The goal of this project is to identify through ab initio molecular dynamics atomic level modeling and computer simulation and then experimentally validate new oxide dispersion strengthened (ODS) steel alloy compositions that have improved high temperature mechanical and corrosion resistance properties for advanced fossil energy applications. To accomplish this goal the project team will (1) Build interface models of ODS alloy compositions. (2) Perform interface energy and molecular dynamics/Monte Carlo high performance computing (HPC) simulations on the ODS models to identify promising compositions for high temperature and high pressure applications. (3). Perform experiments on the high temperature oxidation and high temperature/high pressure dislocation creep properties of the most promising ODS systems from the simulations.
This project will focus on development of advanced ferritic-oxide dispersion strengthened alloy materials for use in advanced power systems. Improvement to high-temperature advanced-materials will promote the development of advanced power plant designs that can operate at higher temperatures and pressures, leading to improvements in efficiency and operational flexibility.
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