About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
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Symposium
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Advances in Multi-Principal Element Alloys III: Mechanical Behavior
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Presentation Title |
The Effect of Atomic Configurations on the Stacking Fault Energy of the FCC Matrix Phase in FeNiMoW |
Author(s) |
Sarah E. O'Brien, Matthew J Beck |
On-Site Speaker (Planned) |
Sarah E. O'Brien |
Abstract Scope |
The equiatomic multi-principal element alloy (MPEA) FeNiMoW demonstrates a unique self-sharpening property due adiabatic shear banding in a soft FCC matrix phase with nominal composition Fe<sub>40</sub>Ni<sub>40</sub>Mo<sub>16</sub>W<sub>4</sub>. Understanding and modeling this novel mechanical behavior requires determination of the single phase structure and properties of the FCC matrix, including determination of fundamental properties relevant to dislocation motion. Here we report results of DFT calculations of the stacking fault energy (SFE) in FCC Fe<sub>40</sub>Ni<sub>40</sub>Mo<sub>16</sub>W<sub>4</sub> with a range of atomic configurations. SFEs varied by up to 100 mJ/m<sup>2</sup> among different configurations, likely due to changes in local nearest neighbor chemistry. Specifically, we present evidence that the electronegativity difference between the alloying elements plays a primary role in influencing stacking fault energies, with lattice distortion due to atomic radius acting as a secondary influence. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Mechanical Properties |