Conference Tools for 2027 TMS Annual Meeting & Exhibition

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Meeting

2027 TMS Annual Meeting & Exhibition

Symposium

Computational Discovery and Design of Materials

Presentation Title

Intermetallic Composition as a Variable in Alloy Design

Author(s)

Kevin D. Sisco, Xiangyuan Cui, Kay Song, Kangwei Chen, Simon P. Ringer

On-Site Speaker (Planned)

Simon P. Ringer

Abstract Scope

Intermetallics commonly govern the strength and stability of structural alloys, especially in high-temperature applications. However, their compositions are often treated as fixed, with limited efforts to tailor their intrinsic properties. In this presentation, we demonstrate a new strategy for optimizing alloy performance by manipulating the composition of a key intermetallic, Al<sub>24</sub>(Cu,Ni)<sub>8</sub>Ce<sub>3</sub>TM, in Al-(Cu,Ni)-Ce-transition metals (TM) alloys. Density functional theory calculations are performed to evaluate how TM substitution alters the elastic properties and stability of the Al<sub>24</sub>(Cu,Ni)<sub>8</sub>Ce<sub>3</sub>TM phase across a broad range of substitutions. Selected TM substitutions are used to synthesize intermetallics, validate the feasibility of site occupancy manipulation, and measure intermetallics properties. This integrated experimental and computational approach enables a level of materials control not achievable through conventional matrix-focused design strategies. By treating intermetallic phases as functional, compositionally tuneable constituents rather than passive by-products, this work establishes a transferable framework for engineering intermetallics in a broad range of structural alloys.

Proceedings Inclusion?

Planned:

Keywords

Computational Materials Science & Engineering, Aluminum, High-Temperature Materials

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