TY - JOUR

T1 - A multi-component phase-field model for T1 precipitates in Al-Cu-Li alloys

AU - Reza Safi, Ali

AU - Mathew, Elizabeth

AU - Chafle, Rupesh

AU - Klusemann, Benjamin

N1 - Publisher Copyright: © 2025 The Author(s). Published by IOP Publishing Ltd.

PY - 2025/9/15

Y1 - 2025/9/15

N2 - In this study, the role of elastic and interfacial energies in the shape evolution of T1 precipitates in Al-Cu-Li alloys is investigated using phase-field modeling. We employ a formulation considering the stoichiometric nature of the precipitate phase explicitly, including coupled equation systems for various order parameters. Inputs such as elastic properties are derived from density functional theory calculations, while chemical potentials are obtained from CALPHAD databases. This methodology provides a framework that is consistent with the derived chemical potentials to study the interplay of thermodynamic, kinetic, and elastic effects on T1 precipitate evolution in Al-Cu-Li alloys. It is shown that diffusion-controlled lengthening and interface-controlled thickening are important mechanisms to describe the growth of T1 precipitates. Furthermore, the study illustrates that the precipitate shape is significantly influenced by the anisotropy in interfacial energy and linear reaction rate, however, elastic effects are only of secondary importance.

AB - In this study, the role of elastic and interfacial energies in the shape evolution of T1 precipitates in Al-Cu-Li alloys is investigated using phase-field modeling. We employ a formulation considering the stoichiometric nature of the precipitate phase explicitly, including coupled equation systems for various order parameters. Inputs such as elastic properties are derived from density functional theory calculations, while chemical potentials are obtained from CALPHAD databases. This methodology provides a framework that is consistent with the derived chemical potentials to study the interplay of thermodynamic, kinetic, and elastic effects on T1 precipitate evolution in Al-Cu-Li alloys. It is shown that diffusion-controlled lengthening and interface-controlled thickening are important mechanisms to describe the growth of T1 precipitates. Furthermore, the study illustrates that the precipitate shape is significantly influenced by the anisotropy in interfacial energy and linear reaction rate, however, elastic effects are only of secondary importance.

KW - Al-Cu-Li alloys

KW - phase-field model

KW - precipitates

KW - T

KW - Engineering

UR - http://www.scopus.com/inward/record.url?scp=105012740137&partnerID=8YFLogxK

U2 - 10.1088/1361-651X/adf3d2

DO - 10.1088/1361-651X/adf3d2

M3 - Journal articles

AN - SCOPUS:105012740137

VL - 33

JO - Modelling and Simulation in Materials Science and Engineering

JF - Modelling and Simulation in Materials Science and Engineering

SN - 0965-0393

IS - 6

M1 - 065009

ER -