| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
100 Years and Still Cracking: A Griffith Fracture Symposium
|
| Presentation Title |
EAM Potential for Liquid Metal Induced Fracture |
| Author(s) |
Antoine Clement, Thierry Auger |
| On-Site Speaker (Planned) |
Antoine Clement |
| Abstract Scope |
Here we aim at modeling the competition between dislocation emission at a crack tip with fracture "à la Griffith" for alpha brass in contact with a liquid metal. This requires computing generalized stacking fault energies in Cu-Zn alloys. An EAM (Embedded Atom Method) potential has been developed for this purpose for the fcc phase only. Calculations by DFT-GGA of various physical quantities (Cij, vacancy, ...) have been used to fit the potential. Zinc is being modelled in its fcc state so that the potential is valid only for the alpha phase. Copper and zinc are treated with the same cut-off to be consistent in the alloy. Preliminary results (Solid solution hardening and extension towards fracture) using this potential will be shown as well as a comparison with experimental data on liquid metal induced fracture. Thermodynamics (mixing enthalpy) of Cu-Zn and mechanical (stacking fault energy) properties are well reproduced. |
| Proceedings Inclusion? |
Planned: |