Regensburg 2013 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 50: Computational Materials Modelling - Defects & Interfaces I

Thursday, March 14, 2013, 10:15–11:30, H24

	10:15	MM 50.1	Reconciling theory and experiment: Ab initio simulations of point defects up to the melting temperature — •Albert Glensk, Blazej Grabowski, Tilmann Hickel, and Joerg Neugebauer
	10:30	MM 50.2	Stability and Mobility of Point Defects in Silicon Studied with Hybrid Density-Functional Theory Including van der Waals Interactions — •Wang Gao and Alexandre Tkatchenko
	10:45	MM 50.3	Effect of exchange-correlation functionals on vacancy formation energies — •Roman Nazarov, Tilmann Hickel, and Joerg Neugebauer
	11:00	MM 50.4	Atomistic modelling of interfaces between cubic and TCP phases in FeCr — •Thomas Schablitzki, Jutta Rogal, and Ralf Drautz
	11:15	MM 50.5	Simulation of grain boundary mobilities in Al, Cu and γ-Fe by molecular dynamics — •Felix Ulomek and Volker Mohles