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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Computational and Modeling Challenges in Metals and Alloys for Extreme Environments
Presentation Title Multi-scale Simulations of Crystallographic Facet-orientation Dependent Corrosion Behavior in Metallic Alloys
Author(s) Rongpei Shi, Stephen Weitzner, Tim Hsu, Xiao Chen, Tae Wook Heo, Tuan Anh Pham, Christine Orme, Morris Wang, Brandon Wood
On-Site Speaker (Planned) Rongpei Shi
Abstract Scope The development of successful metal corrosion mitigation strategies is impeded by an incomplete mechanistic understanding of the connection between corrosion performance and microstructure; for instance, crystallographic facet dependent morphology and kinetics of pitting corrosion have not been fully addressed. Here, we present a meso-scale phase field model for pitting corrosion that takes into account interfacial electrochemical reactions, mass transport of electrolytes and morphological evolution of the corroding interface. The model is parameterized using facet-orientation dependent dissolution rates obtained by combining electron backscatter diffraction (EBSD) with atomic force microscopy (AFM). The model is then employed to quantify the individual and combine effect of different microstructure attributes and environment conditions on corrosion behaviors. The model can also be parameterized using facet-orientation dependent equilibrium dissolution potentials computed by density functional theory and then validated by EBSD and AFM measurements. Overall, the findings improve our understanding of the crystallographic controls of corrosion processes.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Environmental Effects, ICME

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Thermo-mechanical Model of the Dynamics of Dislocation Fields in Transient Heterogeneous Temperature Fields
Investigation of Role of Interface Microstructure on the Shock Compression and Spall Failure Behavior of Nanoscale Cu/Ta Multiphase Metallic Materials
Lattice Orientation Effect on Intragranular Void Growth in Single- and Poly-crystalline Metals
Mesoscale Modeling of Deformation Behavior of Fe-based Microstructures at High Strain Rates and under Shock Loading Conditions
Modeling of Laser Interactions with BCC Metals Using a Hybrid Atomistic-continuum Approach
Molecular Dynamics Modeling of the Influence of Magnesium Dopants on Grain Boundary Stabilization in Nanocrystalline Aluminum
Multi-scale Simulations of Crystallographic Facet-orientation Dependent Corrosion Behavior in Metallic Alloys
The Microscopic Structure of a Heavily Irradiated Metal
The Role of Precipitates on the Microstructure-sensitive Creep Response of 347H Steel via Crystal Plasticity Simulations
Understanding Interface Properties Through Dislocation Dynamics Simulations in Metallic Nanolaminates

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