Abstract
θ'-Al2Cu precipitates in Al-Cu alloys have various distorted octagon shapes, which can be explained by the competition between {100} and {110} type semi-coherent interfaces with the Al matrix. While most prior studies on the semi-coherent Al/θ' interfaces have focused on the {100} orientation, little is known about the {110} interface. We have investigated the energetics of pristine and solute-segregated {110} semi-coherent Al/θ' interfaces with advanced characterization and first-principles studies. We report interfacial, strain, and solute segregation energetics of the {110} Al/θ' semi-coherent interface for 39 elements and compared them with previously reported values of the {100} interface. We discuss the atomic features and atomic local structures to identify similarities and differences between the two types of Al/θ' semi-coherent interfaces. The isotropy in pristine Al/θ' semi-coherent interfacial energy and the anisotropy resulting from solute segregation provide insight into the formation of different types of θ' precipitate “faces” reported in the literature.
| Original language | English |
|---|---|
| Article number | 120444 |
| Journal | Acta Materialia |
| Volume | 281 |
| DOIs | |
| State | Published - Dec 1 2024 |
Funding
The research was supported by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program, and the DOE Basic Energy Sciences, Materials Sciences, and Engineering Division. Early research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy. APT was conducted at ORNL's Center for Nanophase Materials Sciences, a US DOE Office of Science User Facility. The authors would like to thank James Burns for assistance in performing APT sample preparation and running the APT experiments. The autors would also like to thank James R. Morris for his valuable comments. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U. S. Department of Energy under Contract No DE-AC05-00OR22725. The research was supported by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program, and the DOE Basic Energy Sciences, Materials Sciences, and Engineering Division. Early research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy. APT was conducted at ORNL's Center for Nanophase Materials Sciences, a US DOE Office of Science User Facility. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U. S. Department of Energy under Contract No. DE-AC05-00OR22725 . The authors would like to thank James R. Morris for his valuable comments.
Keywords
- Al-Cu alloys
- Semi-Coherent interface
- Solute segregation
- θ' Al2Cu