Advanced Study Group Ab Initio Based Modelling (ABM)
See also for this department: Members Publications
L. Lymperakis, M. Friák, J. Neugebauer, Atomistic calculations on interfaces: bridging the length and time scales The European Physics Journal - Special Topics 177 41-57 (2009) abstract
A. Dick, T. Hickel, J. Neugebauer, The effect of disorder on the concentration-dependence of stacking fault energies in Fe1-xMnx - A first principles study Steel Research International 80 603 - 608 (2009) abstract
A. Udyansky, J. von Pezold, V. N. Bugaev, et al. Interplay between long-range elastic and short-range chemical interactions on Fe-C martensite formation Physical Review B 79 224112, 1-5 (2009) abstract
F. Körmann, A. Dick, T. Hickel, et al. Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations Physical Review B 79 184406-184411 (2009) abstract
B. Grabowski, L. Ismer, T. Hickel, et al. Ab initio up to the melting point: anharmonicity and vacancies in aluminium Physical Review B 79 134106, 1-16 (2009) abstract
M. A. Uijttewaal, T. Hickel, J. Neugebauer, et al. Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principles Physical Review Letters 102 035702, 1-4 (2009) abstract
W. A. Counts, M. Friák, D. Raabe, et al. Using ab initio calculations in designing bcc Mg–Li alloys for ultra-lightweight applications Acta Materialia 57 69-76 (2009) abstract
T. Hickel, A. Dick, B. Grabowski, et al. Steel design from fully parameter-free ab initio computer simulations Steel Research International 80 4-8 (2009) abstract
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