From Percolation to Passivation (P2P): Multiscale Prediction and Interrogation of Surface and Oxidation Phenomena in Multi-Principal Element Alloys (MPEAs)
Abstract
Multi-Principal Element Alloys (MPEAs) are the subject of emerging interest due to their mechanical/thermal stability and strength at high temperature. A clear challenge is harnessing MPEA composition and microstructure to realize the potential oxidation and corrosion resistance. A unique aspect of MPEAs that has not been systematically explored is that MPEAs are thought to contain short-range order most simply as a variation in nearest neighbor configuration. The central hypotheses of this project are that (1) ordering and clustering phenomena influence the kinetics of MPEA oxidation and corrosion, and (2) MPEA alloy complexity yields an opportunity for new, non-equilibrium oxides with superior passivation and oxidation behavior. These two themes are connected by novel percolation processes that strongly factor into oxide formation. To this end, a multiscale approach, consisting of key tasks from high throughput exploration to atomic scale mechanistic interrogation, is presented. Our approach combines atomistic simulations with high throughput computation and experimental testing to deliver thousands of compositions as a foundation for exploration of the role of order, diffusion, and complex oxide on oxidation behavior. We employ cutting edge and one-of-a-kind high resolution and in situ/operando tools to explore atomic-scale processes and mesoscale (oxide structure, chemistry) phenomena. The outcome of this research defines a quantitative path forward toward tailoring MPEA compositions for harsh environment, and a database for the greater materials science and processing community.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- May 08, 2020
- Source ID
- N000142012368
Entities
People
- Mitra L. Taheri
Organizations
- Johns Hopkins University
- Office of Naval Research
- United States Navy