Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of bcc Ternary Mg–Li–X (X=Ca,Al,Si,Zn,Cu) Alloys for Ultra-Lightweight Applications. Advanced Engineering Materials 12 (7), pp. 572 - 576 (2010)
von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), pp. 094203-1 - 094203-7 (2010)
Udyansky, A.; von Pezold, J.; Bugaev, N. V.; Friák, M.; Neugebauer, J.: Interplay between long-range elastic and short-range chemical interactions in Fe–C martensite formation. Physical Review B 79 (22), pp. 224112-1 - 224112-5 (2009)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using ab initio calculations in designing bcc Mg-Li alloys for ultra light-weight applications. Acta Materialia 57 (1), pp. 69 - 76 (2009)
Lymperakis, L.; Friák, M.; Neugebauer, J.: Atomistic calculations on interfaces: Bridging the length and time scales. The European Physics Journal Special Topics 177, pp. 41 - 57 (2009)
Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D.; Roters, F.: Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods. Physica Status Solidi B 245 (12), pp. 2642 - 2648 (2008)
Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Error-propagation in multiscale approaches to the elasticity of polycrystals. Physica Status Solidi (B) 245, pp. 2636 - 2641 (2008)
Counts, W. A.; Friak, M.; Battaile, C. C.; Raabe, D.; Neugebauer, J.: A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM. Physica Status Solidi B 245, pp. 2630 - 2635 (2008)
Sob, M.; Friák, M.; Wang, L. G.; Kuriplach, J.: The role of ab initio electronic structure calculations in contemporary materials science - part 2. Journal of Functional Materials 1 (11), pp. 408 - 418 (2007)
Sob, M.; Friák, M.; Wang, L. G.; Kuriplach, J.: The role of ab initio electronic structure calculations in contemporary materials science - part 1. Journal of Functional Materials 1 (10), pp. 363 - 367 (2007)
Raabe, D.; Sander, B.; Friák, M.; Ma, D.; Neugebauer, J.: Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments. Acta Materialia 55 (13), pp. 4475 - 4487 (2007)
Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, pp. 481 - 495 (Eds. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Grain boundaries are one of the most important constituents of a polycrystalline material and play a crucial role in dictating the properties of a bulk material in service or under processing conditions. Bulk properties of a material like fatigue strength, corrosion, liquid metal embrittlement, and others strongly depend on grain boundary…
Grain boundaries are one of the most prominent defects in engineering materials separating different crystallites, which determine their strength, corrosion resistance and failure. Typically, these interfaces are regarded as quasi two-dimensional defects and controlling their properties remains one of the most challenging tasks in materials…
Project A02 of the SFB1394 studies dislocations in crystallographic complex phases and investigates the effect of segregation on the structure and properties of defects in the Mg-Al-Ca System.
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 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 ...
In this project, we aim to synthetize novel ZrCu thin film metallic glasses (TFMGs) with controlled composition and nanostructure, investigating the relationship with the mechanical behavior and focusing on the nanometre scale deformation mechanisms. Moreover, we aim to study the mechanical properties of films with complex architectures such as…