Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Ab initio based determination of thermodynamic properties of cementite including vibronic, magnetic and electronic excitations. Physical Review B 84 (12), 125101 (2011)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Role of spin quantization in determining the thermodynamic properties of magnetic transition metals. Physical Review B 83 (16), 165114 (2011)
Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia 59, pp. 3041 - 3048 (2011)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron. Physical Review B 81 (13), pp. 134425 - 134434 (2010)
von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), pp. 094203-1 - 094203-7 (2010)
Dick, A.; Hickel, T.; Neugebauer, J.: The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – A First Principles Study. Steel Research International 80 (9), pp. 603 - 608 (2009)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 79, 184406, pp. 184406-1 - 184406-5 (2009)
Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J.: Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 78, 033102 (2008)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
About 90% of all mechanical service failures are caused by fatigue. Avoiding fatigue failure requires addressing the wide knowledge gap regarding the micromechanical processes governing damage under cyclic loading, which may be fundamentally different from that under static loading. This is particularly true for deformation-induced martensitic…
With the support of DFG, in this project the interaction of H with mechanical, chemical and electrochemical properties in ferritic Fe-based alloys is investigated by the means of in-situ nanoindentation, which can characterize the mechanical behavior of independent features within a material upon the simultaneous charge of H.
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.