Project A11 aims at the investigation of the formation
of microstructure under martensitic/austenitic phase
transformations employing the method of
moleculardynamics (MD) simulations. Of special interest
are the nucleation and growth of such processes, the
evolution dynamics of domain growth and the
self-accomodation of martensitic twin-structures.
The project's workplan is two-folded: One aspect concerns the planing/programming,
performance and analysis of multi-million MD simulation
experiments in 3D, where temporarily Lennard-Jones based
interaction models are regarded as a test system.
Secondly, the project aims at the modelling of
interaction potential functions suitable for
nickel-titanium alloys by the use of DFT based methods.
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