Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Deformation Mechanism Maps in High-Mn Steels. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: The thermodynamics of Fe-based compounds derived from first principles. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study on the cross-interaction between magnetism and point defects in fcc Fe. Realistic Theories of Correlated Electrons in Condensed Matter, Volga-River, Moscow, Russia (2010)
Neugebauer, J.: Ab initio Multiscale Simulations of Thermodynamic Properties up to the Melting Point. Gordon Research Conference High Temperature Materials, Processes & Diagnostics, Waterville, USA (2010)
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al-Mg-Si-Cu system. CECAM Summer School on Computational Materials Sciences, San Sebastian, Spain (2010)
Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)
Marquardt, O.; Gambaryan, K. M.; Aroutiounian, V. M.; Hickel, T.; Neugebauer, J.: Growth process, characterization and optoelectronic properties of InAsSbP dot-pit cooperative nanostructures. VCIAN 2010, Santorini, Greece (2010)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Atomistic study of martensite stability in dilute Fe-based solid solutions. PTM 2010 (Solid-Solid Phase Transformations in Inorganic Materials), Avignon, France (2010)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Duisburg University, Duisburg, Germany (2010)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Fritz-Haber-Institut der MPG, Berlin, Germany (2010)
Neugebauer, J.: Utilizing solid-solid phase transitions in the design of novel steels: An ab initio approach. PTM2010 Solid-Solid Phase Transformations in Inorganic Materials, Avignon, France (2010)
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Calphad XXXIX, Jeju Island, South Korea (2010)
The aim of this project is to develop novel nanostructured Fe-Co-Ti-X (X = Si, Ge, Sn) compositionally complex alloys (CCAs) with adjustable magnetic properties by tailoring microstructure and phase constituents through compositional and process tuning. The key aspect of this work is to build a fundamental understanding of the correlation between…
In this project, we aim to enhance the mechanical properties of an equiatomic CoCrNi medium-entropy alloy (MEA) by interstitial alloying. Carbon and nitrogen with varying contents have been added into the face-centred cubic structured CoCrNi MEA.
The aim of this project is to correlate the point defect structure of Fe1-xO to its mechanical, electrical and catalytic properties. Systematic stoichiometric variation of magnetron-sputtered Fe1-xO thin films are investigated regarding structural analysis by transition electron microscopy (TEM) and spectroscopy methods, which can reveal the defect…
In this project, links are being established between local chemical variation and the mechanical response of laser-processed metallic alloys and advanced materials.
In this project, we aim to achieve an atomic scale understanding about the structure and phase transformation process in the dual-phase high-entropy alloys (HEAs) with transformation induced plasticity (TRIP) effect. Aberration-corrected scanning transmission electron microscopy (TEM) techniques are being applied ...
Femtosecond laser pulse sequences offer a way to explore the ultrafast dynamics of charge density waves. Designing specific pulse sequences may allow us to guide the system's trajectory through the potential energy surface and achieve precise control over processes at surfaces.
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…
In this project, we investigate the phase transformation and twinning mechanisms in a typical interstitial high-entropy alloy (iHEA) via in-situ and interrupted in-situ tensile testing ...