On solute depletion zones along grain boundaries during segregation

0525073 - ÚFM 2021 RIV GB eng J - Článek v odborném periodiku
Scheiber, D. - Jechtl, T. - Svoboda, Jiří - Fischer, F. D. - Romaner, L.
On solute depletion zones along grain boundaries during segregation.
Acta Materialia. Roč. 182, JAN (2020), s. 100-107. ISSN 1359-6454. E-ISSN 1873-2453
Grant CEP: GA ČR(CZ) GA17-01641S
Institucionální podpora: RVO:68081723
Klíčová slova: kinetics * interface * Grain boundary segregation * Depletion regions * Thermodynamics * Kinetics
Obor OECD: Thermodynamics
Impakt faktor: 8.203, rok: 2020
Způsob publikování: Open access
https://www.sciencedirect.com/science/article/pii/S1359645419307025?via%3Dihub

We propose a model for predicting the depletion zone arising next to grain boundaries during non-equilibrium segregation. The model directly links to distribution of segregation energies as provided by atomistic simulations. We expose the theoretical framework based on the thermodynamic extremal principle and propose an efficient algorithm to solve the underlying equations. The example of the W-25at%Re is discussed to illustrate the main features of the model. Multi-component segregation kinetics is discussed for segregation of B, C, and N in Mo to illustrate site-competition scenarios. Comparison with earlier results obtained without depletion illustrates the importance of this effects. Finally the depletion zones along GBs are investigated for many different compositions to asses for which material composition and heat treatments they may be observed experimentally. We find that extended depletion zones arise for very small solute concentrations. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Trvalý link: http://hdl.handle.net/11104/0309291