About this Symposium

Meeting MS&T24: Materials Science & Technology

Symposium Computation Assisted Materials Development for Improved Corrosion Resistance

Sponsorship TMS: Corrosion and Environmental Effects Committee

Organizer(s) Rishi Pillai, Oak Ridge National Laboratory
Brian Gleeson, University of Pittsburgh
Mathias C. Galetz, DECHEMA-Forschungsinstitut
Tianle Cheng, National Energy Technology Laboratory

Scope

This symposium will showcase the latest developments in computational assisted design of materials for improved corrosion resistance. Computational modeling studies are sought that (a) provide insights into the mechanisms of corrosion, (b) allow for advanced prediction of corrosion induced degradation, and (c) provide the basis for the development of corrosion resistant materials. Predictive modeling of both aqueous and high temperature corrosion is challenging due to the complexity of the underlying mechanisms, their dependence on scale morphology, alloy microstructure, surface preparation, and lack of thermodynamic-kinetic data. Advances in computing power have provided the impetus for application of modeling methods that utilize one or more approaches such as machine learning, molecular dynamics, density functional theory and phase field to develop new materials and to better understand materials factors that confer or control corrosion resistance.

The symposium encourages, but is not limited to, the following areas of interest: 1. Modeling and simulation of aqueous and/or high temperature corrosion processes 2. Modeling of microstructural evolution (oxide scale morphology, alloy microstructure) 3. Modeling and simulation of oxide scale cracking and spallation 4. Multiscale/multiphysics modeling strategies to predict influence of alloy composition and exposure conditions on high temperature oxidation behavior 5. Machine learning and/or ICME for design of corrosion resistant materials 5. Predictive modelling of materials degradation and lifetime in corrosive environments

Abstracts Due 05/15/2024

PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Assessment of the Role of Minor Refractory Alloying Additions in Affecting Alumina-Scale Formation During High-Temperature Oxidation of Ni-based model alloys

Atomic Origins of CO2-Promoted Oxidation of Chromia-Forming Alloys

Impact of Water Vapor Content and Oxygen Partial Pressure on Oxidation Behavior of NiCr Alloys at 950 °C

New Approaches Towards Computational Modeling of Metal Dusting

Phase-Field Modeling of Thermally Grown Oxide and Induced Damage and Cracking in Environmental Barrier Coatings

Phase Field Numerical Model for Simulating the Activation and Diffusion Controlled Stress Corrosion Cracking Phenomena in Anisotropic Material

Predicting Oxidation Behavior of Ni-Based Superalloys with Physics-Informed Machine Learning

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