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Implicit Thermochemical Nonequilibrium Flow Simulations on Unstructured Grids using GPUs

Thermochemical nonequilibrium flow simulation capabilities have been previously implemented, verified, and validated for central processing unit (CPU) systems in NASA’s unstructured-grid computational fluid dynamics solver FUN3D. Many exascale-class high-performance computing systems will rely on graphics processing unit (GPU) architectures for high throughput and energy efficiency; thus, CPU-based scientific computing software unable to effectively utilize these systems must be updated. In this work, we present a CUDA C++ implementation of FUN3D’s thermochemical nonequilibrium flow simulation capabilities targeting NVIDIA Tesla GPUs. An overview of the porting and optimization strategy is described and performance comparisons with other recent architectures are presented. Scaling to thousands of GPUs is demonstrated, yielding computational performance equivalent to that of several million CPU cores. The implementation enables efficient, high-fidelity, scale-resolving simulations of thermochemical nonequilibrium flows for many applications including atmospheric entry, hypersonics, and combustion.

GPU

An approximate Riemann solver for thermal and chemical nonequilibrium flows

Among the many methods available for the determination of inviscid fluxes across a surface of discontinuity, the flux-difference-splitting technique that employs Roe-averaged variables has been used extensively by the CFD community because of its simplicity and its ability to capture shocks exactly. This method, originally developed for perfect gas flows, has since been extended to equilibrium as well as nonequilibrium flows. Determination of the Roe-averaged variables for the case of a perfect gas flow is a simple task; however, for thermal and chemical nonequilibrium flows, some of the variables are not uniquely defined. Methods available in the literature to determine these variables seem to lack sound bases. The present paper describes a simple, yet accurate, method to determine all the variables for nonequilibrium flows in the Roe-average state. The basis for this method is the requirement that the Roe-averaged variables form a consistent set of thermodynamic variables. The present method satisfies the requirement that the square of the speed of sound be positive.

Prabhu, Ramadas K.

Application of Dorodnitsyn's Integral Method to Nonequilibrium Flows over Pointed Bodies

Dorodnitsyn's integral method is used to obtain an approximate solution to the supersonic nonequilibrium flow over pointed bodies with attached shock waves. The partial differential equations governing the flow are converted to an approximate set of ordinary equations, which are solved by numerical integration starting at the body tip. Detailed analytical and numerical results for the first approximation are presented, considering the vibrational relaxation of a diatomic gas over a wedge or cone. It is shown that the first approximation yields: (1) The exact flow-variable gradients at the wedge tip (2) Expressions for the flow-variable gradients at the cone tip which are in agreement with extrapolations of characteristics calculations (3) A good approximate algebraic solution for frozen or equilibrium conical flow (4) An approximate expression for the nonequilibrium-flow stream function which affords a means of obtaining variations across the shock layer of the temperature and vibrational energy. Numerical results for both the wedge and cone compare favorably with identical cases computed by the method of characteristics.

NONEQUILIBRIUM FLOW

Similitude requirements for hypersonic, rarefied, nonequilibrium flow

Similitude requirements for hypersonic, rarefied flow with nonequilibrium chemistry and vibration are presented. The full Navier-Stokes equations with catalytic or noncatalytic walls and with or without slip conditions are nondimensionalized. The heat transfer coefficient is written in terms of fourteen dimensionless parameters and reduced to four by making the binary scaling assumption. Duplication of blunt and sharp nose heat transfer requires the use of air over a geometrically similar model with the same free stream velocity, wall temperature and product of free stream density and characteristic length. Estimates of this heat transfer coefficient are also presented.

Hendricks, W. L.

Application of program LAURA to thermochemical nonequilibrium flow through a nozzle

Program LAURA (Langley Aerothermodynamic Upwind Relaxation Algorithm) is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3D viscous hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite-volume formulation in which the inviscid components of flux across cell walls are described with a modified Roe's averaging and with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. The code has been applied to Problem 8.2 of this workshop for the case of thermochemical nonequilibrium flow through a nozzle. Chemical reaction rates are defined with the model of Park (1987). Thermal nonequilibrium is modeled using a two-temperature approximation in which the vibrational energies of all molecules are assumed to be in equilibrium at a single temperature which is generally different from the translational-rotational temperature. Two grids were used to define the flow for the original problem, with a stagnation temperature of 6500 K. A third case with a stagnation temperature of 10,000 K is also presented. The solution domain includes the converging nozzle, subsonic flow domain in which the gas is substantially in thermochemical equilibrium and the diverging nozzle, hypersonic flow domain in which the gas is substantially in thermochemical nonequilibrium.

Gnoffo, Peter A.

Nonequilibrium flow calculations for the hydrogen constricted arc

A nonequilibrium flow model has been formulated and solved numerically for conditions in an atomic hydrogen cascade arc. Solutions show that although thermal nonequilibrium effects are minor, the departure from chemical equilibrium is significant. Comparisons with results obtained from an equilibrium flow model reveal the deficiencies associated with such a model and parametric calculations reveal the effect of current, pressure, and radius on arc behavior.

Scott, R. K.

A review of detailed comparisons between experiments and DSMC calculations in nonequilibrium flows

Results are reviewed from several sources on a detailed validation by experiment of the DSMC technique for the prediction of nonequilibrium flows of monatomic gases. The validation is used as a basis for using the DSMC technique to conduct numerical experiments in low Mach number shock waves to investigate the Mach number limits on the applicability of the Navier-Stokes equations. It is noted that sufficient data exist to undertake a similar, initial validation of nonequilibrium flows of nitrogen to study details of rotational energy transfer.

Erwin, D. A.

Nonequilibrium flow computations. 1: An analysis of numerical formulations of conservation laws

Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, nonequilibrium flows. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer Flux-vector splittings, and Roe's approximate Riemann solver are presented for 3-D, time-varying grids. The analysis is based on a thermodynamic model that includes the most general thermal and chemical nonequilibrium flow of an arbitrary gas. Various special cases are also discussed.

Liu, Yen