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Uniform high order spectral methods for one and two dimensional Euler equations

Uniform high order spectral methods to solve multi-dimensional Euler equations for gas dynamics are discussed. Uniform high order spectral approximations with spectral accuracy in smooth regions of solutions are constructed by introducing the idea of the Essentially Non-Oscillatory (ENO) polynomial interpolations into the spectral methods. The authors present numerical results for the inviscid Burgers' equation, and for the one dimensional Euler equations including the interactions between a shock wave and density disturbance, Sod's and Lax's shock tube problems, and the blast wave problem. The interaction between a Mach 3 two dimensional shock wave and a rotating vortex is simulated.

Cai, Wei↗

Uniform high-order spectral methods for one- and two-dimensional Euler equations

Uniform high order spectral methods to solve multi-dimensional Euler equations for gas dynamics are discussed. Uniform high order spectral approximations with spectral accuracy in smooth regions of solutions are constructed by introducing the idea of the Essentially Non-Oscillatory (ENO) polynomial interpolations into the spectral methods. The authors present numerical results for the inviscid Burgers' equation, and for the one-dimensional Euler equations including the interactions between a shock wave and density disturbance, Sod's and Lax's shock tube problems, and the blast wave problem. The interaction between a Mach 3 two-dimensional shock wave and a rotating vortex is simulated.

Cai, Wei↗

Nanometer-Scale Correlations in Aqueous Salt Solutions

The intermediate-range (1–4 nm) correlation of cations, an- ions, and water in aqueous alkaline earth salt solutions is measured using synchrotron X-ray diffraction. We differentiate from the entire solution structure factor, S(Q), a separate region at low Q (<1 °A-1) containing local diffraction maxima (pre-peaks) that indicate nanometer-scale oscillatory behavior. These features are quantitatively reproduced with classical molecular dynamics simulations. At high concentrations, the pre-peaks emerge from correlations arising from existence of small quasi close-packed lattice- like structures comprised of cation hydration spheres. We also analyze the concentration dependence of the pre-peak and discuss the overall results in light of the rich literature dealing with intermediate-range correlations underlying universal phenomena in concentrated electrolytes. The authors were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. Computing resources were generously allocated by PNNL's Institutional Computing program. DOE Contract No. DEAC02- 06CH11357 supports operation of the Advanced Photon Source at Argonne National Laboratory.

Chemical physics, nucleation, Madelung potential↗

Spin-piston problem for a ferromagnetic thin film: Shock waves and solitons

In this report the unsteady, nonlinear magnetization dynamics induced by spin injection in an easy-plane ferromagnetic channel subject to an external magnetic field are studied analytically. Leveraging a dispersive hydrodynamic description, the Landau-Lifshitz equation is recast in terms of hydrodynamic-like variables for the magnetization's perpendicular component (spin density) and azimuthal phase gradient (fluid velocity). Spin injection acts as a moving piston that generates nonlinear, dynamical spin textures in the ferromagnetic channel with downstream quiescent spin density set by the external field. In contrast to the classical problem of a piston accelerating a compressible gas, here, variable spin injection and field lead to a rich variety of nonlinear wave phenomena from oscillatory spin shocks to solitons and rarefaction (expansion) waves. A full classification of solutions is provided using nonlinear wave modulation theory by identifying two key aspects of the fluid-like dynamics: subsonic/supersonic conditions and convex/nonconvex hydrodynamic flux. Familiar waveforms from the classical piston problem such as rarefaction waves and shocks manifest in their spin-based counterparts as smooth and highly oscillatory transitions, respectively, between two distinct magnetic states. The spin shock is an example of a dispersive shock wave, which arises in many physical systems. New features without a gas dynamics counterpart include composite wave complexes with “contact” spin shocks and rarefactions. Magnetic supersonic conditions lead to two pronounced piston edge behaviors including a stationary soliton and an oscillatory wave train. These coherent wave structures have physical implications for the generation of high frequency spin waves from pulsed injection and persistent, stable stationary and/or propagating solitons in the presence of magnetic damping. The analytical results are favorably compared with numerical simulations.

36 MATERIALS SCIENCE↗

Unsteady, Transonic Flow Around Delta Wings Undergoing Coupled and Natural Modes Response: A Multidisciplinary Problem

The unsteady, three-dimensional Navier-Stokes equations coupled with the Euler equations of rigid-body dynamics are sequentially solved to simulate and analyze the aerodynamic response of a high angle of attack delta wing undergoing oscillatory motion. The governing equations of fluid flow and dynamics of the multidisciplinary problem are solved using a time-accurate solution of the laminar, unsteady, compressible, full Navier- Stokes equations with the implicit, upwind, Roe flux-difference splitting, finite-volume scheme and a four-stage Runge-Kutta scheme, respectively. The primary model under consideration consists of a 65 deg swept, sharp-edged, cropped delta wing of zero thickness at 20 deg angle of attack. In a freestream of Mach 0.85 and Reynolds number of 3.23 x 10(exp 6), the flow over the upper surface of the wing develops a complex shock system which interacts with the leading-edge primary vortices producing vortex breakdown. The effect of the oscillatory motion of the wing on the vortex breakdown and overall aerodynamic response is detailed to provide insight to the complicated physics associated with unsteady flows and the phenomenon of wing rock. Forced sinusoidal single and coupled mode rolling and pitching motion is presented for the wing in a transonic freestream. The Reynolds number, frequency of oscillation, and the phase angle are varied. Comparison between the single and coupled mode forced rolling and pitching oscillation cases illustrate the effects of coupling the motion. This investigation shows that even when coupled, forced rolling oscillation at a reduced frequency of 2(pi) eliminates the vortex breakdown which results in an increase in lift. The coupling effect for in phase forced oscillations show that the lift coefficient of the pitching-alone case and the rolling-moment coefficient of the rolling-alone case dominate the resulting response. However, with a phase lead in the pitching motion, the coupled motion results in a non-periodic response of the rolling moment. The second class of problems involve releasing the wing in roll to respond to the flowfield. Two models of sharp-edged delta wings, the previous 65 deg swept model and an 80 deg swept, sharp-edged delta wing, are used to observe the aerodynamic response of a wing free to roll in a transonic and subsonic freestream, respectively. These cases demonstrate damped oscillations, self-sustained limit cycle oscillations, and divergent rolling oscillations. Ultimately, an active control model using a mass injection system was applied on the surface of the wing to suppress the self-sustained limit cycle oscillation known as wing rock. Comparisons with experimental investigations complete this study, validating the analysis and illustrating the complex details afforded by computational investigations.

Menzies, Margaret Anne↗

Essentially Non-Oscillatory and Weighted Essentially Non-Oscillatory Schemes for Hyperbolic Conservation Laws

In these lecture notes we describe the construction, analysis, and application of ENO (Essentially Non-Oscillatory) and WENO (Weighted Essentially Non-Oscillatory) schemes for hyperbolic conservation laws and related Hamilton- Jacobi equations. ENO and WENO schemes are high order accurate finite difference schemes designed for problems with piecewise smooth solutions containing discontinuities. The key idea lies at the approximation level, where a nonlinear adaptive procedure is used to automatically choose the locally smoothest stencil, hence avoiding crossing discontinuities in the interpolation procedure as much as possible. ENO and WENO schemes have been quite successful in applications, especially for problems containing both shocks and complicated smooth solution structures, such as compressible turbulence simulations and aeroacoustics. These lecture notes are basically self-contained. It is our hope that with these notes and with the help of the quoted references, the reader can understand the algorithms and code them up for applications.

Shu, Chi-Wang↗

Convective flow effects on protein crystal growth

A high-resolution microscopic interferometric setup for the monitoring of protein morphologies has been developed. Growth or dissolution of a crystal can be resolved with a long-term depth resolution of 200 A and a lateral resolution of 2 microns. This capability of simultaneously monitoring the interfacial displacement with high local depth resolution has yielded several novel results. We have found with lysozyme that (1) the normal growth rate is oscillatory, and (2) depending on the impurity content of the solution, the growth step density is either greater or lower at the periphery of a facet than in its center. The repartitioning of Na plus and Cl minus ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed, to interpret the large body of data in unified way. The results strongly suggest that (1) the ion to lysozyne ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter electron microscopy results appear to confirm this finding, which could have far-reaching consequences for x-ray diffraction studies. A computational model for diffusive-convective transport in protein crystallization has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies and our kinetics data for the growth of lysozyme. The results show that even in the small cell employed, protein concentration nonuniformities and gravity-driven solutal convection can be significant. The calculated convection velocities are of the same order to magnitude as those found in earlier experiments. As expected, convective transport, i.e., at Og, lysozyme crystal growth remains kinetically limited. The salt distribution in the crystal is predicted to be non-uniform at both 1g and 0g, as a consequence of protein depletion in the solution. Static and dynamic light scattering studies in undersaturated and supersaturated solutions have been performed. Diffusivities in undersaturated solutions, were found to vary with lysozyme concentrations. Depending on the salt concentration, the diffusivities either increase or decrease. Interestingly, the corresponding static scattering intensities behave oppositely, Our current analysis indicates that these changes are inconsistent with aggregation in undersaturated solutions. However, the data are compatible with concentration-dependent changes of the interactions between protein and salt.

Rosenberger, Franz↗

Receptivity of Supersonic Boundary Layers Due To Acoustic Disturbances Over Blunt Cones

Receptivity and stability of supersonic boundary layers over a 5-degree straight cone with a blunt tip are numerically investigated at a free stream Mach number of 3.5 and at a high Reynolds number of 106/inch. Both the steady and unsteady solutions are obtained by solving the full Navier-Stokes equations using the 5th-order accurate weighted essentially non-oscillatory (WENO) scheme for space discretization and using third-order total-variation-diminishing (TVD) Runge-Kutta scheme for time integration. The linear stability results showed that bluntness has less stabilizing effects on the stability of boundary layers over cones than on flat plates and wedges. The unsteady simulations of the interaction of plane threedimensional acoustic waves with the cone showed that the modulation of wavelength and the generation of instability waves first occurred near the leading edge in the plane where the constant acoustic phase lines are perpendicular to the cone axis. Further downstream, this instability region spreads in the azimuthal direction from this plane.

Balakumar, P.↗

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.↗

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.↗

Stability of Supersonic Boundary Layers Over Blunt Wedges

Receptivity and stability of supersonic boundary layers over blunt flat plates and wedges are numerically investigated at a free stream Mach number of 3.5 and at a high Reynolds number of 10(exp 6)/inch. Both the steady and unsteady solutions are obtained by solving the full Navier-Stokes equations using the 5th-order accurate weighted essentially non-oscillatory (WENO) scheme for space discretization and using third-order total-variation-diminishing (TVD) Runge-Kutta scheme for time integration. Computations are performed for a flat plate with leading edge thicknesses of 0.0001, 0.001, 0.005 and 0.01 inches that give Reynolds numbers based on the leading edge thickness ranging from 1000 to 10000. Calculations are also performed for a wedge of 10 degrees half angle with different leading edge radii 0.001 and 0.01 inches. The linear stability results showed that the bluntness has a strong stabilizing effect on the stability of two-dimensional boundary layers. The transition Reynolds number for a flat plate with a leading edge thickness of 0.01 inches is about 3.5 times larger than it is for the Blasius boundary layer. It was also revealed that boundary layers on blunt wedges are far more stable than on blunt flat plates.

Balakumar, Ponnampalam↗

Boundary Layer Receptivity due to Roughness and Freestream Sound for Supersonic Flows over Axisymmetric Cones

The receptivity of supersonic boundary layers due to the interaction of a two-dimensional acoustic wave with a three-dimensional roughness is numerically investigated over a 5-degree sharp tipped straight cone at a free stream Mach number of 3.5 and a high Reynolds number of 10(exp 6)/inch. Both the steady and unsteady solutions are obtained by solving the full Navier-Stokes equations using the fifth-order accurate weighted essentially non-oscillatory (WENO) scheme for spatial discretization and using third-order total-variation-diminishing (TVD) Runge-Kutta scheme for temporal integration. The simulations are performed with different roughness heights and roughness locations. The steady computations with the roughness reveal that the perturbations induced by the roughness remain very close to the wall and do not penetrate to the outer part of the boundary layer. The effects of the roughness persist for about 10 boundary layer thicknesses downstream of each element. The unsteady simulation shows the generation of unstable three-dimensional first mode disturbances within a short distance from the roughness. However, the amplitudes of the instability waves are very small near the neutral point, on the order of 10(exp -4) compared to the free stream disturbances. The receptivity coefficients due to the roughness elements located very close to the tip are one order of magnitude smaller than those due to the roughness elements located closer to the neutral point.

Balakumar, P.↗

Developmental testing resulting in a simplified liquid oxygen check valve for the Space Shuttle Main Propulsion System

The coil spring in a Space Shuttle liquid oxygen check valve failed due to cyclic fatigue in September, 1991. The dual-flapper, swing check valve is used to prevent reverse flow to the Space Shuttle Main Engines. Upon inspection of the failed component, the spring tangs were found to be missing and heavy wear was observed on the inner diameter of the spring coils. The fracture surfaces revealed that the metal had been steadily worn away until a simple overload caused the final fracture. A series of flow tests using water and a water/gas mixture was conducted to identify the flow phenomenon which produced the cyclic wear. A Plexiglas outlet housing was utilized to view the flapper behavior under different flow conditions and to aid in high speed photography. The tests revealed that flow instabilities induced two oscillatory flapper responses: a rocking mode and a chattering mode. Initially, attempts were made to reduce the spring-flapper oscillations. However, the final solution to the problem was a springless configuration which satisfied the valve's design requirements and eliminated the oscillations. The springless design relied on the inherent ability of the reverse flow momentum to close the flappers.

Aber, Gregory S.↗

Uniformly high-order accurate non-oscillatory schemes, 1

The construction and the analysis of nonoscillatory shock capturing methods for the approximation of hyperbolic conservation laws was begun. These schemes share many desirable properties with total variation diminishing schemes (TVD), but TVD schemes have at most first order accuracy, in the sense of truncation error, at extreme of the solution. A uniformly second order approximation was constucted, which is nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time. This is achieved via a nonoscillatory piecewise linear reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell.

Harten, A.↗

Development of a Performance Portable Non-Equilibrium Plasma Fluid Solver on Adaptive Grids

This presentation will describe the numerical techniques, programming paradigms, verification, and performance of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures. Our plasma fluid model solves the conservation equations for self-consistent electrostatic Poisson, electron and heavy species transport, and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive mesh management library, AMReX (Zhang et al., JOSS, 4 (37) 1370, 2019), and can be built and run on widely available vendor specific GPU architectures (NVIDIA/AMD/Intel). We utilize a non-subcycled second order semi-implicit time-stepping method where all adaptive mesh refinement (AMR) levels are advanced with the same time step. The composite multi-level multigrid solver from within AMReX is used for each of the governing equations that are cast into a Helmholtz equation form. We have also developed a python based chemical mechanism parser framework that uses a similar format as CANTERA (Goodwin et al., Zenodo, 2018) yaml files as input. Our custom parser reads the yaml file and provides C++ files with transport and production rate functions that can be executed on both host (CPU) and device (GPU). We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on low-pressure capacitive and high-pressure streamer discharges. Our initial performance studies indicate 10X speed-up using 20 NVIDIA GPUs versus 200 CPUs for an atmospheric streamer discharge problem solved on a 512 x 1024 x 512 grid.

graphics processing units↗

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.↗

The promise of multicyclic control

Several types of rotors which employ multicyclic control are reviewed and compared. Their differences are high-lighted and their potential advantages and disadvantages are discussed. The flow field these rotors must operate in is discussed, and it is shown that simultaneous elimination of vibration and oscillatory blade loads is not an inherent solution to the roughness problem. The use of rotor blades as energy absorbers is proposed. Input-output relations are considered and a gain control for ROMULAN, a multicyclic controlling computer program, is introduced. Implications of the introduction of multicyclic systems into helicopters are discussed.

Mccloud, J. L., III↗

Recovering pointwise values of discontinuous data within spectral accuracy

The pointwise values of a function, f(x), can be accurately recovered either from its spectral or pseudospectral approximations, so that the accuracy solely depends on the local smoothness of f in the neighborhood of the point x. Most notably, given the equidistant function grid values, its intermediate point values are recovered within spectral accuracy, despite the possible presence of discontinuities scattered in the domain. (Recall that the usual spectral convergence rate decelerates otherwise to first order, throughout). To this end, a highly oscillatory smoothing kernel is employed in contrast to the more standard positive unit-mass mollifiers. In particular, post-processing of a stable Fourier method applied to hyperbolic equations with discontinuous data, recovers the exact solution modulo a spectrally small error. Numerical examples are presented.

Gottlieb, D.↗