About this Abstract |
Meeting |
2nd World Congress on High Entropy Alloys (HEA 2021)
|
Symposium
|
2nd World Congress on High Entropy Alloys (HEA 2021)
|
Presentation Title |
Local and Near-boundary Environments in Multiple-principal Element Alloys |
Author(s) |
Doruk Aksoy, Megan J. McCarthy, Ian Geiger, Timothy J. Rupert |
On-Site Speaker (Planned) |
Doruk Aksoy |
Abstract Scope |
The continued advancement of multiple principal element alloys (MPEAs) depends on the ability to understand and manipulate the internal microstructures of these materials. In this talk, we investigate a number of important interfacial phenomena in MPEAs using atomistic modeling tools, including segregation-induced evolution of metastable boundary states, near-boundary segregation zones resulting from both structural and chemical patterning, and the influence of local atomic environments on segregation behavior in random polycrystalline networks. First, we use single element ground-state and metastable grain boundary configurations as reference states to investigate the energetic and structural effects of segregation in MPEAs. Next, spatial patterning in segregation at bicrystal and polycrystal models is studied, highlighting the diversity of structural and chemical motifs present. Finally, machine learning-based analysis is used to enable efficient prediction of segregation behavior in non-dilute and chemically complex environments. As a whole, our findings illuminate new paths to the interfacial design of MPEAs. |
Proceedings Inclusion? |
Undecided |