| About this Abstract |
| Meeting |
2018 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Design and Simulation of Materials (CDSM 2018): Computational Design of Materials
|
| Presentation Title |
Searching for Corrosion Resistant Mg Alloys Using Genetic Algorithms |
| Author(s) |
Joshua Paul, Krista Limmer, Mark Tschopp, Santanu Chaudhuri |
| On-Site Speaker (Planned) |
Joshua Paul |
| Abstract Scope |
Although magnesium has potential for creating light weight structures, it is too prone to corrosion in the pure form. Magnesium alloys, however, have the potential to be corrosion resistant and can be used in substitute of pure magnesium while retaining the advantageous low weight. The corrosion resistance of magnesium alloys may be predicted by evaluating the relevant corrosion reactions that occur in conjunction with the stable and metastable phases in the alloy system. Using genetic algorithms, we explore Mg-X compositional spaces and measure the ability of these algorithms to predict known stable and metastable phases in the systems. Following, we look at the surfaces of the known and predicted Mg-X phases to see the adsorption energy of relevant molecules using both vacuum and implicit solvation models. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |