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Dresden 2011 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 28: Topical Session Electron Theory III

Wednesday, March 16, 2011, 15:45–17:15, IFW A

15:45 MM 28.1 Parameterization of bond-order potentials from first principlesMartin Reese, •Matous Mrovec, Christian Elsässer, Alexander Urban, and Bernd Meyer
16:00 MM 28.2 Bond-Order Potentials for bcc Transition Metals Niobium and Tungsten — •Miroslav Cak, Thomas Hammerschmidt, and Ralf Drautz
16:15 MM 28.3 Topical Talk: Hydrogen in metals, atomic defects in crystals, and wetting phenomena. - The benefit of using density functional theory — •Lothar Schimmele
16:45 MM 28.4 First-principles simulations of H interstitials within Σ 3 and Σ 5 grain boundaries in bcc Fe — •Yaojun Du, Jutta Rogal, and Ralf Drautz
17:00 MM 28.5 Effect of H on homogeneous dislocation nucleation: Consequences for hydrogen embrittlement — •Johann von Pezold and Jörg Neugebauer
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