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Berlin 2015 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 39: Methods in Computational Materials Modelling V: Kinetics and Beyond DFT

Wednesday, March 18, 2015, 15:45–17:45, H 0106

15:45 MM 39.1 Exploring nucleation mechanisms in nickel: Novel insight from transition path sampling simulations. — •Grisell Diaz Leines, Ralf Drautz, and Jutta Rogal
16:00 MM 39.2 Annealing of coper nanoparticles on substrate by surface diffusion — •Raphael Schiedung, Ingo Steinbach, and Ulrich Köhler
16:15 MM 39.3 Simulation of fractal abnormal grain growth in nanocrystalline materials — •Mingyan Wang, Jules Dake, Rainer Birringer, and Carl Krill
16:30 MM 39.4 On the Propagation of two en passent cracks upon mutual interaction: A pase field study — •Markus Thäter, Michael Fleck, Martin Lautenschläger, and Heike Emmerich
  16:45 15 min. break
17:00 MM 39.5 Random phase approximation up to the melting point: The impact of anharmonicity and many-body effects on the thermodynamics of AuBlazej Grabowski, •Stefan Wippermann, Albert Glensk, Tilmann Hickel, and Jörg Neugebauer
17:15 MM 39.6 Correlation energy in the Adiabatic Connection Fluctuation-Dissipation Theory beyond RPA: Systematic development and simple approximations — •Nicola Colonna, Maria Hellgren, and Stefano de Gironcoli
17:30 MM 39.7 Comparison between exact and semilocal exchange potentials: An all-electron study for solids — •Fabien Tran, Markus Betzinger, Peter Blaha, and Stefan Blügel
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