SKM 2023 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 14: Development of Computational Methods: Thermodynamics and Local Chemistry, Electronic Structure

MM 14.8: Talk

Tuesday, March 28, 2023, 12:15–12:30, SCH A 251

An amplitude expansion of magnetic phase field crystal: A continuum model for magnetically driven dislocation networks — •Rainer Backofen, Marco Salvalaglio, and Axel Voigt — Institute of Scientific Computing, TU Dresden

The amplitude expansion of the phase-field-crystal (APFC) model enables a convenient coarse-grained description of crystalline structures. It allows the description of length scales that are orders of magnitude larger than the lattice spacing while retaining microscopic features, such as dislocations. Adaptive finite elements are used to treat the different involved length scales efficiently [1].

Here, an APFC model is presented that captures the basic physics of magneto-structural interactions: magnetostriction and magnetic anisotropy. The free energy of APFC is combined with a continuum field representing local magnetization [2]. The proposed coupling does not increase the partial differential equation to solve compared with the basic APFC model. Still, it is flexible enough to adapt the magnetic anisotropy of the model to basic ferromagnetic materials such as Fe and Ni. Exploiting this model, the influence of external magnetic fields on the evolution of defects and grain boundaries is discussed.

[1] Salvalaglio, Backofen, Voigt (2018) PRMat, 2(5), 053804. [2] Backofen, Salvalaglio, Voigt (2022) Model Simul Mat Sci Eng