von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. Asia Steel Conference 2009, Busan, South Korea (2009)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen-enhanced local plasticity mechanism (HELP). Fruehjahrstagung der Deutschen Physikalischen Gesellschaft 2009, Dresden, Germany (2009)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of hydrogen embrittlement in metals: Revisitting the Hydrogen-enhanced local plasticity mechanism. APS March Meeting, Pittsburgh, PA, USA (2009)
Lymperakis, L.: Ab-initio based calculations: From semiconductors, to metals, and bio-inspired materials. Colloquium, Physics Department, University of Crete, Heraklion, Greece (2009)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Ground-state structure and elastic anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Materials Research Society meeting (MRS), Boston, MA, USA (2008)
Lymperakis, L.; Neugebauer, J.: Ab initio study of Thermodynamics and adatom kinetics on non-polar GaN surfaces: Consequences on the growth morphology and the formation of nanowires. International Workshop on Nitride Semiconductors, Montreux, Switzerland (2008)
Lymperakis, L.; Neugebauer, J.: Growth simulations of non-polar GaN surfaces: Thermodynamics, kinetics and dopant incorporations. Bremen DFG Forschergruppe: Workshop in Riezlern, Reizlern, Austria (2008)
Lymperakis, L.; Neugebauer, J.: Thermodynamics and adatom kinetic on non-polar GaN surfaces: origin of a strong growth anisotropy. E-MRS Spring meeting, Strasbourg, France (2008)
Lymperakis, L.; Neugebauer, J.: Ab-initio based calculation of GaN surfaces, interfaces, and extended defects. Colloquium Paul-Drude-Institut Berlin, Berlin, Germany (2008)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
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
The Atom Probe Tomography group in the Microstructure Physics and Alloy Design department is developing integrated protocols for ultra-high vacuum cryogenic specimen transfer between platforms without exposure to atmospheric contamination.
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…
Here, we aim to develop machine-learning enhanced atom probe tomography approaches to reveal chemical short/long-range order (S/LRO) in a series of metallic materials.
While Density Functional Theory (DFT) is in principle exact, the exchange functional remains unknown, which limits the accuracy of DFT simulation. Still, in addition to the accuracy of the exchange functional, the quality of material properties calculated with DFT is also restricted by the choice of finite bases sets.
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.
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…