Regensburg 2019 – wissenschaftliches Programm

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4364 Ergebnisse auf 437 Seiten: 1 … 263 264 265 266 267 … 437

Mi, 10:45	MM 22.3	6Mg(NH2)/9LiH/LiBH4: Molecular Dynamics and Hydrogen Diffusion — •Neslihan Aslan, Wiebke Lohstroh, Sebastian Busch, Claudio Pistidda, Klaus Pranzas, and Martin Müller

Mi, 11:00	MM 22.4	Applicability of MAX phases as diffusion barrier for hydrogen and chromium in SOFC — •Daniel F. Urban, Dimitrios Satkas, and Christian Elsässer

Mi, 11:15	MM 22.5	Description of bulk and surface polarons in oxide materials using DFT+U — •Matthias Kick, Cristina Grosu, Christoph Scheurer, Karsten Reuter, and Harald Oberhofer

Mi, 11:45	MM 22.6	Solid-State Li₂S-P₂S₅ Electrolytes: A DFT based Force-Field Parameterization — •Carsten Staacke, Simon Rittmeyer, Hendrik Heenen, Johannes Voss, Christoph Scheurer, Alan Luntz, and Karsten Reuter

Mi, 12:00	MM 22.7	Elastic moduli of LISICON and garnet superionics from first-principles molecular dynamics variable cell — •Giuliana Materzanini and Nicola Marzari

Mi, 12:15	MM 22.8	Cage-hopping mechanism of lithium cation diffusion in liquid thiophene-derivatives as revealed by AIMD simulations — •Pouya Partovi-Azar and Daniel Sebastiani

Mi, 12:45	MM 22.10	A first-principles based LATP force-field for grain-boundary simulations — Simon Rittmeyer, Karsten Reuter, Rüdiger Eichel, and •Christoph Scheurer

Mi, 13:00	MM 22.11	Effect of mixed surface terminations on the structural and electrochemical properties of two-dimensional Ti₃C₂T₂ and V₂CT₂ MXenes multilayers — •Nuala Mai Caffrey

Mi, 10:15	MM 23.1	Understanding field evaporation in atom probe tomography from a first-principles perspective — •Christoph Freysoldt, Michael Ashton, and Jörg Neugebauer

Mi, 10:30	MM 23.2	Evaporation Mechanisms for Field-Ionized Surface Atoms — •Michael Ashton, Christoph Freysoldt, and Joerg Neugebauer

4364 Ergebnisse auf 437 Seiten: 1 … 263 264 265 266 267 … 437