Selected Publications and Talks
Computational Materials Design (CM)
Roman Nazarov, Tilmann Hickel, and Jörg Neugebauer, "Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies," Physical Review B 89 (14), 144108 (2014).
M. Todorova and J. Neugebauer, "Extending the concept of semiconductor defect chemistry to electrochemistry", (2013).
Jörg Neugebauer, "Ab initio thermodynamics: A novel route to understand and design structural materials", (2014).
Poulumi Dey, Roman Nazarov, Tilmann Hickel, Jörg Neugebauer, Daniel Haley, Pyuck-Pa Choi, T. Evertz, Z. Georgeou, D. Mirković, and F. Klose, "Hydrogen-carbide interactions in steels: Ab-initio calculations combined with experiment", (2014).
Interface Chemistry and Surface Engineering (GO)
Stefan Martin Wippermann, Márton Vörös, Adam Gali, Gergely T. Zimanyi, François Gygi, and Giulia Galli, "Solar nanocomposites with complementary charge extraction pathways for electrons and holes: Si embedded in ZnS", (2014).
Ioannis Katsounaros, Serhiy Cherevko, Aleksandar R. Žeradjanin, and Karl J. J. Mayrhofer, "Oxygen electrochemistry as a cornerstone for sustainable energy conversion," Angewandte Chemie International Edition 53 (1), 102-121 (2014).
Stefan Martin Wippermann and Wolf Gero Schmidt, "In/Si(111)-(4x1)/(8x2): A fascinating model system for one-dimensional conductors", (2014).
Microstructure Physics and Alloy Design (MA)
Maria Jazmin Duarte, Julia Klemm, Sebasian Oliver Klemm, Karl Johann Jakob Mayrhofer, Martin Stratmann, Sergiy Borodin, Aldo H. Romero, Milad Madinehei, Daniel Crespo, Jorge Serrano, Stephan S. A. Gerstl, Pyuck-Pa Choi, Dierk Raabe, and Frank Uwe Renner, "Element-Resolved Corrosion Analysis of Stainless-Type Glass-Forming Steels," Science 341 (6144), 372-376 (2013).
Michael Herbig, D. Raabe, Yujiao Li, Pyuck-Pa Choi, Stefan Zaefferer, and Shoji Goto, "Atomic-scale quantification of grain boundary segregation in nanocrystalline material," Physical Review Letters 112, 126103 (2014).
Dierk Raabe, Yujiao Li, Pyuck-Pa Choi, Michael Herbig, Reiner Kirchheim, and Shoji Goto, "Atomic-Scale Mechanisms of Strengthening in Wire Drawn Pearlite", (2013).
Michael Herbig, Ju-Heon Kim, Dirk Ponge, Yujiao Li, Lutz Morsdorf, Shoji Goto, Daniel Haley, Motomichi Koyama, Asif Bashir, Sergiy Vasil´ović Merzlikin, Michael Rohwerder, Eiji Akiyama, Kaneaki Tsuzaki, Margarita Kuzmina, Stefanie Sandlöbes, Pyuck-Pa Choi, Reiner Kirchheim, and Dierk Raabe, "Nanostructure Manipulation by Segregation Engineering", (2014).
Structure and Nano-/Micromechanics of Materials (SN)
A. Wimmer, A. Leitner, T. Detzel, W. Robl, W. Heinz, R. Pippan, and G. Dehm, "Damage evolution during cyclic tension-tension loading of micron-sized Cu lines," Acta Materialia 67, 297-307 (2014).
Boryana Rashkova, Michael Faller, Reinhard Pippan, and Gerhard Dehm, "Growth mechanism of Al2Cu precipitates during in situ TEM heating of a HPT deformed Al–3wt.%Cu alloy," Journal of Alloys and Compounds 600, 43-50 (2014).
Christoph Kirchlechner, Christian Motz, Peter Julian Imrich, and Gerhard Dehm, "A novel view on fatigue damage at the micron scale by in situ X-ray µLaue diffraction", (2014).
Peter Julian Imrich, Christoph Kirchlechner, Christian Motz, Jong Bae Jeon, and Gerhard Dehm, "In Situ Electron Microscopy and Micro-Laue Study of Plasticity in Miniaturized Cu Bicrystals", (2014).