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
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.
Data-rich experiments such as scanning transmission electron microscopy (STEM) provide large amounts of multi-dimensional raw data that encodes, via correlations or hierarchical patterns, much of the underlying materials physics. With modern instrumentation, data generation tends to be faster than human analysis, and the full information content is…
The project’s goal is to synergize experimental phase transformations dynamics, observed via scanning transmission electron microscopy, with phase-field models that will enable us to learn the continuum description of complex material systems directly from experiment.
In order to prepare raw data from scanning transmission electron microscopy for analysis, pattern detection algorithms are developed that allow to identify automatically higher-order feature such as crystalline grains, lattice defects, etc. from atomically resolved measurements.