| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
|
| Presentation Title |
Investigation of Chemical Short-Range Order Impact on Melting Point and Generalized Stacking Fault Energy in Multi-Principal Element Alloys |
| Author(s) |
Subah Mubassira, Mahshad Fani, Anshu Raj, Shuozhi Xu |
| On-Site Speaker (Planned) |
Subah Mubassira |
| Abstract Scope |
Multi-principal element alloys (MPEAs), characterized by equimolar or near-equimolar distributions, demonstrate improved mechanical qualities such as increased strength, hardness, resistance to deformation, and higher temperature adaptability. Studies on alloys with medium to high entropy raise concerns about how the short-range order affects the material properties. In this study, using a combination of molecular dynamics (MD) and a hybrid MD/Monte Carlo (MC) simulation method, we extensively investigated the role chemical short-range order (CSRO) plays in the generalized stacking fault energy (GSFE) and the melting point of several MPEAs. For constructing the CSRO structure, a hybrid MD/MC simulation is run to swap different species in an NPT ensemble until the system energy converges. The liquid-solid co-existence method is used to determine a material's melting point. Understanding the significance of CSRO in MPEAs offers vital perspectives on enhancing their mechanical attributes and thermal stability for inventive material development in high-efficiency uses. |
| Proceedings Inclusion? |
Planned: |