Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J.: Self-consistent scale-bridging approach to compute the elasticity of multi-phase polycrystalline materials. Materials Research Society Symposia Proceedings 1524, pp. 17 - 23 (2013)
Holec, D.; Friák, M.; Neugebauer, J.; Mayrhofer, P. H.: Trends in the elastic response of binary early transition metal nitrides. Physical Review B 85, pp. 064101-1 - 064101-9 (2012)
Holec, D.; Friák, M.; Dlouhy, A.; Neugebauer, J.: Ab initio study of pressure stabilized NiTi allotropes: Pressure-induced transformations and hysteresis loops. Physical Review B 84, pp. 224119-1 - 224119-8 (2011)
Zelený, M.; Friák, M.; Šob, M.: Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path. Physical Review B 83, pp. 184424-1 - 184424-7 (2011)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using ab initio calculations in designing bcc MgLi–X alloys for ultra-lightweight applications. Advanced Engineering Materials 12 (12), pp. 1198 - 1205 (2010)
Enabling a ‘hydrogen economy’ requires developing fuel cells satisfying economic constraints, reasonable operating costs and long-term stability. The fuel cell is an electrochemical device that converts chemical energy into electricity by recombining water from H2 and O2, allowing to generate environmentally-friendly power for e.g. cars or houses…
In this project we study - together with the department of Prof. Neugebauer and Dr. Sandlöbes at RWTH Aachen - the underlying mechanisms that are responsible for the improved room-temperature ductility in Mg–Y alloys compared to pure Mg.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.
In this project, we work on a generic solution to design advanced high-entropy alloys (HEAs) with enhanced magnetic properties. By overturning the concept of stabilizing solid solutions in HEAs, we propose to render the massive solid solutions metastable and trigger spinodal decomposition. The motivation for starting from the HEA for this approach…
Efficient harvesting of sunlight and (photo-)electrochemical conversion into solar fuels is an emerging energy technology with enormous promise. Such emerging technologies depend critically on materials systems, in which the integration of dissimilar components and the internal interfaces that arise between them determine the functionality.
In this project, we work on the use of a combinatorial experimental approach to design advanced multicomponent multi-functional alloys with rapid alloy prototyping. We use rapid alloy prototyping to investigate five multicomponent Invar alloys with 5 at.% addition of Al, Cr, Cu, Mn and Si to a super Invar alloy (Fe63Ni32Co5; at.%), respectively…