Integrated Simulation & Experimental Approach for Advancing Fundamental Understanding of Passive Film Formation and Stability in Multi-Principal Element Alloys
Abstract
Integrated Simulation & Experimental Approach for Advancing Fundamental Understanding of Passive Film Formation and Stability in Multi-Principal Element Alloys. The PI proposes to establish a closely integrated experimental and multi-scale thermodynamicconsistent computational framework for corrosion processes. In particular, focus will be placed on understanding the formation of passive oxide film formed on the multi-principal element alloys (MPEAs). The following specific aims are to be achieved: 1) elucidating the role of alloy elements in facilitating/opposing passivation in MPEAs; 2) kinetic analysis of passive film formation and breakdown on MPEAs of microstructural heterogeneity; and 3) understanding the effect of defects such as voids, dislocations, stacking faults on the passive film formation and stability. Density functional theory (DFT), reactive molecular dynamics (MD), and phase field modeling together with experimental electrochemistry and electron microscopy analysis will be utilized for achieving the specific aims.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 29, 2020
- Source ID
- N000142012284
Entities
People
- Yao Fu
Organizations
- Office of Naval Research
- United States Navy
- University of Cincinnati