About this Abstract |
Meeting |
2nd World Congress on High Entropy Alloys (HEA 2021)
|
Symposium
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2nd World Congress on High Entropy Alloys (HEA 2021)
|
Presentation Title |
Atomic Simulations of FeCoCrMnSi High Entropy Alloys |
Author(s) |
Riyadh Salloom, Michael Baskes, Srivilliputhur G. Srinivasan |
On-Site Speaker (Planned) |
Riyadh Salloom |
Abstract Scope |
High entropy alloys (HEAs) have many promising properties beneficial to advanced technologies. However, their underlying deformation mechanisms are largely unclear. We have developed a MEAM potential for the FeCoCrMnSi alloys to study such problems. Our Monte-Carlo and molecular dynamics simulations show both hexagonal close-packed (hcp) and face-centered cubic (fcc) phases have similar energies, which may explain the unique TRIP and TWIP effects of this alloy. Also, we calculated the free energy of the single phases and the interface free energy between them for understanding the interfacial mobility under stress and elemental segregation within interfaces. Insignificant elemental segregation or partitioning was observed in the fcc or hcp interfacial regions. The calculated short-range order (SRO) parameter values revealed no significant chemical ordering. The calculated free energy values for the fcc and hcp phases showed that fcc phase is more stable than hcp phase by 10 meV. |
Proceedings Inclusion? |
Undecided |