Selected Publications and Talks
Computational Materials Design (CM)
Tilmann Hickel, Roman Nazarov, Eunan McEniry, Gerard Leyson, Blazej Grabowski, and Jörg Neugebauer, "Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels," JOM 66 (8), 1399-1405 (2014).
Fritz Körmann, Blazej Grabowski, Biswanath Dutta, Tilmann Hickel, L. Mauger, Brent T. Fultz, and Jörg Neugebauer, "Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment," Physical Review Letters 113 (16), 165503 (2014).
J. Neugebauer, "Materials design based on predictive ab initio thermodynamics", (2013).
Jörg Neugebauer, "Identifying H induced failure mechanisms in structural materials: A multiscale approach", (2014).
Interface Chemistry and Surface Engineering (GO)
Danish Iqbal, Julian Rechmann, Adnan Sarfraz, Abdulrahman Altin, Georgi Genchev, and Andreas Erbe, "Synthesis of ultrathin poly(methyl methacrylate) model coatings bound via organosilanes to zinc and investigation of their delamination kinetics," ACS Applied Materials & Interfaces 6 (20), 18112-18121 (2014).
Sangeetha Raman, Thomas Utzig, Theodoros Baimpos, Buddha Ratna Shrestha, and Markus Valtiner, "Deciphering the scaling of single-molecule interactions using Jarzynski's equality," Nature Communications 5, 5539 (2014).
Microstructure Physics and Alloy Design (MA)
Wei Guo, Eric Aime Jägle, Pyuck-Pa Choi, Jiahao Yao, Aleksander Kostka, Jochen Michael Schneider, and Dierk Raabe, "Shear-induced mixing governs codeformation of crystalline-amorphous nanolaminates," Physical Review Letters 113 (3), 035501 (2014).
Yuhua Wen, Huabei Peng, Dierk Raabe, Ivan Gutiérrez-Urrutia, Jie Chen, and Yuhua Wen, "Large recovery strain in Fe–Mn–Si-based shape memory steels obtained by engineering annealing twin boundaries," Nature Communications 5, 4964 (2014).
Michael Herbig, Yujiao Li, Lutz Morsdorf, Shoji Goto, Pyuck-Pa Choi, Reiner Kirchheim, and Dierk Raabe, "Bulk Nanostructured Steels", (2014).
Cemal Cem Tasan, Martin Diehl, Dingshun Yan, Claudio Zambaldi, Motomichi Koyama, Pratheek Shanthraj, Franz Roters, and Dierk Raabe, "Experimental and simulation analysis of dual phase steel micromechanics", (2014).
Structure and Nano-/Micromechanics of Materials (SN)
Peter Julian Imrich, Christoph Kirchlechner, Christian Motz, and Gerhard Dehm, "Differences in deformation behavior of bicrystalline Cu micropillars containing a twin boundary or a large-angle grain boundary," Acta Materialia 73, 240-250 (2014).
Steffen Brinckmann, Bernhard Völker, and Gerhard Dehm, "Crack deflection in multi-layered four-point bending samples," International Journal of Fracture 190 (1-2), 167-176 (2014).
C. Kirchlechner, "From Idealized Single Crystals Towards Applied Polycrystals: Insights by X-Ray μLaue Diffraction", (2014).
Gerhard Dehm, "Differences in deformation behavior of Cu structures containing individual grain boundaries", (2014).