Ismer, L.: Lattice dynamics and thermodynamic properties of the secondary structure of proteins: A DFT-GGA based analysis, plus a short introduction to SFHIngX. Seminar, University of California, Santa Barbara, USA (2005)
Ismer, L.; Ireta, J.; Neugebauer, J.; Scheffler, M.: A DFT-GGA based thermodynamic analysis of the secondary structure of proteins. DPG-Jahrestagung, Berlin, Germany (2005)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. 448. Wilhelm und Else Heraeus-Seminar "Excitement in magnetism: Spin-dependent scattering and coupling of excitations in ferromagnets", Tegernsee, Ringberg, Germany (2009)
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg Castle, Tegernsee, Germany (2008)
Ismer, L.; Hickel, T.; Neugebauer, J.: First principles analysis of Hydrogen in Manganese-rich austentitic steels. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Ismer, L.; Hickel, T.; Neugebauer, J.: First principles study of Hydrogen in Mn-rich austenitic steels. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Ismer, L.; Ireta, J.; Neugebauer, J.: Employing DFT and periodic boundary conditions to study the thermodynamic stability of the secondary structure of proteins. ADIS 2006, Ringberg Castle (2006)
Ismer, L.; Ireta, J.; Neugebauer, J.: Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis. IPAM-Workshop: Multiscale Modeling in Soft Matter and Bio-Physics, Los Angeles, CA, USA (2005)
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.