Fully coupled segregation and precipitation kinetics model with ab initio input for the Fe-Au system
Research output: Contribution to journal › Article › Research › peer-review
Authors
Organisational units
External Organisational units
- Materials Center Leoben Forschungs GmbH
- Institute of Physics of Materials of the Academy of Sciences of the Czech Republic
- Institute of Materials Science and Technology
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
Original language | English |
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Article number | 118577 |
Number of pages | 11 |
Journal | Acta materialia |
Volume | 244.2023 |
Issue number | 1 January |
Early online date | 29 Nov 2022 |
DOIs | |
Publication status | Published - 1 Jan 2023 |