Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q-phase in Al–Cu–Mg–Si. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin films on Cu(001). 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
Hickel, T.: Understanding complex materials at finite temperatures by ab inito methods. Colloquium at Institut für Materialwissenschaft, Universtität Stuttgart, Stuttgart, Germany (2014)
Hickel, T.: Ab initio basierte Methoden der mechanismen-orientierten Werkstoffentwicklung. Colloquium at Salzgitter-Mannesmann-Forschung GmbH, Duisburg, Germany (2014)
Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Impact of light elements on interface properties in steels. CECAM workshop “Modeling Metal Failure Across Multiple Scales”, Lausanne, Switzerland (2014)
Hickel, T.: Understanding complex materials at finite temperatures by ab inito methods. Physikalisches Kolloquium der TU Chemnitz, Chemnitz, Germany (2014)
Hickel, T.; Körmann, F.; Bleskov, I.; Neugebauer, J.: Ab Initio Based Modelling of Stacking Fault Energies in High-Strength Steels. International Seminar on Process Chain Simulation and Related Topics, Karlsruhe, Germany (2014)
Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Stacking Fault Energies: A First Principles Investigation for fcc Iron. Condensed Matter - Université Paris Descartes, Paris, France (2014)
Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Stacking Fault Energies: A First Principles Investigation for fcc Iron. TMS 2014, San Diego, CA, USA (2014)
Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio study of hydrogen trapping by kappa-carbides in an austenitic Fe matrix. DPG Frühjahrstagung, Dresden, Germany (2014)
Dutta, B.; Hickel, T.; Neugebauer, J.: Coupling of lattice dynamics and magnetism in magnetic shape memory alloys: Consequences for phase diagrams. Asia Sweden meeting on understanding functional materials from lattice dynamics (ASMFLD) conference, Indian Institute of technology Guwahati, Guwahati, India (2014)
Hickel, T.; Glensk, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics of materials up to the melting point: The role of anharmonicities. Asia Sweden Meeting on Understanding Functional Materials from Lattice dynamics, Guwahati, India (2014)
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
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…