| About this Abstract |
| Meeting |
MS&T23: Materials Science & Technology
|
| Symposium
|
Computational Discovery, Understanding, and Design of Multi-principal Element Materials
|
| Presentation Title |
The Elastic Properties and Stacking Fault Energy of FeNiMoW |
| Author(s) |
Sarah E. O'Brien, Matthew J Beck |
| On-Site Speaker (Planned) |
Sarah E. O'Brien |
| Abstract Scope |
FeNiMoW, a unique multi-principal element alloys (MPEA), demonstrates self-sharpening behavior caused by adiabatic shear banding in the FCC matrix, Fe<sub>10</sub>Ni<sub>10</sub>Mo<sub>4</sub>W. Before modeling the plastic behaviors, elastic properties and stacking fault energies must be modelled. Due to the large cell size and lack of symmetry, a series of atomistic calculations utilizing the relationship between strain and potential energy have been developed for determining the elastic constants of the FCC matrix. This does assume that overall Fe<sub>10</sub>Ni<sub>10</sub>Mo<sub>4</sub>W is cubic. Elastic properties like Young’s modulus and Poisson’s ratio are calculated for individual unit cells and polycrystalline approximations. Generally, there was no preferential configuration, and the polycrystalline approximations agree with experimental data. Stacking fault and twin boundary calculations for Fe<sub>10</sub>Ni<sub>10</sub>Mo<sub>4</sub>W also provide initial insight into the yielding behavior, with a focus on the atomic configuration’s influence on the surface energies. This work would be one step closer to predicting the adiabatic shear banding. |