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At least 271 records · Page 15

Mathematical description of complex chemical kinetics and application to CFD modeling codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

Understanding the Role of CFD, Including RANS, DES, LES and DNS, in Hypersonic Propulsion Design and Analysis

Computational fluid dynamics (CFD) has matured to the point where it is becoming ubiquitous in the design and analysis of aerospace vehicles and their propulsion systems. The current state-of-the-art of CFD in hypersonic propulsion design and analysis as well as a historical perspective of its development over the last 50 years is presented. The current state-of-the-art for the design of finite rate chemically reacting turbulent hypersonic flow is shown to currently be Reynolds averaged simulations (RAS) where the Reynolds averaged Navier-Stokes (RAS) equations are solved to obtain steady state solutions. An overview of the physical modeling techniques employed by RAS for the simulation of hypersonic chemically reacting flow are presented. However, scale resolving simulation techniques, such as detached eddy simulation (DES), large eddy simulations (LES), hybrid RAS/LES and direct numerical simulations (DNS), are becoming becoming powerful tools for point design analysis. One example of such a scale resolving technique, hybrid RAS/LES, will be briefly described as well as how it can be used to help address model form uncertainties in RAS.

Hypersonic↗

Renormalization group methods for the Reynolds stress transport equations

The Yakhot-Orszag renormalization group is used to analyze the pressure gradient-velocity correlation and return to isotropy terms in the Reynolds stress transport equations. The perturbation series for the relevant correlations, evaluated to lowest order in the epsilon-expansion of the Yakhot-Orszag theory, are infinite series in tensor product powers of the mean velocity gradient and its transpose. Formal lowest order Pade approximations to the sums of these series produce a rapid pressure strain model of the form proposed by Launder, Reece, and Rodi, and a return to isotropy model of the form proposed by Rotta. In both cases, the model constants are computed theoretically. The predicted Reynolds stress ratios in simple shear flows are evaluated and compared with experimental data. The possibility is discussed of deriving higher order nonlinear models by approximating the sums more accurately. The Yakhot-Orszag renormalization group provides a systematic procedure for deriving turbulence models. Typical applications have included theoretical derivation of the universal constants of isotropic turbulence theory, such as the Kolmogorov constant, and derivation of two equation models, again with theoretically computed constants and low Reynolds number forms of the equations. Recent work has applied this formalism to Reynolds stress modeling, previously in the form of a nonlinear eddy viscosity representation of the Reynolds stresses, which can be used to model the simplest normal stress effects. The present work attempts to apply the Yakhot-Orszag formalism to Reynolds stress transport modeling.

Rubinstein, R.↗

Viscous, radiating hypersonic flow about a blunt body

The viscous, radiating hypersonic flow past an axisymmetric blunt body is analyzed based on the Navier-Stokes equations, plus a radiative equation of transfer derived from the Milne-Eddington differential approximation. The fluid is assumed to be a perfect gas with constant specific heats, a constant Prandtl number of order unity, a viscosity coefficient varying as a power of the temperature, and an absorption coefficient varying as the first power of the density and as a power of the temperature. The gray gas assumption is invoked, thereby making the absorption coefficient independent of the spectral frequency. Limiting forms of the solutions are studied as the freestream Mach number freestream Reynolds number and the temperature ratio across the shock wave, go to infinity, and as the Bouguer number and the density ratio across the shock wave go to zero. The method of matched asymptotic expansions is used in the analysis, and it is shown that there is a far-field precursor, composed of two regions, in which the fluid mechanics can be neglected for all practical purposes but included for completeness.

Passamaneck, R. S.↗

Future requirements and roles of computers in aerodynamics

While faster computers will be needed to make solution of the Navier-Stokes equations practical and useful, most all of the other aerodynamic solution techniques can benefit from faster computers. There is a wide variety of computational and measurement techniques, the prospect of more powerful computers permits extension and an enhancement across all aerodynamic methods, including wind-tunnel measurement. It is expected that, as in the past, a blend of methods will be used to predict aircraft aerodynamics in the future. These will include methods based on solution of the Navier-Stokes equations and the potential flow equations as well as those based on empirical and measured results. The primary flows of interest in aircraft aerodynamics are identified, the predictive methods currently in use and/or under development are reviewed and two of these methods are analyzed in terms of the computational resources needed to improve their usefulness and practicality.

Gregory, T. J.↗

Simulation of the turbulent Rayleigh-Benard problem using a spectral/finite difference technique

The three-dimensional, incompressible Navier-Stokes and energy equations with the Bousinesq assumption have been directly simulated at a Rayleigh number of 3.8 x 10 to the 5th power and a Prandtl number of 0.76. In the vertical direction, wall boundaries were used and in the horizontal, periodic boundary conditions were used. A spectral/finite difference numerical method was used to simulate the flow. The flow at these conditions is turbulent and a sufficiently fine mesh was used to capture all relevant flow scales. The results of the simulation are compared to experimental data to justify the conclusion that the small scale motion is adequately resolved.

Eidson, T. M.↗

Physics-Informed Deep Learning-Based Proof-of-Concept Study of a Novel Elastohydrodynamic Seal for Supercritical CO 2 Turbomachinery

Supercritical carbon dioxide (sCO 2 ) power cycles show promising potential of higher plant efficiencies and power densities for a wide range of power generation applications such as fossil fuel power plants, nuclear power production, solar power, and geothermal power generation. sCO 2 leakage through the turbomachinery has been one of the main concerns in such applications. To offer a potential solution, we propose an elastohydrodynamic (EHD) seal that can work at elevated pressures and temperatures with low leakage and minimal wear. The EHD seal has a very simple, sleeve-like structure, wrapping on the rotor with minimal initial clearance at micron levels. Here, in this work, a proof-of-concept study for the proposed EHD seal was presented by using the simplified Reynolds equation and Lame’s formula for the fluid flow in the clearance and for seal deformation, respectively. The set of nonlinear equations was solved by using both the conventional Prediction–Correction (PC) method and modern Physics-Informed Neural Network (PINN). It was shown that the physics-informed deep learning method provided good computational efficiency in resolving the steep pressure gradient in the clearance with good accuracy. The results showed that the leakage rates increased quadratically with working pressures and reached a steady-state at high-pressure values of 15~20 MPa, where Q = 300 g/s at 20 MPa for an initial seal clearance of 255 μm. This indicates that the EHD seal could be tailored to become a potential solution to minimize the sCO 2 discharge in power plants.

30 DIRECT ENERGY CONVERSION↗

Stability of laser heated flows

A local stability analysis is utilized to determine the stability of disturbances generated at each point along a nozzle of variable area ratio for a one-dimensional flow heated by laser radiation entering from the upstream direction. The governing equations for the quasi-one-dimensional flow without viscous dissipation, diffusion, and thermal conduction but including radiative heat transfer are given. The governing equations are combined to yield a relationship which governs the Mach number variation through the nozzle. The complete steady-state solution can be calculated from knowledge of the Mach number profile, the inlet conditions, and the laser power. The local stability analysis permits obtaining contour (or contours) of neutral stability. Solutions have been obtained for various nozzle configurations, but only one set of example calculations is presented. The results obtained indicate that the analysis serves as an important indicator as to where potential absorption wave phenomena may be initiated.

Wu, P. K. S.↗

Shock effects from a large impact on the moon

The paper calculates the shock and shear deformation-induced internal energy distribution associated with a major basin-forming hypervelocity meteorite impact on the moon. The Hageman and Walsh formulation of the axisymmetric two-dimensional conservation equations in finite difference form is used, and the flow field induced upon impact of an iron meteorite traveling at 15 km/sec with a gabbroic anorthosite lunar crust is calculated for sequential time steps over a grid of hoop-shaped zones fixed in space. If an energy of 5 times 10 to the 32nd power ergs for the projectile energy is required to excavate a basin of Imbrium size, than a flow field of approximately 210 km in radius approximately 19 seconds after impact is indicated. The meteorite residue, the melt, and the ejecta are discussed, and the results are compared with the Gault and Heitowit (1963) formulation.

Okeefe, J. D.↗

Sensitivity of Simulated Warm Rain Formation to Collision and Coalescence Efficiencies, Breakup, and Turbulence: Comparison of Two Bin-Resolved Numerical Models

Numerical models that resolve cloud particles into discrete mass size distributions on an Eulerian grid provide a uniquely powerful means of studying the closely coupled interaction of aerosols, cloud microphysics, and transport that determine cloud properties and evolution. However, such models require many experimentally derived paramaterizations in order to properly represent the complex interactions of droplets within turbulent flow. Many of these parameterizations remain poorly quantified, and the numerical methods of solving the equations for temporal evolution of the mass size distribution can also vary considerably in terms of efficiency and accuracy. In this work, we compare results from two size-resolved microphysics models that employ various widely-used parameterizations and numerical solution methods for several aspects of stochastic collection.

Fridlind, Ann↗

A whole-core steady-state thermal-hydraulic model for annular fuel type fluoride-salt-cooled reactors

A whole-core, steady-state thermal-hydraulic model is developed for the fluoride-salt-cooled small modular advanced high-temperature reactor (SmAHTR) that employs an annular fuel configuration. This pre-conceptual reactor design by Oak Ridge National Laboratory (ORNL) has the annular fuel and moderator pins arranged in a hexagonal layout. The FLiBe coolant flows from the bottom to the top of the core, parallel to the hexagonal bundle. The fuel and moderator pins in the core are discretized into finite volumes and the 3-D heat conduction equation is solved to obtain the temperature profile. Inter-fuel assembly conduction is also addressed. For this fuel assembly configuration, the coolant flows through two distinct regions – the hexagonal pin bundle and the annulus between the fuel pin and the tie rod. The fluid flow through the hexagonal bundles is modeled using the subchannel approach, in which the coolant region is discretized into corner, edge and interior subchannels and the resulting conservation equations are systematically solved. The 1-D mass, momentum and energy equations are solved for the annulus channels between the fuel pin and the tie rod. Pertinent closure models from the literature are employed to close the system of equations. We also performed a preliminary code-to-code comparison between the present model and a CFD model.. The resulting thermal-hydraulic model can provide temperature, flow rate and pressure drop profiles for the different solid and fluid regions throughout the entire core. Whole-core thermal-hydraulic results for a representative power profile are presented and discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ionic Diffusion in Slurry Electrolytes for Redox Flow Batteries

Slurry electrodes have been proposed as a method to decouple the storage and power capacities of hybrid redox flow batteries by allowing the reduced metal to adhere to a flowing dispersion of electrically conductive particles rather than accumulate in the flow cell. In this work, the ionic mass transport through these slurry electrolytes is investigated via voltammetry at a rotating disc electrode and in a parallel channel flow cell. A modified Levich equation, i l = 0.6 2 nFC ω 1 / 2 ν − 1 / 6 ( D + r 2 Φ ω m ) 2 / 3 , is developed to describe limiting currents to a rotating disc electrode when using a particle filled electrolyte. Mass transfer is demonstrated to be enhanced by greater particle loading so long as there are sufficient particles such that their respective flow velocity boundary layers interact. In the flow cell, faradaic current in a carbon black slurry electrolyte was observed to decrease over time. This suggests that the carbon particles adhere and accumulate on the stationary electrode, impeding mass transport by imposing diffusion path tortuosity. This accumulation is undesirable in hybrid redox flow batteries as it encourages metal deposition in the cell, limiting the scalability of the technology.

Electrochemistry↗

Unsteady flow through compressor stages

The application of the nonsteady Lax-Wendroff technique to problems with asymptotically periodic solution which offers a potentially powerful method for the investigation of the interaction of rotating and stationary blade rows in turbomachinery is reported. A technique for specifying boundary conditions with phase lag was developed to accomplish this. A complete nonlinear analysis is carried out numerically to determine the entire flow field without recourse to the assumption of small disturbances of linear equations which underlie the previous acoustic theories. The result, obtained for the case of equal number of rotor and stator blades shows that transonic flow can be handled without difficulty. In addition, the program is not limited with regard to blade thickness, camber or loading. Extension of this method to incorporate viscous wakes and to analysis of fully three dimensional configuration is feasible, and would greatly expand its utility in practical applications.

Alzner, E.↗

Calculations of the moon's thermal history at different concentrations of radioactive elements, taking into account differentiation on melting

Calculations of the thermal history of the moon were done by solving the thermal conductivity equation for the case in which the heat sources are the long lived radioactive elements Th, U, and K-40. The concentrations of these elements were adjusted to give 4 variations of heat flow. Calculations indicated that the moon's interior was heated to melting during the first 0.7 to 2.3 x 10 to the 9th power years. The maximum fusion involved practically the entire moon to a distance from 15 to 45 km beneath the surface, and started 3.5 to 4.0 x 10 to the 9th power years ago, or 2.5 x 3.0 x 10 to the 9th power years ago and continued for 1 to 2 x 10 to the 9th power years. The moon today is cooling. The current thickness of the solid crust is from 150 to 200 km and the heat flow exceeds the stationary value 1.5 fold.

Ornatskaya, O. I.↗

Multi-Group Maximum Entropy Model for Translational Non-Equilibrium

The aim of the current work is to describe a new model for flows in translational non- equilibrium. Starting from the statistical description of a gas proposed by Boltzmann, the model relies on a domain decomposition technique in velocity space. Using the maximum entropy principle, the logarithm of the distribution function in each velocity sub-domain (group) is expressed with a power series in molecular velocity. New governing equations are obtained using the method of weighted residuals by taking the velocity moments of the Boltzmann equation. The model is applied to a spatially homogeneous Boltzmann equation with a Bhatnagar-Gross-Krook1(BGK) model collision operator and the relaxation of an initial non-equilibrium distribution to a Maxwellian is studied using the model. In addition, numerical results obtained using the model for a 1D shock tube problem are also reported.

Entropy↗

PSE-Based Aerodynamic Flow Transition Prediction Using Automated Unstructured CFD Integration

Accurate, robust, and efficient prediction of transition in viscous flows is a significant challenge in computational fluid dynamics. We present a coupled, high-fidelity, iterative approach that leverages the FUN3D flow solver and the LASTRAC stability code to predict transition in low-disturbance environments, initiated by the linear growth of boundary-layer instability modes. Our method integrates the ability of FUN3D to compute mixed laminar-transitional-turbulent mean flows via transition-sensitized Reynolds-Averaged Navier-Stokes equations with the ability of LASTRAC to perform linear stability analysis, all within an automated framework that requires no intermediate user involvement. Unlike conventional frameworks that rely on classical stability theory or reduced-order metamodels, our approach employs the parabolized stability equations to provide more accurate and reliable estimates of disturbance growth for multiple instability mechanisms, including Tollmien-Schlichting, Kelvin-Helmholtz, and crossflow modes. By accounting for the effects of mean-flow nonparallelism as well as the surface curvature, this approach lays the foundation for improved N-factor correlations for transition onset prediction in a broad class of flows. We apply this method to three distinct flow configurations: 1) flow over a zero-pressure-gradient flat plate, 2) the NLF-0416 airfoil with both natural and separation-induced transitions, and 3) a 6:1 prolate spheroid, where transition is primarily driven by crossflow instability. For the two-dimensional cases, a formulated intermittency distribution is used to model the transition zone in between the laminar and fully turbulent flows. The results include comparisons with experimental measurements, similar numerical approaches, and transport-equations-based models, demonstrating good agreement in surface pressure coefficients, transition onset locations, and skin-friction coefficients for all three configurations. Besides contributing a couple of new insights into boundary-layer transition in these canonical cases, this study provides a powerful tool for transition modeling in both research and design applications in aerodynamics.

Transition Prediction↗

Toward the large-eddy simulations of compressible turbulent flows

New subgrid-scale models for the large-eddy simulation of compressible turbulent flows are developed based on the Favre-filtered equations of motion for an ideal gas. A compressible generalization of the linear combination of the Smagorinsky model and scale-similarity model (in terms of Favre-filtered fields) is obtained for the subgrid-scale stress tensor. An analogous thermal linear combination model is also developed for the subgrid-scale heat flux vector. The three dimensionless constants associated with these subgrid-scale models are obtained by correlating with the results of direct numerical simulations of compressible isotropic turbulence performed on a 96 to the third power grid using Fourier collocation methods. Extensive comparisons between the direct and modeled subgrid-scale fields are provided in order to validate the models. Future applications of these compressible subgrid-scale models to the large-eddy simulation of supersonic aerodynamic flows are discussed briefly.

Erlebacher, G.↗