Regensburg 2010 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 56: Topical Session Growth Kinetics VI

MM 56.6: Talk

Thursday, March 25, 2010, 16:45–17:00, H4

Twist grain boundary migration by molecular dynamics simulation — •Volker Mohles, Jian Zhou, and Günter Gottstein — Institute of Physical Metallurgy and Metal Physics, RWTH Aachen University, Aachen, Germany

Molecular dynamics (MD) simulations with EAM potentials were used to study grain boundary migration of [001], [110] and [111] twist grain boundaries (GBs) in aluminum. The motion of GBs was driven by a crystal orientation dependent driving force. During GB migration, all GBs were found to be flat and to retain their structures at a given temperature. The GB structure was found to vary depending on temperature and the misorientation angle, and to be crucial for GB mobility. For some high-angle high-energy GBs, a transition from a solid-like structure to a liquid-like one was observed at elevated temperatures. This transition affects GB migration significantly. Our simulations yield twist GB mobility data in conspicuous agreement with those derived from real experiments.