Leineweber, A.; Berger, T.; Udyansky, A.; Bugaev, V. N.; Duppel, V.: The incommensurate crystal structure of the Pd5b1-z phase; B ordering driven by elastic interaction between B atoms. Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials 229 (5), pp. 353 - 367 (2014)
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)
Zhu, L.-F.; Friák, M.; Dick, A.; Udyansky, A.; Neugebauer, J.: First principles study of elastic properties of eutectic Ti-Fe alloys up to their mechanical stability limits. DPG Spring Meeting 2011, Dresden, Germany (2011)
von Pezold, J.; Udyansky, A.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-Induced Metal-Hydrogen Interactions across the First Transition Series – An Ab Initio Study of Hydrogen Embrittlement. TMS 2011 Meeting, San Diego, CA, USA (2011)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Atomistic study of martensite stability in dilute Fe-based solid solutions. PTM 2010 (Solid-Solid Phase Transformations in Inorganic Materials), Avignon, France (2010)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Impurity ordering in iron: An ab initio based multi-scale approach. GraCoS Workshop (Carbon and Nitrogen in Steels: Measurement, Phase Transformations and Mechanical Properties), Rouen, France (2010)
Udyansky, A.; von Pezold, J.; Neugebauer, J.: Multi-scale modeling of martensite formation in Fe-based solid solutions. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Computational study of interstitial ordering in bcc iron. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
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
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
Conventional alloy development methodologies which specify a single base element and several alloying elements have been unable to introduce new alloys at an acceptable rate for the increasingly specialised application requirements of modern technologies. An alternative alloy development strategy searches the previously unexplored central regions…
The development of pyiron started in 2011 in the CM department to foster the implementation, rapid prototyping and application of the highly advanced fully ab initio simulation techniques developed by the department. The pyiron platform bundles the different steps occurring in a typical simulation life cycle in a single software platform and…