(377a) Accelerate Materials Design through Accurate Performance Prediction

Material challenges are at the core of many DOE energy objectives.  Critical to Fossil Energy (FE) is the ability to predict performance under severe mechanical (creep and fatigue) loadings in extreme (corrosive and oxidative) environment over long time periods.  Methods that can accurately predict the evolution of the mesoscale microstructural features that control a material’s response to mechanical loadings and damage initiation are not currently available, let alone the tools needed to predict performance in extreme environments and service life consistent with advanced energy applications.  For advanced FE systems, the critical needs are for predictive models that simultaneously describe the mechanical and chemical performance of a material component over its entire service life, at conditions consistent with the application, to include changing environments, unexpected and planned cycling, and varying feedstocks.  Such a simulation tool set does not exist today.  Advanced simulation in materials development for the next generation of fossil energy systems will provide the pathway to accelerate the life cycle of materials design, development, and deployment, and reduce uncertainty, risk, and cost.