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Meeting MS&T22: Materials Science & Technology
Symposium Computation Assisted Materials Development for Improved Corrosion Resistance
Presentation Title Computational Approaches to Designing and Predicting the High-Temperature Oxidation Behavior of Alloys
Author(s) Brian Gleeson
On-Site Speaker (Planned) Brian Gleeson
Abstract Scope Development and selection of cost-effective advanced materials are key enablers for emerging clean energy technologies. Many of these applications require structural alloys to withstand extreme corrosive and oxidizing environments for thousands of hours and, in turn, rely on the formation – and reformation – of a protective oxide scale. This presentation will review current and past research aimed at improving the design and predictability of oxidation behavior through computational approaches. Particular focus will be directed at the use of CALPHAD.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A PRISMS-PF Based Application for Simulating Microgalvanic/Galvanic Corrosion in Alloys
Computational Approaches to Designing and Predicting the High-Temperature Oxidation Behavior of Alloys
Multi-objective Optimization of CALPHAD and Empirical Models to Discover New High-temperature Metallic Glasses
Oxidation Lifetime Modeling of FeCr and NiCr Foils in Hydrogen-fired Microturbines
Phase Identification and Characterization in a Mo-Si-B-Ti Alloy
Predicting Hydrogen Diffusivity in Amorphous Titania Using Markov Chain Kinetic Monte Carlo Simulations
The Effect of Solute Capture on Chlorine Chemisorption
Water-Metal Interactions: Insights from Atomistic Simulations

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