Hamburg 2001 – wissenschaftliches Programm
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DY: Dynamik und Statistische Physik
DY 46: Poster
DY 46.51: Poster
Donnerstag, 29. März 2001, 15:45–18:15, Foyer S\ 3
Molecular dynamics simulations of amorphous and crystalline covalent Si-(B-)C-N ceramics — •Nicoletta Resta1,2 and Christopher Kohler1 — 1Institut für Theoretische und Angewandte Physik, Universität Stuttgart, D-70550 Stuttgart — 2Max-Planck-Institut für Metallforschung, Heisenbergstraße 5, D-70569 Stuttgart
Novel high performance covalent ceramics consisting of Si-(B-)C-N can be synthesized by pyrolysis of organic polymers (precursors) into amorphous ceramics and by an ensuing crystallization into polycrystalline composites. The atomistic mechanisms responsible for the high thermal stability of these materials and for their high toughness are still not completely understood.
We have modelled the structure of
amorphous and crystalline
Si-(B-)
C-N ceramics by means of classical molecular dynamics simulations
with
empirical many-body interatomic potentials. We have investigated the
atomistic structure of
the amorphous state as well as the structure and energies of grain
boundaries of the polycrystals. We have also studied the capability of the
potentials to describe the crystallization process.