Fully coupled segregation and precipitation kinetics model with ab initio input for the Fe-Au system
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
Autoren
Organisationseinheiten
Externe Organisationseinheiten
- Materials Center Leoben Forschungs GmbH
- Czech Academy of Sciences, Brno
- Technische Universität Wien
Abstract
For designing new and improved materials, predictive modeling of precipitation and segregation kinetics is required. So far, no modeling approach is available that couples precipitation with ab initio segregation data. We derive the mathematical basis for a model to describe segregation and precipitation kinetics with grain boundary segregation energies obtained from ab initio simulations. The model is implemented rigorously and validated with experimental data on a Fe-Au system from literature.
Details
Originalsprache | Englisch |
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Aufsatznummer | 118577 |
Seitenumfang | 11 |
Fachzeitschrift | Acta materialia |
Jahrgang | 244.2023 |
Ausgabenummer | 1 January |
Frühes Online-Datum | 29 Nov. 2022 |
DOIs | |
Status | Veröffentlicht - 1 Jan. 2023 |