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)
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 ...
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.
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 employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.
Solitonic excitations with topological properties in charge density waves may be used as information carriers in novel types of information processing.
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 conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.