Publications

Zhou, L.; Körmann, F.; Holec, D.; Bartosik, M.; Grabowski, B.; Neugebauer, J.; Mayrhofer, P. H.: Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment. Physical Review B 90 (18), 184102 (2014)

Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Mauger, L.; Fultz, B. T.; Neugebauer, J.: Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment. Physical Review Letters 113 (16), 165503 (2014)

Palumbo, M.; Fries, S. G.; Corso, A. D.; Körmann, F.; Hickel, T.; Neugebauer, J.: Reliability evaluation of thermophysical properties from first-principles calculations. Journal of Physics: Condensed Matter 26 (33), 335401 (2014)

Ruban, A. V.; Razumovskiy, V. I.; Körmann, F.: Erratum: Spin-wave method for the total energy of paramagnetic state (Phys. Rev. B (2012) 85 (174407)). Physical Review B 89 (17), 179901 (2014)

Haghighat, S. M. H.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Neugebauer, J.; Raabe, D.: Influence of the dislocation core on the glide of the ½<111>{110} edge dislocation in bcc-iron: An embedded atom method study. Computational Materials Science 87, pp. 274 - 282 (2014)

Körmann, F.; Breidi, A. A. H.; Dudarev, S. L.; Dupin, N.; Ghosh, G.; Hickel, T.; Korzhavyi, P.; Muñoz, J. A.; Ohnuma, I.: Lambda transitions in materials science: Recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B 251 (1), pp. 53 - 80 (2014)

Haghighat, S. M. H.; Schäublin, R.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Roters, F.; Raabe, D.: Atomistic study of dislocation mobility and obstacle hardening in bcc-Fe: versatility of embedded atom method potentials. MMM2014, 7th International Conference on Multiscale Materials Modeling , Berkeley, CA, USA (2014)

Haghighat, S. M. H.; Raabe, D.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Schäublin, R.; Neugebauer, J.; Eggeler, G. F.: Recent development of modelling techniques in nano- and meso-scale simulations of dislocation dynamics. Workshop on Integrated Computational Materials Engineering (ICME), Rolduc Abbey, The Netherlands (2014)

Hickel, T.; Körmann, F.; Bleskov, I.; Neugebauer, J.: Ab Initio Based Modelling of Stacking Fault Energies in High-Strength Steels. International Seminar on Process Chain Simulation and Related Topics, Karlsruhe, Germany (2014)

Hickel, T.; Glensk, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics of materials up to the melting point: The role of anharmonicities. Asia Sweden Meeting on Understanding Functional Materials from Lattice dynamics, Guwahati, India (2014)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Impact of weak and strong magnetic coupling on the thermodynamics of chromium. DPG spring meeting 2014 , Dresden, Germany (2014)

Körmann, F.; Hickel, T.; Neugebauer, J.: Phase stabilities of metals and steels - The impact of magnetic excitations from fi rst-principles. ADIS (Ab initio Description of Iron and Steel) Conference 2014 , Ringberg Castle, Rottach-Egern, Germany (2014)

Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: Lattice dynamics in systems with magnetic disorder: Role of fluctuations investigated with the itinerant coherent potential approximation. ADIS 2014, Ringberg, Germany (2014)