Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

The primary objective of this research is to extend current capabilities of Large Eddy Simulations (LES) and Direct Numerical Simulations (DNS) for the computational analyses of high speed reacting flows. Our efforts in the first two years of this research have been concentrated on a priori investigations of single-point Probability Density Function (PDF) methods for providing subgrid closures in reacting turbulent flows. In the efforts initiated in the third year, our primary focus has been on performing actual LES by means of PDF methods. The approach is based on assumed PDF methods and we have performed extensive analysis of turbulent reacting flows by means of LES. This includes simulations of both three-dimensional (3D) isotropic compressible flows and two-dimensional reacting planar mixing layers. In addition to these LES analyses, some work is in progress to assess the extent of validity of our assumed PDF methods. This assessment is done by making detailed companions with recent laboratory data in predicting the rate of reactant conversion in parallel reacting shear flows. This report provides a summary of our achievements for the first six months of the third year of this program

Large eddy simulation and direct numerical simulation of high speed turbulent reacting flows

The objective of this research is to make use of Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for the computational analyses of high speed reacting flows. Our efforts in the first phase of this research conducted within the past three years have been directed in several issues pertaining to intricate physics of turbulent reacting flows. In our previous 5 semi-annual reports submitted to NASA LaRC, as well as several technical papers in archival journals, the results of our investigations have been fully described. In this progress report which is different in format as compared to our previous documents, we focus only on the issue of LES. The reason for doing so is that LES is the primary issue of interest to our Technical Monitor and that our other findings were needed to support the activities conducted under this prime issue. The outcomes of our related investigations, nevertheless, are included in the appendices accompanying this report. The relevance of the materials in these appendices are, therefore, discussed only briefly within the body of the report. Here, results are presented of a priori and a posterior analyses for validity assessments of assumed Probability Density Function (PDF) methods as potential subgrid scale (SGS) closures for LES of turbulent reacting flows. Simple non-premixed reacting systems involving an isothermal reaction of the type A + B yields Products under both chemical equilibrium and non-equilibrium conditions are considered. A priori analyses are conducted of a homogeneous box flow, and a spatially developing planar mixing layer to investigate the performance of the Pearson Family of PDF's as SGS models. A posteriori analyses are conducted of the mixing layer using a hybrid one-equation Smagorinsky/PDF SGS closure. The Smagorinsky closure augmented by the solution of the subgrid turbulent kinetic energy (TKE) equation is employed to account for hydrodynamic fluctuations, and the PDF is employed for modeling the effects of scalar fluctuations. The implementation of the model requires the knowledge of the local values of the first two SGS moments. These are provided by additional modeled transport equations. In both a priori and a posteriori analyses, the predicted results are appraised by comparison with subgrid averaged results generated by DNS. Based on these results, the paths to be followed in future investigations are identified

Technology Infusion Challenges from a Decision Support Perspective

In a restricted science budget environment and increasingly numerous required technology developments, the technology investment decisions within NASA are objectively more and more difficult to make such that the end results are satisfying the technical objectives and all the organizational constraints. Under these conditions it is rationally desirable to build an investment portfolio, which has the highest possible technology infusion rate. Arguably the path to infusion is subject to many influencing factors, but here only the challenges associated with the very initial stages are addressed: defining the needs and the subsequent investment decision-support process. It is conceivable that decision consistency and possibly its quality suffer when the decision-making process has limited or no traceability. This paper presents a structured decision-support framework aiming to provide traceable, auditable, infusion- driven recommendations towards a selection process in which these recommendations are used as reference points in further discussions among stakeholders. In this framework addressing well-defined requirements, different measures of success can be defined based on traceability to specific selection criteria. As a direct result, even by using simplified decision models the likelihood of infusion can be probed and consequently improved

Strategic Technology Investment Analysis: An Integrated System Approach

Complex technology investment decisions within NASA are increasingly difficult to make such that the end results are satisfying the technical objectives and all the organizational constraints. Due to a restricted science budget environment and numerous required technology developments, the investment decisions need to take into account not only the functional impact on the program goals, but also development uncertainties and cost variations along with maintaining a healthy workforce. This paper describes an approach for optimizing and qualifying technology investment portfolios from the perspective of an integrated system model. The methodology encompasses multi-attribute decision theory elements and sensitivity analysis. The evaluation of the degree of robustness of the recommended portfolio provides the decision-maker with an array of viable selection alternatives, which take into account input uncertainties and possibly satisfy nontechnical constraints. The methodology is presented in the context of assessing capability development portfolios for NASA technology programs

Progress in Favré-Reynolds Stress Closures for Compressible Flows

A closure for the compressible portion of the pressure-strain covariance is developed. It is shown that, within the context of a pressure-strain closure assumption linear in the Reynolds stresses, an expression for the pressure-dilatation can be used to construct a representation for the pressure-strain. Additional closures for the unclosed terms in the Favré-Reynolds stress equations involving the mean acceleration are also constructed. The closures accommodate compressibility corrections depending on the magnitude of the turbulent Mach number, the mean density gradient, the mean pressure gradient, the mean dilatation, and, of course, the mean velocity gradients. The effects of the compressibility corrections are consistent with current DNS results. Using the compressible pressure-strain and mean acceleration closures in the Favré-Reynolds stress equations an algebraic closure for the Favré-Reynolds stresses is constructed. Noteworthy is the fact that, in the absence of mean velocity gradients, the mean density gradient produces Favré-Reynolds stresses in accelerating mean flows. Computations of the mixing layer using the compressible closures developed are described. Full Reynolds stress closure and two-equation algebraic models are compared to laboratory data. The mixing layer configuration computations are compared to laboratory data; since the laboratory data for the turbulence stresses is inconsistent, this comparison is inconclusive. Comparison

Les Software for the Design of Low Emission Combustion Systems for Vision 21 Plants

In this project, an advanced computational software tool was developed for the design of low emission combustion systems required for Vision 21 clean energy plants. Vision 21 combustion systems, such as combustors for gas turbines, combustors for indirect fired cycles, furnaces and sequestrian-ready combustion systems, will require innovative low emission designs and low development costs if Vision 21 goals are to be realized. The simulation tool will greatly reduce the number of experimental tests; this is especially desirable for gas turbine combustor design since the cost of the high pressure testing is extremely costly. In addition, the software will stimulate new ideas, will provide the capability of assessing and adapting low-emission combustors to alternate fuels, and will greatly reduce the development time cycle of combustion systems. The revolutionary combustion simulation software is able to accurately simulate the highly transient nature of gaseous-fueled (e.g. natural gas, low BTU syngas, hydrogen, biogas etc.) turbulent combustion and assess innovative concepts needed for Vision 21 plants. In addition, the software is capable of analyzing liquid-fueled combustion systems since that capability was developed under a concurrent Air Force Small Business Innovative Research (SBIR) program. The complex physics of the reacting flow field are captured using 3D Large Eddy Simulation (LES) methods, in which large scale transient motion is resolved by time-accurate numerics, while the small scale motion is modeled using advanced subgrid turbulence and chemistry closures. In this way, LES combustion simulations can model many physical aspects that, until now, were impossible to predict with 3D steady-state Reynolds Averaged Navier-Stokes (RANS) analysis, i.e. very low NOx emissions, combustion instability (coupling of unsteady heat and acoustics), lean blowout, flashback, autoignition, etc. LES methods are becoming more and more practical by linking together tens to hundreds of PCs and performing parallel computations with fine grids (millions of cells). Such simulations, performed in a few weeks or less, provide a very cost-effective complement to experimental testing. In 5 years, these same calculations can be performed in 24 hours or less due to the expected increase of computing power and improved numerical techniques. This project was a four-year program. During the first year, the project included the development and implementation of improved chemistry (reduced GRI mechanism), subgrid turbulence (localized dynamic), and subgrid combustion-turbulence interaction (Linear Eddy) models into the CFD-ACE+ code. University expertise (Georgia Tech and University of California, Berkeley) was utilized to help develop and implement these advanced submodels into the unstructured, parallel CFD flow solver, CFD-ACE+. Efficient numerical algorithms that rely on in situ look-up tables or artificial neural networks were implemented for chemistry calculations. In the second year, the combustion LES software was evaluated and validated using experimental data from lab-scale and industrial test configurations. This code testing (i.e., alpha testing) was performed by CFD Research Corporation's engineers. During the third year, six industrial and academic partners used the combustion LES code and exercised it on problems of their choice (i.e., beta testing). Final feedback and optimizations were then implemented into the final release (licensed) version of the combustion LES software to the general public. An additional one-year task was added for the fourth year of this program entitled, ''LES Simulations of SIMVAL Results''. For this task, CFDRC performed LES calculations of selected DoE SIMVAL cases, and compared predictions with measurements from NETL. In addition to comparisons with NOx and CO exit measurements, comparisons were made to measured pressure oscillations. Potential areas of improvement for combustion and turbulence models were identified. In conclusion, this program advanced the state-of-the-art in combustion LES analysis, providing a software tool for more accurate analysis as well as the capability of assessing transient combustion events

Mission Activity Planning for Humans and Robots on the Moon

A series of studies is conducted to develop a systematic approach to optimizing, both in terms of the distribution and scheduling of tasks, scenarios in which astronauts and robots accomplish a group of activities on the Moon, given an objective function (OF) and specific resources and constraints. An automated planning tool is developed as a key element of this optimization system

Numerical Simulation of High-Speed Turbulent Reacting Flows

The objectives of this research are: (1) to develop and implement a new methodology for large eddy simulation of (LES) of high-speed reacting turbulent flows. (2) To develop algebraic turbulence closures for statistical description of chemically reacting turbulent flows