About this Abstract |
Meeting |
MS&T21: Materials Science & Technology
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Symposium
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High Entropy Materials: Concentrated Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond II
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Presentation Title |
Now On-Demand Only: Atomistic Simulations of the Structure and Mechanical Properties of Grain Boundaries in High Entropy Alloys |
Author(s) |
Fadi Abdeljawad |
On-Site Speaker (Planned) |
Fadi Abdeljawad |
Abstract Scope |
Owing to the non-dilute compositions of their elements, High entropy alloys (HEAs) exhibit unique combinations of properties that are not typically encountered in conventional alloys. Motivated by recent experiments on HEAs demonstrating that grain boundaries (GBs) act as nucleation sites for deformation twinning, herein, we leverage atomistic simulations to examine the role of GBs in the deformation behavior of the equiatomic CoCrFeMnNi HEA (i.e., Cantor alloy). A series of atomistic Cantor alloy bi-crystals with symmetric twist GBs are constructed, and then deformed in tension. Simulation results reveal that plastic deformation proceeds by the nucleation of partial dislocations from GBs, which then grow in the bulk crystals with further loading leaving behind stacking faults. Variations in the nucleation stress exist as function of the twist angle. Our results provide future avenues to explore GBs as a microstructure design tool to develop HEAs with tailored properties. |