Massively Parallel Reacting Flow Calculations for Optimization of Chemical Vapor Deposition Reactors

Andrew G. Salinger, John Shadid, Harry Moffat, Scott Hutchinson, Karen Devine, Gary Hennigan, William Hart

Sandia National Laboratories
Albuquerque, New Mexico 87185


Efficient and robust massively parallel algorithms are used to solve 3D reacting flow applications. An unstructured grid finite element method is implemented in the code MPSalsa to solve incompressible flow coupled with heat and mass transport. A fully-coupled inexact Newton method with backtracking in conjuntion with a parallel preconditioned Krylov linear solver (Aztec) allow the direct calculation of steady-states. The quick solution time enables the optimization of a Chemical Vapor Deposition reactor model.