On solute depletion zones along grain boundaries during segregation

Daniel Scheiber, Tobias Jechtl, Jiri Svoboda, Franz-Dieter Fischer, Lorenz Romaner

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7 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)100-107
Number of pages8
JournalActa materialia
Issue number1 January
Early online date25 Oct 2019
Publication statusPublished - 1 Jan 2020

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Publisher Copyright: © 2019 Acta Materialia Inc.

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