About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Interplay between Chemical Interactions and Constituent Strain Energy during the Early Stages of Precipitations |
Author(s) |
Kang Wang, Du Cheng, Bi-Cheng Zhou |
On-Site Speaker (Planned) |
Kang Wang |
Abstract Scope |
Favored alloy configurations in solid solutions at the atomic scale dictate the ordering / clustering tendencies and affect the structures, stabilities and morphologies of precipitates. In the past, the theoretical investigations of the favored alloy configurations in Mg alloys primarily centered on the short-ranged chemical interactions. However, it is known that long-ranged strain energy caused by size mismatch between constituent species, especially its anisotropy, plays an important role in the early stages of precipitation. In the current work, the energies due to chemical interactions and constituent strain are separated by the first-principles mixed-space cluster expansion approach, and their roles on the short-range ordering / clustering and precipitation in binary Mg alloys are examined comprehensively with a focus on the formation of Guinier-Preston (G.P.) zones. And the metastable phase diagrams with potential G.P. zones are constructed with both chemical and strain energy contributions. |
Proceedings Inclusion? |
Planned: |