7–11 Apr 2025
Lecture and Conference Centre
Europe/Warsaw timezone

Evaluating chemo-mechanical coupling in phase-field methods: Benchmarks and Insights

9 Apr 2025, 08:50
20m
Room 1.27

Room 1.27

Speaker

Thea Kannenberg

Description

Multiphase-field models allow for the simulation of microstructural evolution and phase transformations in materials, eliminating the necessity for computationally expensive interface tracking. Furthermore, multiphase-field methods facilitate the integration of various driving forces, e.g., chemical and mechanical driving forces, within a unified framework. The multiphase-field method provides a powerful approach within the field of chemo-mechanical modeling, enabling an in-depth examination of the complex interplay between diffusional processes and mechanical deformation and stresses in materials. In light of the numerous potential applications of this method and its ongoing development, it is crucial to establish standardized benchmark tests. In this work, the coupling between chemical, capillary, and mechanical driving forces is investigated employing a coupled phase-field model [1]. Herein, chemical driving forces based on the grand potential density [2, 3] are employed and parameters from a Calphad-database are incorporated to approximate the Gibbs free energy and, thus, quantify the chemical driving forces. Furthermore, mechanical driving forces are formulated based on the mechanical jump conditions [4]. The chemo-mechanical coupling is discussed in terms of a series of phase equilibrium simulations of Fe-C binary alloys, which contribute to the development of standard benchmark examples to validate chemical, capillary, and mechanical driving forces [5]. Thermodynamic and mechanical equilibrium conditions are derived from sharp interface formulations and compared with phase-field simulations.

References
[1] B. Svendsen, P. Shanthraj and D. Raabe J. Mech. Phys. Solids 112 619–36, 2018.
[2] A. Choudhury and B. Nestler, Phys Rev E, Vol. 85 (2), 021602, 2012.
[3] M. Plapp, Phys Rev E, Vol. 84 (3), 031601, 2011.
[4] D. Schneider, F. Schwab. E. Schoof, A. Reiter, C. Herrmann, M. Selzer, T. Böhlke, B. Nestler, Comput. Mech., Vol. 60 (2), 203–217, 2017.
[5] T. Kannenberg, A. Prahs, B. Svendsen, B. Nestler, D. Schneider, Modelling Simul. Mater. Sci. Eng. 33(1) 015004, 2025.

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