Publications of Blazej Grabowski

Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Ab initio modelling of solute segregation energies to a general grain boundary. Acta Materialia 132, pp. 138 - 148 (2017)

Rogal, L.; Bobrowski, P.; Körmann, F.; Divinski, S. V.; Stein, F.; Grabowski, B.: Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy. Scientific Reports 7, 2209 (2017)

Zhang, X.; Grabowski, B.; Körmann, F.; Freysoldt, C.; Neugebauer, J.: Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B 95 (16), 165126 (2017)

Gupta, A.; Kavakbasi, B. T.; Dutta, B.; Grabowski, B.; Peterlechner, M.; Hickel, T.; Divinski, S. V.; Wilde, G.; Neugebauer, J.: Low-temperature features in the heat capacity of unary metals and intermetallics for the example of bulk aluminum and Al₃Sc. Physical Review B 95, 094307 (2017)

Ko, W.-S.; Maisel, S.; Grabowski, B.; Jeon, J. B.; Neugebauer, J.: Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys. Acta Materialia 123, pp. 90 - 101 (2017)

Kirchlechner, C.; Djaziri, S.; Li, Y.; Herbig, M.; Grabowski, B.; Nematollahi, G. A.; Goto, S.; Kirchheim, R.; Neugebauer, J.; Raabe, D. et al.; Dehm, G.: Konkurrenzlose Festigkeit durch extremes Umformen von Stahl. Stahl und Eisen 137 (8), p. 58 - 58 (2017)

Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.: Phonon broadening in High Entropy Alloys. npj Computational Materials 3, 36 (2017)

Hadian, R.; Grabowski, B.; Race, C. P.; Neugebauer, J.: Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries. Physical Review B 94 (16), 165413 (2016)

Djaziri, S.; Li, Y.; Nematollahi, G. A.; Grabowski, B.; Goto, S.; Kirchlechner, C.; Kostka, A.; Doyle, S.; Neugebauer, J.; Raabe, D. et al.; Dehm, G.: Deformation-Induced Martensite: A New Paradigm for Exceptional Steels. Advanced Materials 28 (35), pp. 7753 - 7757 (2016)

Oh, H. S.; Ma, D.; Leyson, G.; Grabowski, B.; Park, E. S.; Körmann, F.; Raabe, D.: Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment. Entropy 18 (9), p. 321 - 321 (2016)

Huang, L.; Grabowski, B.; Zhang, J.; Lai, M.; Tasan, C. C.; Sandlöbes, S.; Raabe, D.; Neugebauer, J.: From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys. Acta Materialia 113, pp. 311 - 319 (2016)

Kim, J.-K.; Ko, W.-S.; Sandlöbes, S.; Heidelmann, M.; Grabowski, B.; Raabe, D.: The role of metastable LPSO building block clusters in phase transformations of an Mg–Y–Zn alloy. Acta Materialia 112, pp. 171 - 183 (2016)

Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.: Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 93 (22), 224411 (2016)

Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 118, pp. 259 - 268 (2016)

Kaplan, B.; Korbmacher, D.; Blomqvist, A.; Grabowski, B.: Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr₃C₂. Calphad 53, pp. 72 - 77 (2016)

Nematollahi, G. A.; Grabowski, B.; Raabe, D.; Neugebauer, J.: Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia 111, pp. 321 - 334 (2016)

Leyson, G.; Grabowski, B.; Neugebauer, J.: Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 107, pp. 144 - 151 (2016)

Heidelmann, M.; Feuerbacher, M.; Ma, D.; Grabowski, B.: Structural anomaly in the high-entropy alloy ZrNbTiTaHf. Intermetallics 68, pp. 11 - 15 (2016)

Sawada, H.; Kawakami, K.; Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia 102, pp. 241 - 250 (2016)

Race, C. P.; Hadian, R.; von Pezold, J.; Grabowski, B.; Neugebauer, J.: Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 92 (17), 174115 (2015)