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)
Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)
Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Consequences of H-Vacancy Interactions: An Ab Initio Insight. International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Accelerated self-diffusion in fcc metals due to H induced superabundant vacancies. TMS 2012 Meeting, Orlando, FL, USA (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Influence of alloying elements on solubility and diffusivity of H in different steel phases. HYDRAMYCROS Workshop, Ghent, Belgium (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Thermodynamics and kinetics of H interaction with vacancies in fcc metals. ADIS 2012 Workshop, Ringberg, Germany (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: H solubility in different steel phases: Influence of alloying elements and strain. HYDRAMICROS Workshop, Otaniemi, Finland (2011)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Thermodynamics and kinetics of hydrogen interaction with point defects. CM-Workshop, Attendorn, Germany (2011)
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
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…
Integrated Computational Materials Engineering (ICME) is one of the emerging hot topics in Computational Materials Simulation during the last years. It aims at the integration of simulation tools at different length scales and along the processing chain to predict and optimize final component properties.