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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Deformation and Transitions at Grain Boundaries VII
Presentation Title Quantifying and Predicting a "local" Stacking Fault Energy in Multi-principal Element Alloys
Author(s) Carlyn LaRosa, Maryam Ghazisaeidi
On-Site Speaker (Planned) Carlyn LaRosa
Abstract Scope Here, we quantify the effects of composition on energy fluctuations in FCC multi-principal element (MPE) alloys, examine how it relates to nanoscale deformation modes, and present a model which can reliably predict “local” stacking fault energy (SFE) as a function of the local atomic environment based on bond energies. The concept of a generalized SFE is well-suited for pure metals and dilute alloys. However, it is inadequate for quantifying the same phenomena in MPE alloys (e.g. medium- and high entropy alloys), where local compositional fluctuations can cause significant deviations from the average SFE. We apply our model to the binary and ternary subsets of the CrMnFeCoNi alloy. The outputs of our model can be used in strengthening models, with the added benefit of being significantly more cost effective than direct density functional theory (DFT) calculations. We anticipate extending our model to include the effects of local ordering.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

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An Atomistic Survey of Grain Boundary Migration Mechanisms in BCC Fe
Anisotropic Mobility in Faceted Σ11 <110> tilt FCC Grain Boundaries and the Effect of Subsequent Doping
Anisotropy Grading Effects on Strength and Ductility
Atomic Scale Modeling of Microstructure Effects on the Nucleation, Growth of Voids During Failure of Nanocrystalline Ta
Atomistic Modeling of Effects of Alloy Element and Impurity Segregation on Grain Boundary Embrittlement in BCC Fe
Atomistic Simulations of Grain Boundary-dislocation Interactions in Mg and Mg Alloys
Bridging the Gap Between Grain Boundary Experiments and Simulations via Engineered Oligocrystals
Characterization and Modeling of the Microstructure-scale Strain Distributions in an Aluminum Alloy Under Multiple Strain Paths
Characterization of Strain at Twin Boundaries in Ni-base Superalloys via Dark Field X-ray Microscopy
Continuum Dislocation Dynamics at Finite Deformation: Computational Modeling and Preliminary Results
Critical Assessment of Grain Boundary Role on the Magnetic Flux Trapping in Niobium
Database and Predictive Model of Grain Boundary Properties of Elemental Metals
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Dislocation Density Distribution at Slip Band-grain Boundary Intersections
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G-9: Deformation Nanomechanics and Dislocation Quantification at Atomic Scale in Nanocrystalline Pure-metal Magnesium
Grain Boundary Sliding and Slip Transmission in High Purity Aluminum
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