Advanced Study Group Ab Initio Based Modelling (ABM)
See also for this department: Members Publications
F. Körmann, B. Grabowski, B. Dutta, et al. Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment Physical Review Letters 113 165503 (2014) abstract
J. Millán, S. Sandlöbes, A. Al-Zubi, et al. Designing Heusler nanoprecipitates by elastic misfit stabilization in Fe-Mn maraging steels Acta Materialia 76 94-105 (2014) abstract
T. Hickel, S. Sandlöbes, R.K.W. Marceau, et al. Impact of nanodiffusion on the stacking fault energy in high-strength steels Acta Materialia 75 147-155 (2014) abstract
V. Sai Pavan Bhogireddy, C. Hüter, J. Neugebauer, et al. Phase-field modeling of grain-boundary premelting using obstacle potentials Physical Review E 90 012401 (2014) abstract
M. Palumbo, S. G. Fries, A. Dal Corso, et al. Reliability evaluation of thermophysical properties from first-principles calculations Journal of Physics: Condensed Matter 26 335401 (2014) abstract
R. Nazarov, T. Hickel, J. Neugebauer, Ab initio study of H-vacancy interactions in fcc metals: implications for the formation of superabundant vacancies Physical Review B 89 144108 (2014) abstract
A. Glensk, B. Grabowski, T. Hickel, et al. Breakdown of the Arrhenius Law in describing vacancy formation energies: the importance of local anharmonicity revealed by ab initio thermodynamics Physical Review X 4 011018 (2014) abstract
F. Körmann, A. A. H. Breidi, S. L. Dudarev, et al. Lambda transitions in materials science: recent advances in CALPHAD and first-principles modelling Physica Status Solidi B 251 53-80 (2014) abstract
T. Hickel, U. R. Kattner, S. G. Fries, Computational thermodynamics: recent developments and future potential and prospects Physica Status Solidi B 251 9-13 (2014) abstract
J. Rogal, S. V. Divinski, M. Finnis, et al. Perspectives on point defect thermodynamics Physica Status Solidi B 251 97-129 (2014) abstract
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