von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. ADIS 2010, Mechanical Properties, Ringberg, Germany (2010)
Himmerlich, M.; Lorenz, P.; Lymperakis, L.; Gutt, R.; Neugebauer, J.; Krischok, S.: GaN(0001) Surface States: A Comparison Between Photoelectron Spectroscopy and Density Functional Theory. International Workshop on Nitride Semiconductors, Tampa, Florida, USA (2010)
Lymperakis, L.; Neugebauer, J.: Ab initio Based Growth Simulations of III-Nitride Nanowires. International Workshop on Nitride Semiconductors, Tampa, Florida, USA (2010)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Embrittlement in metals: An atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Lymperakis, L.; Neugebauer, J.: Ab-initio based growth simulations of III-Nitride nanowires. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Neugebauer, J.; Raabe, D.: Extremal stiffness of crustacean cuticle through hierarchical optimization: Theory, modeling, and experiment. 3rd International Conference on Mechanics of Biomaterials & Tissues, multiscale modeling of tissue mechanical properties, Clearwater Beach, FL, USA (2009)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Understanding embrittlement in metals: A multiscale study of the Hydrogen-enhanced local plasticity mechanism. Materials Research Society (MRS) Fall meeting, Boston, MA, USA (2009)
Lymperakis, L.; Neugebauer, J.: Adatom Kinetics, Thermodynamics, and Si Incorporation on Non-Polar III-Nitride Surfaces: Implications on Nanowire Growth. 8th nternational Conference on Nitride Semiconductors, Jeju Island, South Korea (2009)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…
Ever since the discovery of electricity, chemical reactions occurring at the interface between a solid electrode and an aqueous solution have aroused great scientific interest, not least by the opportunity to influence and control the reactions by applying a voltage across the interface. Our current textbook knowledge is mostly based on mesoscopic…