Year 1 Timetable
Monday, October 28, 2019
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PX912 LectureMAS2.06 |
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Jutta Rogal (ICAMS)D2.02 (Engineering)Extended timescale simulations of structural phase transformations in materials Obtaining atomistic insight into the fundamental processes during structural phase transformations and their dynamical evolution up to experimental timescales remains one of the great challenges in materials modelling. In particular, if the mechanisms of the phase transformations are governed by so-called rare events, the timescales of interest will reach far beyond the applicability of regular molecular dynamics simulations. In addition to the timescale problem the simulations provide a vast amount of data within the high-dimensional phase space. A meaningful physical interpretation of these data requires the projection into a low-dimensional space and the identification of suitable reaction coordinates.
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PX912 WorkshopMAS2.01 |