspecies coulomb coupling and the simplifications recommended by Burgi (1992). They include no ion heat conduction and an ambipolar electric field in place of the negligible electron momentum coupling. At the inner boundary (the solar surface) we specify the inflow velocity, mass flux, and temperature for each species, and at the outer boundary at large radius we allow the fluids to flow freely from the computational domain. Starting from an initial wind model (e.g.. single fluid) we evolve to a three-fluid steady state. We will describe comparisons with Burgi's static equilibrium results. and examine the stability of the discontinuities which appear in his derived parameter variations.

Ruden, S. P.↗

DOE OSTI2023

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Entropy stable modal discontinuous Galerkin schemes and wall boundary conditions for the compressible Navier-Stokes equations

Entropy stable schemes ensure that physically meaningful numerical solutions also satisfy a semi-discrete entropy inequality under appropriate boundary conditions. Here in this work, we describe a discretization of viscous terms in the compressible Navier-Stokes equations which enables a simple and explicit imposition of entropy stable no-slip and reflective (symmetry) wall boundary conditions for discontinuous Galerkin (DG) discretizations. Specifically, we derive methods for imposing adiabatic no-slip and reflective (symmetry) boundary conditions for modal entropy stable DG formulations which preserve a semi-discrete entropy inequality. Numerical results confirm the robustness and accuracy of the proposed approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1975

A finite element analysis of the exact nonlinear formulation of a lifting surface in steady incompressible flow, with the evaluation of the correct wake geometry

The problem of steady incompressible flow for lifting surfaces is considered. An integral equation is solved relating the values of the potential discontinuity on the lifting surface and its wake to the values of the normal derivative of the potential which are known from the boundary conditions. The lifting surface and the wake are divided into small quadrilateral surface elements. The values of the potential discontinuity and the normal derivative of the potential are assumed to be constant within each lifting surface element and equal to their values at the centroids of the lifting surface elements. This yields a set of linear algebraic equations. An iteration procedure is used to obtain the wake geometry: the velocities at the corner points of the wake elements are calculated and the wake streamlines are aligned to be parallel to the velocity vector. The procedure is repeated until convergence is attained.

Suciu, E. O.↗

NASA NTRS1992

Analysis of shielded CPW discontinuities with air-bridges

The effect of air-bridges on the performance of various coplanar waveguides (CPW) discontinuities is studied. Specifically, the coupled open-end CPW's and the short-end shunt CPW stub discontinuities are considered. The high frequency effect of the air-bridge is evaluated using a hybrid technique. At first, the frequency dependent equivalent circuit of the planar discontinuity without the air-bridge is derived using the Space Domain Integral Equation (SDIE) method. Then, the circuit is modified by incorporating the air-bridge's parasitic inductance and capacitance which are evaluated using a simple quasi-static model. The frequency response of each discontinuity with and without the air-bridge is studied and the scattering parameters are plotted in the frequency range 30-50 GHz for typical CPW dimensions.

Dib, N. I.↗

DOE OSTI2020

Structural Modifications of Single-Crystal Aragonite CaCO 3 Beginning at ~15 GPa: In Situ Vibrational Spectroscopy and X-Ray Diffraction Evidence

The structural chemistry of carbonates under mantle conditions facilitates our understanding of carbon recycling pathways in the earth’s interior. It also has impacts on the dynamics of mantle–slab interactions. Aragonite is a common calcium carbonate mineral in pelagic marine sediments. The structural chemistry of single-crystal aragonite during successive compression and the behavior of a structural H+ have been investigated by micro-vibrational spectroscopy and synchrotron X-ray diffraction techniques in diamond anvil cells. We describe a reduction of the b-axial compressibility beginning at ~15 GPa, and the related discontinuities in the first-order derivatives of the vibrational modes. The structural modifications of aragonite are manifested by mutations occurring in the pressure relations of the wavenumbers of the O-C-O bending modes, and of the bandwidth and band intensities of the measured internal and external modes. These anomalies are indicative of changes occurring in the force constant of the C-O bonds, and possibly a second-order phase transition. Besides, the [CaO 9 ] polyhedra begin to deform, possibly with some Ca-O bonds becoming elongated and the others shortening. An increase in the co-ordination number for the Ca 2+ sites could be expected under higher pressures. Additionally, the weakening of the OH modes may imply H + -loss from the aragonite lattice above 11.5 GPa.

58 GEOSCIENCES↗

NASA NTRS1971

Non-asymptotic effects in the approach to the far field sonic boom.

An extension is described for the Whitham theory (1952, 1954) which indicates small deviations from the ultimate N-wave for bodies with a continuous or discontinuous tangent. Some simple formulas are derived which yield a good reduction in the sonic boom intensity. The theory is elucidated by some numerical examples for a class of simple theoretically relevant shapes.

Henderson, L. F.↗

NASA NTRS1985

Instabilities in decelerating supersonic flows with applications to cosmic ray shocks

The nature of instabilities in cosmic ray shocks is investigated by using two distinct models for the shock wave. For wavelengths which are short relative to the thickness of the shock wave, the shock is treated as a smoothly decelerating low, and an appropriate JWKB type expansion is used to describe the perturbations to the flow. In this, the short wavelength regime, the presence of squeezing and an effective g renders strong cosmic ray shocks unstable in a way which is similar to instabilities in other supersonic flows, such as in de Laval nozzle flow or a heat conduction dominated shock wave. In the long wavelength limit, where the shock is treated as a discontinuous transition, a stability function is derived which, if negative, corresponds to unstable disturbances growing exponentially in time. In this case, it was found that if the cosmic ray fluid is relativistic (gamma sub c = 4/3) and the background plasma ideal (gamma = 5/3), then strong shocks are unstable.

Zank, A. P.↗

NASA NTRS1997

Exponential Approximations Using Fourier Series Partial Sums

The problem of accurately reconstructing a piece-wise smooth, 2(pi)-periodic function f and its first few derivatives, given only a truncated Fourier series representation of f, is studied and solved. The reconstruction process is divided into two steps. In the first step, the first 2N + 1 Fourier coefficients of f are used to approximate the locations and magnitudes of the discontinuities in f and its first M derivatives. This is accomplished by first finding initial estimates of these quantities based on certain properties of Gibbs phenomenon, and then refining these estimates by fitting the asymptotic form of the Fourier coefficients to the given coefficients using a least-squares approach. It is conjectured that the locations of the singularities are approximated to within O(N(sup -M-2), and the associated jump of the k(sup th) derivative of f is approximated to within O(N(sup -M-l+k), as N approaches infinity, and the method is robust. These estimates are then used with a class of singular basis functions, which have certain 'built-in' singularities, to construct a new sequence of approximations to f. Each of these new approximations is the sum of a piecewise smooth function and a new Fourier series partial sum. When N is proportional to M, it is shown that these new approximations, and their derivatives, converge exponentially in the maximum norm to f, and its corresponding derivatives, except in the union of a finite number of small open intervals containing the points of singularity of f. The total measure of these intervals decreases exponentially to zero as M approaches infinity. The technique is illustrated with several examples.

Banerjee, Nana S.↗

NASA NTRS1997

Locating the Discontinuities of a Bounded Function by the Partial Sums of its Fourier Series I: Periodical Case

A key step for some methods dealing with the reconstruction of a function with jump discontinuities is the accurate approximation of the jumps and their locations. Various methods have been suggested in the literature to obtain this valuable information. In the present paper, we develop an algorithm based on identities which determine the jumps of a 2(pi)-periodic bounded not-too-highly oscillating function by the partial sums of its differentiated Fourier series. The algorithm enables one to approximate the locations of discontinuities and the magnitudes of jumps of a bounded function. We study the accuracy of approximation and establish asymptotic expansions for the approximations of a 27(pi)-periodic piecewise smooth function with one discontinuity. By an appropriate linear combination, obtained via derivatives of different order, we significantly improve the accuracy. Next, we use Richardson's extrapolation method to enhance the accuracy even more. For a function with multiple discontinuities we establish simple formulae which "eliminate" all discontinuities of the function but one. Then we treat the function as if it had one singularity following the method described above.

Kvernadze, George↗

NASA NTRS1974

A finite-element method for lifting surfaces in steady incompressible subsonic flow

The problem of potential steady subsonic flow for lifting surfaces is considered. This problem requires the solution of an integral equation relating the value of the potential discontinuity on the lifting surface and its wake to the values of the normal derivative of the potential which are known from the boundary conditions. The lifting surface is divided into small (quadrilateral hyperboloidal) surface elements, which are described in terms of the Cartesian components of the four corner points. The values of the potential discontinuity and the normal derivative of the potential are assumed to be constant within each element and equal to their values at the centroids of the elements. This yields a set of linear algebraic equations. Numerical results are in good agreement with existing ones.

Morino, L.↗

DOE OSTI2024

Optimization using pathwise algorithmic derivatives of electromagnetic shower simulations

Among the well-known methods to approximate derivatives of expectancies computed by Monte-Carlo simulations, averages of pathwise derivatives are often the easiest one to apply. Computing them via algorithmic differentiation typically does not require major manual analysis and rewriting of the code, even for very complex programs like simulations of particle-detector interactions in high-energy physics. However, the pathwise derivative estimator can be biased if there are discontinuities in the program, which may diminish its value for applications. This work integrates algorithmic differentiation into the electromagnetic shower simulation code HepEmShow based on G4HepEm, allowing us to study how well pathwise derivatives approximate derivatives of energy depositions in a sampling calorimeter with respect to parameters of the beam and geometry. We found that when multiple scattering is disabled in the simulation, means of pathwise derivatives converge quickly to their expected values, and these are close to the actual derivatives of the energy deposition. Additionally, we demonstrate the applicability of this novel gradient estimator for stochastic gradient-based optimization in a model example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2008

A Systematic Methodology for Constructing High-Order Energy-Stable WENO Schemes

A third-order Energy Stable Weighted Essentially Non-Oscillatory (ESWENO) finite difference scheme developed by Yamaleev and Carpenter (AIAA 2008-2876, 2008) was proven to be stable in the energy norm for both continuous and discontinuous solutions of systems of linear hyperbolic equations. Herein, a systematic approach is presented that enables \energy stable" modifications for existing WENO schemes of any order. The technique is demonstrated by developing a one-parameter family of fifth-order upwind-biased ESWENO schemes; ESWENO schemes up to eighth order are presented in the appendix. New weight functions are also developed that provide (1) formal consistency, (2) much faster convergence for smooth solutions with an arbitrary number of vanishing derivatives, and (3) improved resolution near strong discontinuities.

Yamaleev, Nail K.↗

NASA NTRS2009

High-Order Energy Stable WENO Schemes

A third-order Energy Stable Weighted Essentially Non-Oscillatory (ESWENO) finite difference scheme developed by Yamaleev and Carpenter was proven to be stable in the energy norm for both continuous and discontinuous solutions of systems of linear hyperbolic equations. Herein, a systematic approach is presented that enables 'energy stable' modifications for existing WENO schemes of any order. The technique is demonstrated by developing a one-parameter family of fifth-order upwind-biased ESWENO schemes; ESWENO schemes up to eighth order are presented in the appendix. New weight functions are also developed that provide (1) formal consistency, (2) much faster convergence for smooth solutions with an arbitrary number of vanishing derivatives, and (3) improved resolution near strong discontinuities.

Yamaleev, Nail K.↗

NASA NTRS2009

A Systematic Methodology for Constructing High-Order Energy Stable WENO Schemes

A third-order Energy Stable Weighted Essentially Non{Oscillatory (ESWENO) finite difference scheme developed by Yamaleev and Carpenter [1] was proven to be stable in the energy norm for both continuous and discontinuous solutions of systems of linear hyperbolic equations. Herein, a systematic approach is presented that enables "energy stable" modifications for existing WENO schemes of any order. The technique is demonstrated by developing a one-parameter family of fifth-order upwind-biased ESWENO schemes; ESWENO schemes up to eighth order are presented in the appendix. New weight functions are also developed that provide (1) formal consistency, (2) much faster convergence for smooth solutions with an arbitrary number of vanishing derivatives, and (3) improved resolution near strong discontinuities.

Yamaleev, Nail K.↗