Publications
X. Huang, R. Janisch, Partitioning of interstitial segregants during decohesion: a DFT case study of the Σ3 symmetric tilt grain boundary in ferritic steel Materials 12 2971 (2019) abstract
E. R. Pinatel, M. Palumbo, F. Massimino, et al. Hydrogen sorption in the LaNi5-xAlx-H system (0 ≤ x ≤ 1) Intermetallics 62 7-16 (2015) abstract
M. Kanani, A. Hartmaier, R. Janisch, Interface properties in lamellar TiAl microstructures from density functional theory Intermetallics 54 154-163 (2014) abstract
Y. Ouyang, X. Tong, C. Li, et al. Thermodynamic and physical properties of FeAl and Fe3Al: an atomistic study by EAM simulation Physica B 407 4530-4536 (2012) abstract
S. Sandlöbes, M. Friák, S. Zäfferer, et al. The relation between ductility and stacking fault energies in Mg and Mg-Y alloys Acta Materialia 60 3011-3021 (2012) abstract
L. Zhu, M. Friák, A. Dick, et al. First-principles study of the thermodynamic and elastic properties of eutectic Fe-Ti alloys Acta Materialia 60 1594-1602 (2012) abstract
D. Holec, M. Friák, J. Neugebauer, et al. Trends in the elastic response of binary early transition metal nitrides Physical Review B 85 064101 (2012) abstract
M. Friák, T. Hickel, B. Grabowski, et al. Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications European Physical Journal Plus 126 101 (2011) abstract
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