Date of Award
Master of Science
Department of Engineering Physics
Adib Samin, PhD
A computational toolset is presented and used in two examples that examined the interactions between structural materials and their extreme environments. A multi-cell Monte Carlo algorithm was developed to generate thermodynamically realistic solid-state alloy systems. These structures served as the foundation upon which surface slab models were generated. The tedious procedure of generating surface slab models from bulk structures was automated. The tools were used to study the high temperature surface corrosion resistance of a high-entropy alloy, Al10Nb15Ta5Ti30Zr40, and a nickel-based alloy, Ni70Nb10W20, under an oxygen and chlorine atmosphere, respectively.
DTIC Accession Number
Dolezal, Tyler D., "A Study on the Early Stages of Degradation of Multi-component Alloy Surfaces in Extreme Environments Using the Multi-cell Monte Carlo Method" (2022). Theses and Dissertations. 5461.