Project Goals

This project aims at advancing the state of the art of reacting flow computations as far as dealing with the challenges posed by (i) the large range of length and time scales, and (ii) the complexity of chemical models. The work involves two distinct areas.

The first focuses on the development and demonstration of scalable high-order adaptive mesh refinement (AMR) constructions for low Mach number reacting flow computations, squarely addressing the length-scale range challenge. In this context, particular focus is placed on high-order spatial derivative stencils, interpolations, and filters, which are key to achieving scalable AMR performance on massively parallel computational platforms.

The second area focuses on development and use of computational singular perturbation (CSP) tools for analysis of reacting flow computational data, automatic chemical model reduction, adaptive chemistry, and efficient explicit time integration of stiff chemical kinetic systems. This area addresses the time-scale range and chemical complexity challenges.

Further, the overall project plan involves the development and utilization of the above codes in the context of the Common Component Architecture (CCA), where distinct functionalities are implemented in distinct software components with well-defined interfaces. This approach facilitates the assembly of a reacting flow code out of a number of lightweight, flexible, easily maintainable components. Thus, departing from traditional monolithic scientific code design, we are developing and using a flexible software toolkit, under CCA, for reacting flow computations and analysis.

We plan to demonstrate the assembly of toolkit components in computations of 2D/3D reacting flow, and to validate the results with respect to reacting flow databases. With this combination of a parallel, flexible, software toolkit and advanced CSP/adaptive-chemistry tools we envision a significant enhancement in the complexity of feasible reacting flow computations, and in the physical information extracted from them pertaining to the coupling of chemical and flow processes.