Selected Publications and Talks
Computational Materials Design (CM)
Gerard Leyson, Blazej Grabowski, and Jörg Neugebauer, "Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation," Acta Materialia 107, 144-151 (2016).
Biswanath Dutta, A. Çaklr, Carlotta Giacobbe, Ali Al-Zubi, Tilmann Hickel, M. Acet, and Jörg Neugebauer, "Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni–Mn–Ga," Physical Review Letters 116 (2), 025503 (2016).
Jörg Neugebauer, "Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach", (2015).
Jörg Neugebauer, "Database concepts and ICME links for atomistic simulations", (2016).
Interface Chemistry and Surface Engineering (GO)
Chang Hyuck Choi, Minho Kim, Han Chang Kwon, Sung June Cho, Seongho Yun, Hee-Tak Kim, Karl J. J. Mayrhofer, Hyungjun Kim, and Minkee Choi, "Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst," Nature Communications 7, 10922 (2016).
Shunsuke Kato, Santhosh Kumar Matam, Philipp Kerger, Laetitia Bernard, Corsin Battaglia, Dirk Vogel, Michael Rohwerder, and Andreas Züttel, "The Origin of the Catalytic Activity of a Metal Hydride in CO2 Reduction," Angewandte Chemie International Edition 55 (20), 6028 -6032 (2016).
Michael Rohwerder, "Conducting Polymers for Intelligent Self-Healing Coatings", (2016).
Microstructure Physics and Alloy Design (MA)
Jin-Kyung Kim, Won-Seok Ko, Stefanie Sandlöbes, Markus Heidelmann, Blazej Grabowski, and Dierk Raabe, "The role of metastable LPSO building block clusters in phase transformations of an Mg–Y–Zn alloy," Acta Materialia 112, 171-183 (2016).
Zhiming Li, Konda Gokuldoss Pradeep, Yun Deng, Dierk Raabe, and Cemal Cem Tasan, "Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off," Nature 534, 227-230 (2016).
Margarita Kuzmina, Baptiste Gault, Michael Herbig, Dirk Ponge, Stefanie Sandlöbes, and Dierk Raabe, "From grains to atoms: ping-pong between experiment and simulation for understanding microstructure mechanisms", (2016).
Dirk Ponge, Michael Herbig, Cemal Cem Tasan, and Dierk Raabe, "Integrated experimental and simulation analysis of dual phase steels", (2016).
Structure and Nano-/Micromechanics of Materials (SN)
Soundès Djaziri, Stephan Gleich, Hamid Bolvardi, Christoph Kirchlechner, Marcus Hans, Christina Scheu, Jochen Michael Schneider, and Gerhard Dehm, "Are Mo2BC nanocrystalline coatings damage resistant? Insights from comperative tension experiments", (2016).
Xiaolin Li, Anke Scherf, Martin Heilmaier, and Frank Stein, "The Al-Rich Part of the Fe–Al Phase Diagram," Journal of Phase Equilibra and Diffusion 37 (2), 162-173 (2016).
Martin Palm, "Development and processing of advanced iron aluminide alloys for application at high temperatures", (2016).
Christoph Kirchlechner, Nataliya Malyar, Peter Julian Imrich, and Gerhard Dehm, "X-ray µLaue diffraction to understand plasticity at interfaces", (2016).