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At least 145 records · Page 8

New integration techniques for chemical kinetic rate equations. I - Efficiency comparison

A comparison of the efficiency of several recently developed numerical techniques for solving chemical kinetic rate equations is presented. The solution procedures examined include two general-purpose codes, EPISODE and LSODE, developed as multipurpose differential equation solvers, and three specialzed codes, CHEMEQ, CREK1D, and GCKP84, developed specifically for chemical kinetics. The efficiency comparison is made by applying these codes to two practical combustion kinetics problems. Both problems describe adiabatic, constant-pressure, gas-phase chemical reactions and include all three combustion regimes: induction, heat release, and equilibration. The comparison shows that LSODE is the fastest routine currently available for solving chemical kinetic rate equations. An important finding is that an iterative solution of the algebraic enthalpy conservation equation for temperature can be significantly faster than evaluation of the temperature by integration of its time derivative. Significant increases in computational speed are realized by updating the reaction rate constants only when the temperature change exceeds an amount Delta-T that is problem dependent. An approximate expression for the automatic evaluation of Delta-T is presented and is shown to result in increased computational speed.

Radhakrishnan, K.↗

A pressure correction method for the calculation of compressible chemical reacting flows

A recently developed noniterative method for the solution of the transient fluid flow equations at all speed is extended to handle chemical reacting flows. The species conservation equations are loosely coupled into the predictor/multicorrector sequence of the solution procedure. A split-operator method separates the chemical kinetics terms from the fluid-dynamical terms, as well as an implicit differencing method enhance the numerical stability. The method was applied for turbulent diffusion flame calculations and for the analyses of high pressure, axisymmetric turbulent hypersonic nozzle flows. The diffusion flame results were compared with a similar pressure method for fast chemistry integration scheme without operator-splitting. Simulations of the nozzle flow indicated that the nonideal intermolecular effects must be included in the analysis and design of high pressure hypersonic nozzle.

Chen, Z. J.↗

A New Formulation of Time Domain Boundary Integral Equation for Acoustic Wave Scattering in the Presence of a Uniform Mean Flow

It has been well-known that under the assumption of a constant uniform mean flow, the acoustic wave propagation equation can be formulated as a boundary integral equation, in both the time domain and the frequency domain. Compared with solving partial differential equations, numerical methods based on the boundary integral equation have the advantage of a reduced spatial dimension and, hence, requiring only a surface mesh. However, the constant uniform mean flow assumption, while convenient for formulating the integral equation, does not satisfy the solid wall boundary condition wherever the body surface is not aligned with the uniform mean flow. In this paper, we argue that the proper boundary condition for the acoustic wave should not have its normal velocity be zero everywhere on the solid surfaces, as has been applied in the literature. A careful study of the acoustic energy conservation equation is presented that shows such a boundary condition in fact leads to erroneous source or sink points on solid surfaces not aligned with the mean flow. A new solid wall boundary condition is proposed that conserves the acoustic energy and a new time domain boundary integral equation is derived. In addition to conserving the acoustic energy, another significant advantage of the new equation is that it is considerably simpler than previous formulations. In particular, tangential derivatives of the solution on the solid surfaces are no longer needed in the new formulation, which greatly simplifies numerical implementation. Furthermore, stabilization of the new integral equation by Burton-Miller type reformulation is presented. The stability of the new formulation is studied theoretically as well as numerically by an eigenvalue analysis. Numerical solutions are also presented that demonstrate the stability of the new formulation.

Hu, Fang↗

An implicit marching procedure for the treatment of supersonic flow fields using the conservative full potential equation

A new aerodynamic prediction technique based on the conservative full potential equation is developed for the treatment of supersonic flow fields. This new technique bridges the gap between simplistic linear theory methods and complex Euler solvers. A novel local density linearization concept and a second order accurate retarded density scheme, both producing the correct artificial viscosity, are introduced in developing an implicit marching scheme for solving the scalar phi. The method produces results that compare well with Euler solvers and requires an order of magnitude less computer time and significantly less computer memory over existing nonlinear codes. The scalar phi formulation can be extended to handle subsonic pockets in the marching direction and also is suitable for developing inverse procedures where the shape corresponding to a prescribed loading is sought.

Shankar, V.↗

Monte-Carlo Analysis of Minimum Thermocouple Depths using Icarus

Icarus is a three-dimensional, unstructured, finite-volume material response solver developed at NASA Ames Research Center and has been verified against other NASA material response tools like FIAT, which have a long history of successfully designing thermal protection system (TPS). Icarus solves a set of conservation equations for mass and energy and uses Darcy’s Law in place of momentum conservation. An ecosystem of material response tools has been built around a general-purposed Icarus library that in addition to the typical material response analysis also supports TPS sizing (1-D and multi-dimensional), uncertainty quantification, and has been successfully integrated into a multi-physics architecture built around US3D. In this paper, a brief overview of Icarus and its capabilities will be presented using an illustrative Monte Carlo analysis of the one-dimensional, in-depth material response of a representative Dragonfly trajectory.

Material Response↗

Monte-Carlo Analysis of Minimal Thermocouple Depths using Icarus

Icarus is a three-dimensional, unstructured, finite-volume material response solver developed at NASA Ames Research Center \cite{Schulz_2017} and has been verified against other NASA material response tools like FIAT, which have a long history of successfully designing thermal protection system (TPS). Icarus solves a set of conservation equations for mass and energy and uses Darcy’s Law in place of momentum conservation. An ecosystem of material response tools has been built around a general-purposed Icarus library that in addition to the typical material response analysis also supports TPS sizing (1-D and multi-dimensional), uncertainty quantification, and has been successfully integrated into a multi-physics architecture built around US3D \cite{Schroeder_2021}. In this paper, a brief overview of Icarus and its capabilities will be presented using an illustrative Monte Carlo analysis of the one-dimensional, in-depth material response of a representative Dragonfly trajectory.

Material Response↗

Semi-Analytic Reconstruction of Flux in Finite Volume Formulations

Semi-analytic reconstruction uses the analytic solution to a second-order, steady, ordinary differential equation (ODE) to simultaneously evaluate the convective and diffusive flux at all interfaces of a finite volume formulation. The second-order ODE is itself a linearized approximation to the governing first- and second- order partial differential equation conservation laws. Thus, semi-analytic reconstruction defines a family of formulations for finite volume interface fluxes using analytic solutions to approximating equations. Limiters are not applied in a conventional sense; rather, diffusivity is adjusted in the vicinity of changes in sign of eigenvalues in order to achieve a sufficiently small cell Reynolds number in the analytic formulation across critical points. Several approaches for application of semi-analytic reconstruction for the solution of one-dimensional scalar equations are introduced. Results are compared with exact analytic solutions to Burger s Equation as well as a conventional, upwind discretization using Roe s method. One approach, the end-point wave speed (EPWS) approximation, is further developed for more complex applications. One-dimensional vector equations are tested on a quasi one-dimensional nozzle application. The EPWS algorithm has a more compact difference stencil than Roe s algorithm but reconstruction time is approximately a factor of four larger than for Roe. Though both are second-order accurate schemes, Roe s method approaches a grid converged solution with fewer grid points. Reconstruction of flux in the context of multi-dimensional, vector conservation laws including effects of thermochemical nonequilibrium in the Navier-Stokes equations is developed.

Gnoffo, Peter A.↗

A second-order-in-time, explicit approach addressing the redundancy in the low-Mach, variable-density Navier-Stokes equations

A novel algorithm for explicit temporal discretization of the variable-density, low-Mach Navier-Stokes equations is presented here in this study. Recognizing there is a redundancy between the mass conservation equation, the equation of state, and the transport equation(s) for the scalar(s) which characterize the thermochemical state, and that it destabilizes explicit methods, we demonstrate how to analytically eliminate the redundancy and propose an iterative scheme to solve the resulting transformed scalar equations. The method obtains second-order accuracy in time regardless of the number of iterations, so one can terminate this subproblem once stability is achieved. Hence, flows with larger density ratios can be simulated while still retaining the efficiency, low cost, and parallelizability of an explicit scheme. The temporal discretization algorithm is used within a pseudospectral direct numerical simulation which extends the method of Kim, Moin, and Moser for incompressible flow to the variable-density, low-Mach setting, where we demonstrate stability for density ratios up to ~25.7.

97 MATHEMATICS AND COMPUTING↗

Intrinsic hydrodynamics with applications to space-time fluids

Cartan's methods of exterior differential forms are utilized to derive conformal and absolute conservation equations for various field quantities in relativistic hydromechanics. In particular, Fridman's results for the conservation of vector lines are extended to space time situations. The invariance concepts of Helmholtz and Bernoulli are formulated for arbitrary frames of reference, and the separate conservation concepts of total mass and total number in space time are distinguished and associated with the concept of turbulence.

Kiehn, R. M.↗

Conduction of thermal energy in the neighborhood of the earth's bow shock

The Rankine-Hugoniot equations for MHD shocks are generalized by the addition of a term to the energy conservation equation representing a nonzero heat flow in the plasma in the neighborhood of the shock. This generalization is found to be compatible with the assumption of infinite electrical conductivity. The effects of plasma waves in this treatment are of the order of the reciprocal Alfvenic Mach number squared and hence are neglected. The effect of alpha particles in the solar wind is discussed. Seven crossings of the earth's bow shock by Explorer 35 in lunar orbit are analyzed. Sufficient data are available so that the determination of a dimensionless parameter, psi, characterizing the heat-flow difference across the bow shock is possible. The values of psi indicate energy-flux densities due to heat flow which are a nonnegligible fraction of the total energy flux. Two possible interpretations of psi are discussed.

Hohlfeld, R. G.↗

TF34 engine compression system computer study

The stability of the fan and the compressor components was examined individually using linearized and time dependent, one dimensional stability analysis techniques. The stability of the fan core integrated compression system was investigated using a two dimensional compression system model. The analytical equations on which this model was based satisfied the mass, axial momentum, radial momentum, and energy conservation equations for flow through a finite control volume. The results gave an accurate simulation of the flow through the compression system. The speed lines of the components were reproduced; the points of instability were accurately predicted; the locations where the instability was initiated in the fan and the core were indicated; and the variation of the bypass ratio during flow throttling was calculated. The validity of the analytical techniques was then established by comparing these results with test data and with results obtained from the steady state cycle deck.

Hosny, W. M.↗

Numerical modeling of solidification and convection in a viscous pure binary eutectic system

The solidification and convection of the pure binary eutectic silicate system diopside-anorthite (Di-An) is numerically modeled. A mass-weighted enthalpy of fusion is used to account for the second solid phase (An) which crystallizes at the solidus temperature. Variable under-relaxation is used to aid convergence of the momentum equations in the implementation of the SIMPLER algorithm used to solve the two-dimensional continuum conservation equations. Numerical experiments of the solidification of Di80 melt show that a large temperature drop occurs across the solid and mush regions which decreases convective vigor in the liquid. Interesting compositional segregation patterns are produced during the solidification of Di80.

Oldenburg, Curtis M.↗

Electron-impact vibrational relaxation in high-temperature nitrogen

Vibrational relaxation process of N2 molecules by electron-impact is examined for the future planetary entry environments. Multiple-quantum transitions from excited states to higher/lower states are considered for the electronic ground state of the nitrogen molecule N2 (X 1Sigma-g(+)). Vibrational excitation and deexcitation rate coefficients obtained by computational quantum chemistry are incorporated into the 'diffusion model' to evaluate the time variations of vibrational number densities of each energy state and total vibrational energy. Results show a non-Boltzmann distribution of number densities at the earlier stage of relaxation, which in turn suppresses the equilibrium process but affects little the time variation of total vibrational energy. An approximate rate equation and a corresponding relaxation time from the excited states, compatible with the system of flow conservation equations, are derived. The relaxation time from the excited states indicates the weak dependency of the initial vibrational temperature. The empirical curve-fit formula for the improved e-V relaxation time is obtained.

Lee, Jong-Hun↗

A quasi-steady state cosmological model with creation of matter

A universe is envisioned in which there was a major creation episode when the mean universal density was about 10 to the -27 g/cu cm. Explicit equations are given for the creation of matter; in a cosmological approximation, these equations lead to expressions for the time-dependence of the cosmological scale factor S(t), but do not entail, as big bang cosmology does, that S(t) tend to zero at some finite time t. The equations therefore possess a universality that is absent from big bang cosmology. Creation occurs when certain conservation equations involving the gradient of a scalar field C(i) are satisfied.

Hoyle, F.↗

The Influence of Unsteadiness on the Analysis of Pressure Gain Combustion Devices

Pressure gain combustion (PGC) has been the object of scientific study for over a century due to its promise of improved thermodynamic efficiency. In many recent application concepts PGC is utilized as a component in an otherwise continuous, normally steady flow system, such as a gas turbine or ram jet engine. However, PGC is inherently unsteady. Failure to account for the effects of this periodic unsteadiness can lead to misunderstanding and errors in performance calculations. This paper seeks to provide some clarity by presenting a consistent method of thermodynamic cycle analysis for a device utilizing PGC technology. The incorporation of the unsteady PGC process into the conservation equations for a continuous flow device is presented. Most importantly, the appropriate method for computing the conservation of momentum is presented. It will be shown that proper, consistent analysis of cyclic conservation principles produces representative performance predictions.

Paxson, Daniel E.↗

A numerical method for predicting hypersonic flowfields

The flow about a body traveling at hypersonic speed is energetic enough to cause the atmospheric gases to chemically react and reach states in thermal nonequilibrium. The prediction of hypersonic flowfields requires a numerical method capable of solving the conservation equations of fluid flow, the chemical rate equations for specie formation and dissociation, and the transfer of energy relations between translational and vibrational temperature states. Because the number of equations to be solved is large, the numerical method should also be as efficient as possible. The proposed paper presents a fully implicit method that fully couples the solution of the fluid flow equations with the gas physics and chemistry relations. The method flux splits the inviscid flow terms, central differences of the viscous terms, preserves element conservation in the strong chemistry source terms, and solves the resulting block matrix equation by Gauss Seidel line relaxation.

Maccormack, Robert W.↗

A Second Law Based Unstructured Finite Volume Procedure for Generalized Flow Simulation

An unstructured finite volume procedure has been developed for steady and transient thermo-fluid dynamic analysis of fluid systems and components. The procedure is applicable for a flow network consisting of pipes and various fittings where flow is assumed to be one dimensional. It can also be used to simulate flow in a component by modeling a multi-dimensional flow using the same numerical scheme. The flow domain is discretized into a number of interconnected control volumes located arbitrarily in space. The conservation equations for each control volume account for the transport of mass, momentum and entropy from the neighboring control volumes. In addition, they also include the sources of each conserved variable and time dependent terms. The source term of entropy equation contains entropy generation due to heat transfer and fluid friction. Thermodynamic properties are computed from the equation of state of a real fluid. The system of equations is solved by a hybrid numerical method which is a combination of simultaneous Newton-Raphson and successive substitution schemes. The paper also describes the application and verification of the procedure by comparing its predictions with the analytical and numerical solution of several benchmark problems.

Majumdar, Alok↗

Direct numerical simulation of sheared turbulent flow

The summer assignment to study sheared turbulent flow was divided into three phases which were: (1) literature survey, (2) computational familiarization, and (3) pilot computational studies. The governing equations of fluid dynamics or Navier-Stokes equations describe the velocity, pressure, and density as functions of position and time. In principle, when combined with conservation equations for mass, energy, and thermodynamic state of the fluid a determinate system could be obtained. In practice the Navier-Stokes equations have not been solved due to the nonlinear nature and complexity of these equations. Consequently, the importance of experiments in gaining insight for understanding the physics of the problem has been an ongoing process. Reasonable computer simulations of the problem have occured as the computational speed and storage of computers has evolved. The importance of the microstructure of the turbulence dictates the need for high resolution grids in extracting solutions which contain the physical mechanisms which are essential to a successful simulation. The recognized breakthrough occurred as a result of the pioneering work of Orzag and Patterson in which the Navier-Stokes equations were solved numerically utilizing a time saving toggling technique between physical and wave space, known as a spectral method. An equally analytically unsolvable problem, containing the same quasi-chaotic nature as turbulence, is known as the three body problem which was studied computationally as a first step this summer. This study was followed by computations of a two dimensional (2D) free shear layer.

Harris, Vascar G.↗