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Multiple grid problems on concurrent-processing computers

Three computer codes were studied which make use of concurrent processing computer architectures in computational fluid dynamics (CFD). The three parallel codes were tested on a two processor multiple-instruction/multiple-data (MIMD) facility at NASA Ames Research Center, and are suggested for efficient parallel computations. The first code is a well-known program which makes use of the Beam and Warming, implicit, approximate factored algorithm. This study demonstrates the parallelism found in a well-known scheme and it achieved speedups exceeding 1.9 on the two processor MIMD test facility. The second code studied made use of an embedded grid scheme which is used to solve problems having complex geometries. The particular application for this study considered an airfoil/flap geometry in an incompressible flow. The scheme eliminates some of the inherent difficulties found in adapting approximate factorization techniques onto MIMD machines and allows the use of chaotic relaxation and asynchronous iteration techniques. The third code studied is an application of overset grids to a supersonic blunt body problem. The code addresses the difficulties encountered when using embedded grids on a compressible, and therefore nonlinear, problem. The complex numerical boundary system associated with overset grids is discussed and several boundary schemes are suggested. A boundary scheme based on the method of characteristics achieved the best results.

Eberhardt, D. S.↗

Higher Order Time Integration Schemes for the Unsteady Navier-Stokes Equations on Unstructured Meshes

The rapid increase in available computational power over the last decade has enabled higher resolution flow simulations and more widespread use of unstructured grid methods for complex geometries. While much of this effort has been focused on steady-state calculations in the aerodynamics community, the need to accurately predict off-design conditions, which may involve substantial amounts of flow separation, points to the need to efficiently simulate unsteady flow fields. Accurate unsteady flow simulations can easily require several orders of magnitude more computational effort than a corresponding steady-state simulation. For this reason, techniques for improving the efficiency of unsteady flow simulations are required in order to make such calculations feasible in the foreseeable future. The purpose of this work is to investigate possible reductions in computer time due to the choice of an efficient time-integration scheme from a series of schemes differing in the order of time-accuracy, and by the use of more efficient techniques to solve the nonlinear equations which arise while using implicit time-integration schemes. This investigation is carried out in the context of a two-dimensional unstructured mesh laminar Navier-Stokes solver.

Jothiprasad, Giridhar↗

An Explicit Upwind Algorithm for Solving the Parabolized Navier-Stokes Equations

An explicit, upwind algorithm was developed for the direct (noniterative) integration of the 3-D Parabolized Navier-Stokes (PNS) equations in a generalized coordinate system. The new algorithm uses upwind approximations of the numerical fluxes for the pressure and convection terms obtained by combining flux difference splittings (FDS) formed from the solution of an approximate Riemann (RP). The approximate RP is solved using an extension of the method developed by Roe for steady supersonic flow of an ideal gas. Roe's method is extended for use with the 3-D PNS equations expressed in generalized coordinates and to include Vigneron's technique of splitting the streamwise pressure gradient. The difficulty associated with applying Roe's scheme in the subsonic region is overcome. The second-order upwind differencing of the flux derivatives are obtained by adding FDS to either an original forward or backward differencing of the flux derivative. This approach is used to modify an explicit MacCormack differencing scheme into an upwind differencing scheme. The second order upwind flux approximations, applied with flux limiters, provide a method for numerically capturing shocks without the need for additional artificial damping terms which require adjustment by the user. In addition, a cubic equation is derived for determining Vegneron's pressure splitting coefficient using the updated streamwise flux vector. Decoding the streamwise flux vector with the updated value of Vigneron's pressure splitting improves the stability of the scheme. The new algorithm is applied to 2-D and 3-D supersonic and hypersonic laminar flow test cases. Results are presented for the experimental studies of Holden and of Tracy. In addition, a flow field solution is presented for a generic hypersonic aircraft at a Mach number of 24.5 and angle of attack of 1 degree. The computed results compare well to both experimental data and numerical results from other algorithms. Computational times required for the upwind PNS code are approximately equal to an explicit PNS MacCormack's code and existing implicit PNS solvers.

Korte, John J.↗

An analysis of errors in special sensor microwave imager evaporation estimates over the global oceans

The method proposed by Liu (1984) is used to estimate monthly averaged evaporation over the global oceans from 1 yr of special sensor microwave imager (SDSM/I) data. Intercomparisons involving SSM/I and in situ data are made over a wide range of oceanic conditions during August 1987 and February 1988 to determine the source of errors in the evaporation estimates. The most significant spatially coherent evaporation errors are found to come from estimates of near-surface specific humidity, q. Systematic discrepancies of over 2 g/kg are found in the tropics, as well as in the middle and high latitudes. The q errors are partitioned into contributions from the parameterization of q in terms of the columnar water vapor, i.e., the Liu q/W relationship, and from the retrieval algorithm for W. The effects of W retrieval errors are found to be smaller over most of the global oceans and due primarily to the implicitly assumed vertical structures of temperature and specific humidity on which the physically based SSM/I retrievals of W are based.

Esbensen, S. K.↗

Aeroelastic System Development Using Proper Orthogonal Decomposition and Volterra Theory

This research combines Volterra theory and proper orthogonal decomposition (POD) into a hybrid methodology for reduced-order modeling of aeroelastic systems. The out-come of the method is a set of linear ordinary differential equations (ODEs) describing the modal amplitudes associated with both the structural modes and the POD basis functions for the uid. For this research, the structural modes are sine waves of varying frequency, and the Volterra-POD approach is applied to the fluid dynamics equations. The structural modes are treated as forcing terms which are impulsed as part of the uid model realization. Using this approach, structural and uid operators are coupled into a single aeroelastic operator. This coupling converts a free boundary uid problem into an initial value problem, while preserving the parameter (or parameters) of interest for sensitivity analysis. The approach is applied to an elastic panel in supersonic cross ow. The hybrid Volterra-POD approach provides a low-order uid model in state-space form. The linear uid model is tightly coupled with a nonlinear panel model using an implicit integration scheme. The resulting aeroelastic model provides correct limit-cycle oscillation prediction over a wide range of panel dynamic pressure values. Time integration of the reduced-order aeroelastic model is four orders of magnitude faster than the high-order solution procedure developed for this research using traditional uid and structural solvers.

Lucia, David J.↗

Development of a 3-D upwind PNS code for chemically reacting hypersonic flowfields

Two new parabolized Navier-Stokes (PNS) codes were developed to compute the three-dimensional, viscous, chemically reacting flow of air around hypersonic vehicles such as the National Aero-Space Plane (NASP). The first code (TONIC) solves the gas dynamic and species conservation equations in a fully coupled manner using an implicit, approximately-factored, central-difference algorithm. This code was upgraded to include shock fitting and the capability of computing the flow around complex body shapes. The revised TONIC code was validated by computing the chemically-reacting (M(sub infinity) = 25.3) flow around a 10 deg half-angle cone at various angles of attack and the Ames All-Body model at 0 deg angle of attack. The results of these calculations were in good agreement with the results from the UPS code. One of the major drawbacks of the TONIC code is that the central-differencing of fluxes across interior flowfield discontinuities tends to introduce errors into the solution in the form of local flow property oscillations. The second code (UPS), originally developed for a perfect gas, has been extended to permit either perfect gas, equilibrium air, or nonequilibrium air computations. The code solves the PNS equations using a finite-volume, upwind TVD method based on Roe's approximate Riemann solver that was modified to account for real gas effects. The dissipation term associated with this algorithm is sufficiently adaptive to flow conditions that, even when attempting to capture very strong shock waves, no additional smoothing is required. For nonequilibrium calculations, the code solves the fluid dynamic and species continuity equations in a loosely-coupled manner. This code was used to calculate the hypersonic, laminar flow of chemically reacting air over cones at various angles of attack. In addition, the flow around the McDonnel Douglas generic option blended-wing-body was computed and comparisons were made between the perfect gas, equilibrium air, and the nonequilibrium air results.

Tannehill, J. C.↗

Implicit Large-Eddy Simulations of Hot and Cold Supersonic Jets in Loci-CHEM

Turbulence is a critical factor in most aero- and propulsion-related flows. For many years, the industry-standard approach to incorporating the effect of turbulence in computational fluid dynamics (CFD)calculations has been the Reynolds Averaged Navier Stokes (RANS) modeling approach. RANS implicitly time-averages turbulent motion, and models its effect on the mixing of species, momentum, and energy in a flow field. The approach is economical and often allows a CFD calculation to proceed to steady-state. However, it makes several simplifying assumptions, and the results will only be as good as the RANS turbulence model. Meanwhile, the last two decades have witnessed rapid and explosive growth in computational power, the development of CFD codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. CFD engineering calculations of 108– 109 finite-volume cells have become routine. Thus, large eddy simulation (LES), which attempts to directly resolve the unsteady motion of the largest scales of turbulence, is increasingly of interest for many fluids engineering problems. Additionally, hybrid RANS-LES approaches such as Spalart’s Detached Eddy Simulation (DES), which attempt to marry the best strengths of both methods, are in active use and development. Because it seeks to accurately resolve the unsteady motion of the largest scales of turbulence, LES places certain requirements on the numerical method used to discretize and advance the Navier Stokes equations. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide range of length scales.

C I Morris↗

Prediction of turbine rotor-stator interaction using Navier-Stokes methods

Flows in turbomachinery are generally complex and do not easily lend themselves to numerical computation. The flows are three-dimensional and inherently unsteady. Complicated blade geometries and flow phenomena such as separation and periodic transition from laminar to turbulent flow add to the numerical complexity. Nevertheless, the accurate numerical analysis of such flows is a problem of considerable interest and practical importance to the turbomachinery community. Much of the early work in turbomachinery flow prediction focussed on airfoil cascades. While such analyses of flows in isolated airfoil rows have helped improve understanding of the flow phenomena and have gained widespread acceptance in the industrial community as a design tool, they do not yield any information regarding the unsteady effects arising out of rotor-stator aerodynamic interaction. These interaction effects become increasingly important as the distance between successive stator and rotor rows is decreased. Thus, the need exists for analytical tools that treat the rotor and stator airfoils as a system and provide information regarding the magnitude and the impact of the unsteady effects. The focus a three-dimensional, time-accurate, thin-layer Navier-Stokes code that was recently developed to study rotor-stator interaction problems. A system of patched and overlaid grids that move relative to each other is used to discretize the flow field and the governing equations are integrated using a third-order upwind scheme set in an iterative, implicit framework. The code was used to simulate subsonic flow through an axial turbine configuration for which considerable experimental data exists. Grid refinement studies were also conducted as part of the code validation process. The current status of the research, along with planned future directions, are also discussed.

Madavan, Nateri K.↗

Calculation of Supersonic Combustion Using Implicit Schemes

One of the technology goals of NASA for advanced space transportation is to develop highly efficient propulsion systems to reduce the cost of payload for space missions. Developments of rockets for the second generation Reusable Launch Vehicle (RLV) in the past several years have been focused on low-cost versions of conventional engines. However, recent changes in the Integrated Space Transportation Program to build a crew transportation vehicle to extend the life of the Space Shuttle fleet might suggest that air-breathing rockets could reemerge as a possible propulsion system for the third generation RLV to replace the Space Shuttle after 2015. The weight of the oxygen tank exceeds thirty percent of the total weight of the Space Shuttle at launch while the payload is only one percent of the total weight. The air-breathing rocket propulsion systems, which consume oxygen in the air, offer clear advantages by making vehicles lighter and more efficient. Experience in the National Aerospace Plane Program in the late 1980s indicates that scramjet engines can achieve high specific impulse for low hypersonic vehicle speeds. Whether taking a form of Rocket Based Combined Cycle (RBCC) or Turbine Based Combined Cycle (TBCC), the scramjet is an essential mode of operation for air-breathing rockets. It is well known that fuel-air mixing and rapid combustion are of crucial importance for the success of scramjet engines since the spreading rate of the supersonic mixing layer decreases as the Mach number increases. A factored form of the Gauss-Seidel relaxation method has been widely used in hypersonic flow research since its first application to non-equilibrium flows. However, difficulties in stability and convergence have been encountered when there is strong interaction between fluid motion and chemical reaction, such as multiple fuel injection problems. The present paper reports the results from investigation of the effect of modifications to the original algorithm on the performance for multiple injectors.

Yoon, Seokkwan↗

Interlaminar stress analysis of dropped-ply laminated plates and shells by a mixed method

A mixed method of approximation based on Reissner's variational principle is developed for the linear analysis of interlaminar stresses in laminated composites, with special interest in laminates that contain terminated internal plies (dropped-ply laminates). Two models are derived, one for problems of generalized plane deformation and the other for the axisymmetric response of shells of revolution. A layerwise approach is taken in which the stress field is assumed with an explicit dependence on the thickness coordinate in each layer. The dependence of the stress field on the thickness coordinate is determined such that the three-dimensional equilibrium equations are satisfied by the approximation. The solution domain is reduced to one dimension by integration through the thickness. Continuity of tractions and displacements between layers is imposed. The governing two-point boundary value problem is composed of a system of both differential and algebraic equations (DAE's) and their associated boundary conditions. Careful evaluation of the system of DAE's was required to arrive at a form that allowed application of a one-step finite difference approximation. A two-stage Gauss implicit Runge-Kutta finite difference scheme was used for the solution because of its relatively high degree of accuracy. Patch tests of the two models revealed problems with solution accuracy for the axisymmetric model of a cylindrical shell loaded by internal pressure. Parametric studies of dropped-ply laminate characteristics and their influence on the interlaminar stresses were performed using the generalized plane deformation model. Eccentricity of the middle surface of the laminate through the ply drop-off was found to have a minimal effect on the interlaminar stresses under longitudinal compression, transverse tension, and in-plane shear. A second study found the stiffness change across the ply termination to have a much greater influence on the interlaminar stresses.

Harrison, Peter N.↗

Computational Investigation and Validation of Twin-Tail Buffet Response Including Dynamics and Control

Multidisciplinary tools for prediction of single rectangular-tail buffet are extended to single swept-back-tail buffet in transonic-speed flow, and multidisciplinary tools for prediction and control of twin-tail buffet are developed and presented. The configuration model consists of a sharp-edged delta wing with single or twin tails that are oriented normal to the wing surface. The tails are treated as cantilevered beams fixed at the root and allowed to oscillate in both bending and torsion. This complex multidisciplinary problem is solved sequentially using three sets of equations on a dynamic single or multi-block grid structure. The first set is the unsteady, compressible, Reynolds-averaged Navier-Stokes equations which are used for obtaining the flow field vector and the aerodynamic loads on the tails. The Navier-Stokes equations are solved accurately in time using the implicit, upwind, flux-difference splitting, finite volume scheme. The second set is the coupled bending and torsion aeroelastic equations of cantilevered beams which are used for obtaining the bending and torsion deflections of the tails. The aeroelastic equations'are solved accurately in time using, a fifth-order-accurate Runge-Kutta scheme. The third set is the grid-displacement equations and the rigid-body dynamics equations, which are used for updating the grid coordinates due to the tail deflections and rigid-body motions. The tail-buffet phenomenon is predicted for highly-swept, single vertical tail placed at the plane of geometric symmetry, and for highly-swept, vertical twin tails placed at three different spanwise separation distances. The investigation demonstrates the effects of structural inertial coupling and uncoupling of the bending and torsion modes of vibration, spanwise positions of the twin-tail, angle of attack, and pitching and rolling dynamic motions of the configuration model on the tail buffet loading and response. The fundamental issue of twin-tail buffet alleviation is addressed using two active flow-control methods. These methods are the tangential leading-edge blowing and the flow suction from the leading-edge vortex cores along their paths. Qualitative and quantitative comparisons with the available experimental data are presented. The comparisons indicate that the present multidisciplinary aeroelastic analysis tools are robust, accurate and efficient.

Kandil, Osama A.↗

On three dimensional object recognition and pose-determination: An abstraction based approach

A method of computing reliable Gaussian and mean curvature sign-map descriptors from the polynomial approximation of surfaces was demonstrated. Such descriptors which are invariant under perspective variation are suitable for hypothesis generation. A means for determining the pose of constructed geometric forms whose algebraic surface descriptors are nonlinear in terms of their orienting parameters was developed. This was done by means of linear functions which are capable of approximating nonlinear forms and determining their parameters. It was shown that biquadratic surfaces are suitable companion linear forms for cylindrical approximation and parameter estimation. The estimates provided the initial parametric approximations necessary for a nonlinear regression stage to fine tune the estimates by fitting the actual nonlinear form to the data. A hypothesis-based split-merge algorithm for extraction and pose determination of cylinders and planes which merge smoothly into other surfaces was developed. It was shown that all split-merge algorithms are hypothesis-based. A finite-state algorithm for the extraction of the boundaries of run-length regions was developed. The computation takes advantage of the run list topology and boundary direction constraints implicit in the run-length encoding.

Quek, Kok How Francis↗

TPSAS-NF1676L-18030-DND

This study investigated the relative acceptance of different avionics implementations that present Flightdeck Interval Management (FIM) speeds and speed deviations to commercial pilots, and for indications of conditions that require action. Each crew evaluated four Avionics conditions: (1) Integrated in which the FIM target speed was presented in the upper left corner of the primary flight display (PFD) and speed profile deviation information was implicitly indicated as the deviation between current speed and an instantaneous speed profile bug on the PFD speed tape. In this Avionics condition, clearance information would have been entered, and could be referenced, on the FIM page in the MCDU. This page also gave a digital readout of speed profile deviation. Significant deviations from the speed profile triggered a message on the EICAS system. (2) EFB-Aft in which an aft-mounted EFB was used as the device housing the FIM algorithm and presented all the relevant information for the operation, including speed targets, speed deviation information, and all elements of the IM clearance. Significant deviations from the speed profile triggered messages on the same EFB display. (3) EFB-Fore in which the same information was presented as in the EFB-Aft condition, but the display was mounted in a more forward location, just under the outboard window. (4) EFB-Aft-AGD in which the EFB-Aft condition was augmented with the ADS-B Guidance Display (AGD). The AGD repeats the same FIM target speed and speed deviation information provided on the EFB. This study compares the efficacy of these Avionics Conditions as well as three methods of annunciating FIM events (a new speed, a reminder that a new speed occurred, and a deviation from the FIM speed profile), using only visual indications, visual indications and an aural for all events, or visual indications for all events plus an aural for speed deviations only. Results show clear preference for the Integrated condition and the use of aural indications. Other metrics of performance using these conditions and methods are mixed.

Kara Latorella↗

Comparison of Two Approaches to Constructing Second- and Third-Order Nodal-Gradient Cell-Centered Finite-Volume Methods for Mixed-Element Grids

In this paper, we introduce a third-order nodal-gradient cell-centered finite volume scheme applicable to mixed-element grids based on a single numerical flux per face. Previously, we considered a split-quadrilateral-face approach, where we split each quadrilateral face of a non-tetrahedral cell into two triangles and then apply second- and third-order schemes designed for tetrahedral grids. This approach is relatively simple to implement but expensive because it requires two numerical flux evaluations per quadrilateral face. In this study, we consider another approach, where the surface flux quadrature is performed with a single numerical flux per face with flux corrections. It requires a 3×3 correction matrix to be stored at each face but is more economical than the split-quadrilateral-face approach. The two approaches are compared for three-dimensional flows on irregular hexahedral grids, and their relative merits are discussed.

Third-order scheme↗

Use of midlatitude soil moisture and meteorological observations to validate soil moisture simulations with biosphere and bucket models

Soil moisture observations in sites with natural vegetation were made for several decades in the former Soviet Union at hundreds of stations. In this paper, the authors use data from six of these stations from different climatic regimes, along with ancillary meteorological and actinometric data, to demonstrate a method to validate soil moisture simulations with biosphere and bucket models. Some early and current general circulation models (GCMs) use bucket models for soil hydrology calculations. More recently, the Simple Biosphere Model (SiB) was developed to incorporate the effects of vegetation on fluxes of moisture, momentum, and energy at the earth's surface into soil hydrology models. Until now, the bucket and SiB have been verified by comparison with actual soil moisture data only on a limited basis. In this study, a Simplified SiB (SSiB) soil hydrology model and a 15-cm bucket model are forced by observed meteorological and actinometric data every 3 h for 6-yr simulations at the six stations. The model calculations of soil moisture are compared to observations of soil moisture, literally 'ground truth,' snow cover, surface albedo, and net radiation, and with each other. For three of the stations, the SSiB and 15-cm bucket models produce good simulations of seasonal cycles and interannual variations of soil moisture. For the other three stations, there are large errors in the simulations by both models. Inconsistencies in specification of field capacity may be partly responsible. There is no evidence that the SSiB simulations are superior in simulating soil moisture variations. In fact, the models are quite similar since SSiB implicitly has a bucket embedded in it. One of the main differences between the models is in the treatment of runoff due to melting snow in the spring -- SSiB incorrectly puts all the snowmelt into runoff. While producing similar soil moisture simulations, the models produce very different surface latent and sensible heat fluxes, which would have large effects on GCM simulations.

Robock, Alan↗

Prediction of Transitional Flows in the Low Pressure Turbine

Current turbulence models tend to give too early and too short a length of flow transition to turbulence, and hence fail to predict flow separation induced by the adverse pressure gradients and streamline flow curvatures. Our discussion will focus on the development and validation of transition models. The baseline data for model comparisons are the T3 series, which include a range of free-stream turbulence intensity and cover zero-pressure gradient to aft-loaded turbine pressure gradient flows. The method will be based on the conditioned N-S equations and a transport equation for the intermittency factor. First, several of the most popular 2-equation models in predicting flow transition are examined: k-e [Launder-Sharina], k-w [Wilcox], Lien-Leschiziner and SST [Menter] models. All models fail to predict the onset and the length of transition, even for the simplest flat plate with zero-pressure gradient(T3A). Although the predicted onset position of transition can be varied by providing different inlet turbulent energy dissipation rates, the appropriate inlet conditions for turbulence quantities should be adjusted to match the decay of the free-stream turbulence. Arguably, one may adjust the low-Reynolds-number part of the model to predict transition. This approach has so far not been very successful. However, we have found that the low-Reynolds-number model of Launder and Sharma [1974], which is an improved version of Jones and Launder [1972] gave the best overall performance. The Launder and Sharma model was designed to capture flow re-laminarization (a reverse of flow transition), but tends to give rise to a too early and too fast transition in comparison with the physical transition. The three test cases were for flows with zero pressure gradient but with different free-stream turbulent intensities. The same can be said about the model when considering flows subject to pressure gradient(T3C1). To capture the effects of transition using existing turbulence models, one approach is to make use of the concept of the intermittency to predict the flow transition. It was originally based on the intermittency distribution of Narasimha [1957], and then gradually evolved into a transport equation for the intermittency factor. Gostelow and associates [1994,1995] have made some improvements to Narasimha's method in an attempt to account for both favorable and adverse pressure gradients. Their approach is based on a linear, explicit combination of laminar and turbulent solutions. This approach fails to predict the overshoot of the skin friction on a flat plate near the end of transition zone, even though the length of transition is well predicted. The major flaw of Gostelow's approach is that it assumes the non-turbulent part being the laminar solution and the turbulent part being the turbulent solution and they do not interact across the transitional region. The technique in condition averaging the flow equations in intermittent flows was first introduced by Libby [1975] and Dopazo [1977] and further refined by Dick and associates [1988, 1996]. This approach employs two sets of transport equations for the non-turbulent part and the other for the turbulent part. The advantage of this approach is that it allows the interaction of non-turbulent and turbulent velocities through the introduction of additional source terms in the continuity and momentum equations for the non-turbulent and turbulent velocities. However, the strong coupling of the two sets of equations has caused some numerical difficulties, which requires special attention. The prediction of the skin friction can be improved by this approach via the implicit coupling of non-turbulent and turbulent velocity flelds. Another improvement of the interrmittency model can be further made by allowing the intermittency to vary in the cross-stream direction. This is one step prior to testing any proposal for the transport equation for the intermittency factor. Instead of solving the transport equation for the intermittency factor, the distribution for the intermittency factor is prescribed by Klebanoff's empirical formula [1955]. The skin friction is very well predicted by this new modification, including the overshoot of the profile near the end of the transition zone. The outcome of this study is very encouraging since it indicates that the proper description of the intermittency distribution is the key to the success of the model prediction. This study will be used to guide us on the modelling of the intermittency transport equation.

Huang, George↗

Chemical Thermodynamics and the Mathematical Integration of Reaction Kinetics

Key advances in the development of numerical methods for non-reacting compressible flows have been enabled by translating physical requirements into concrete numerical guidelines, such as the satisfaction of entropy inequalities for shock-capturing techniques [Lax, Contributions to Nonlinear Functional Analysis (1971) 603-634]. In the present work, we present nonlinear numerical analysis tools that draw from Chemical Thermodynamics , the branch of Nonequilibrium Thermodynamics that deals with chemical reactions. Through Gibbs formalism, chemical thermodynamics provides a well-known theoretical expression for the chemical equilibrium constant of a reaction in terms of reduced chemical potentials. A less-known, yet extremely valuable result, due to [Krambeck, Arch. Ration. Mech. Anal. , 38 (1970) 317], states that when this expression is implemented, mass-action kinetic models are consistent with the dynamical prescriptions of the 2nd law of thermodynamics. For fixed-temperature ordinary differential equations modeling constant-volume reacting gas mixtures, this leads to a decreasing Helmholtz free energy. If the temperature is allowed to vary in accordance with conservation of energy (1st law), this leads to the statement of increasing entropy. These nonlinear prescriptions can, and should be, used to further develop temporal integration techniques for reaction kinetics. We demonstrate that Krambeck's result holds even when the equilibrium constants are approximated from data. We prove this result by constructing the implicit free energy and the implicit entropy inherent to a given approximation. This is first done for a 5-species, 17-reaction model problem for air. With this structure established, elements of discrete entropy-stability theory [Tadmor, Acta Numer. , 12 (2003) 451] are leveraged to examine the consistency of time-integration schemes with these prescriptions. Using chemical potentials, one can compute the respective contributions of the kinetics model and of the temporal scheme to free energy/entropy variations. We introduce a nonlinear-stable version of the Discontinuous-Galerkin (DG) scheme in time which shows robustness improvements over the standard linearly-stable version. Most notably, the maximum timestep that can be resolved with the nonlinearly-stable variant tends to grow with polynomial order, in contrast to the linearly-stable variant. We generalize our constructions to arbitrary systems of reversible chemical reactions, ultimately showing that the compressible reacting Euler system admits the opposite of the implicitly constructed thermodynamic entropy as a mathematical entropy . This lays important theoretical foundations towards robust scheme development [Harten, J. Comput. Phys. 49 (1983) 151-164].

STMD↗

A New Cell-Centered Implicit Numerical Scheme for Ions in the 2-D Axisymmetric Code Hall2de

We present a new algorithm in the Hall2De code to simulate the ion hydrodynamics in the acceleration channel and near plume regions of Hall-effect thrusters. This implementation constitutes an upgrade of the capabilities built in the Hall2De code. The equations of mass conservation and momentum for unmagnetized ions are solved using a conservative, finite-volume, cell-centered scheme on a magnetic-field-aligned grid. Major computational savings are achieved by making use of an implicit predictor/multi-corrector algorithm for time evolution. Inaccuracies in the prediction of the motion of low-energy ions in the near plume in hydrodynamics approaches are addressed by implementing a multi-fluid algorithm that tracks ions of different energies separately. A wide range of comparisons with measurements are performed to validate the new ion algorithms. Several numerical experiments with the location and value of the anomalous collision frequency are also presented. Differences in the plasma properties in the near-plume between the single fluid and multi-fluid approaches are discussed. We complete our validation by comparing predicted erosion rates at the channel walls of the thruster with measurements. Erosion rates predicted by the plasma properties obtained from simulations replicate accurately measured rates of erosion within the uncertainty range of the sputtering models employed.

electric propulsion↗