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MM: Fachverband Metall- und Materialphysik

MM 49: Computational Materials Modelling VII - Grain boundaries & Interfaces

MM 49.4: Talk

Thursday, April 3, 2014, 11:00–11:15, IFW D

Hot or cold: A guide on how to determine an optimal simulation temperature in the Potts model for normal grain growth — •Dana Zöllner — Institut für Experimentelle Physik, Otto-von-Guericke- Universität Magdeburg, Universitätsplatz 2, 39106 Magdeburg, Germany

The simulation temperature in the Monte Carlo Potts model of grain growth is not correlated to any real experimental temperature and has originally been introduced into the simulation purely to activate thermal fluctuations that roughen the grain boundaries and prevent an unphysical lattice effect - namely the pinning of grain boundaries and their junctions to the underlying lattice.

In the present work it is shown that in the Monte Carlo Potts model there is for a given implementation of the simulation algorithm and a given set of lattice parameters a one-to-one correspondence between the simulation parameters γ and m representing the specific grain boundary energy and mobility in the simulation algorithm and the phenomenological parameters in the equation of motion only for one certain simulation temperature, T_opt. In particular, it is discovered that only the use of T_opt reproduces the curvature driven kinetics of normal grain growth, e.g., the von Neumann-Mullins-relation, correctly.