MM 28: Topical Session Electron Theory III
Wednesday, March 16, 2011, 15:45–17:15, IFW A
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15:45 |
MM 28.1 |
Parameterization of bond-order potentials from first principles — Martin Reese, •Matous Mrovec, Christian Elsässer, Alexander Urban, and Bernd Meyer
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16:00 |
MM 28.2 |
Bond-Order Potentials for bcc Transition Metals Niobium and Tungsten — •Miroslav Cak, Thomas Hammerschmidt, and Ralf Drautz
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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
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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
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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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