Berlin 2015 –
scientific programme
MM 39: Methods in Computational Materials Modelling V: Kinetics and Beyond DFT
Wednesday, March 18, 2015, 15:45–17:45, H 0106
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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
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16:00 |
MM 39.2 |
Annealing of coper nanoparticles on substrate by surface diffusion — •Raphael Schiedung, Ingo Steinbach, and Ulrich Köhler
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16:15 |
MM 39.3 |
Simulation of fractal abnormal grain growth in nanocrystalline materials — •Mingyan Wang, Jules Dake, Rainer Birringer, and Carl Krill
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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
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16:45 |
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15 min. break
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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 Au — Blazej Grabowski, •Stefan Wippermann, Albert Glensk, Tilmann Hickel, and Jörg Neugebauer
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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
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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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