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 |
Stacking Fault Energy (SFE) of Multi-component Alloys Based in Fe80-X MnXCo10Cr10
(X= 20, 30, 40, 50 at%) Using a Computational Approach |
Author(s) |
Katherine Paredes Gil, Jose Yesid Aguilar Hurtado |
On-Site Speaker (Planned) |
Katherine Paredes Gil |
Abstract Scope |
Fe50-xMn30Co10Cr10Bx (x = 0, 3, 5 and 10 at.-%) alloys were recently manufactured showing a martensitic transformation from fcc to hcp as consequence of the stacking faults presence. This causes a reduction in the stacking faults energy (SFE) increasing the solid solution strengthening and activating several deformation mechanisms which are responsible of the increased mechanical properties. In this direccion, it is our interest to gain insight in the SFE of Fe80-xMnxCo10Cr10 (X=20, 30, 40, 50 at%) and Fe30Mn50Co10Cr10B5 using ab initio calculations. We employ the special quasi-random structures method (SQS) to predict the most probable positions the different atomic species in a supercell of 60 atoms, and after periodic DFT calculations using PBE functional, and a cutoff of 500 eV were carried out using VASP software. The SFE results based in the Stocks et.al model are agreement to experimental SFE and allow to rationalize the strain-hardening behavior since the structural characteristics. |
Proceedings Inclusion? |
Undecided |