ELFT HÍRADÓ

[kadargy <kadargy AT mfa.kfki.hu>]

MFA Szeminárium

Jan KNAUP (Universität Paderborn)

Theoretical investigation of reactions at
solid state interfaces and their products

2005. szeptember 7.-én, szerdán
délelőtt 11:00 órakor az MTA Műszaki
Fizikai és Anyagtudományi Kutatóintézet
Tanácstermében, KFKI 26. épület I. emelet

Abstract:
Multiscale method coupling provides a means to model solid state
surfaces and interfaces and investigate the mechanisms of reactions
happening there.
Hierarchic validation allows to combine the reasonable computational
effort of a tight-binding approach for obtaining accurate geometries
with the high precision electronic structure data available through
computationally expensive hybrid-exchange denstity functional theory.
These methods have been applied to investigate oxide defects generated
during the dry oxidation of SiC and to construct a model consistently
explaining several experimental observations made on thermally grown
oxides on SiC.
In a second project, reaction kinetics of the formation of an
Al2O3/Adhesive interface are investigated, using hierarchically
validated tight binding input data, first results of this work will be
presented.

Minden érdeklődőt szívesen várunk

Kádár György (MFA)
kadargy AT sunserv.kfki.hu