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MM: Fachverband Metall- und Materialphysik

MM 13: Topical Session Designing Innovative Structural Materials and Steels IV

MM 13.6: Vortrag

Montag, 22. März 2010, 17:15–17:30, H4

Ab initio molecular dynamics study of interface layer formation at aluminum oxide/silicon nitride interfaces — •Steve Schmerler and Jens Kortus — TU Bergakademie Freiberg, Institut für Theoretische Physik, Leipziger Str. 23, 09599 Freiberg, Germany

Ab initio molecular dynamics techniques are a powerful tool for the study of dynamic effects in materials such as vibrational properties as well as structural phase transitions and phase formations.

We present results from molecular dynamics studies of aluminum oxide/silicon nitride interfaces at elevated temperatures. The formation of new interface layers and diffusion properties are discussed.

We would like to thank the DFG for financial support within the DFG Priority Program 1236: Strukturen und Eigenschaften von Kristallen bei extrem hohen Drücken und Temperaturen