173 citations · 336 across the 6 of their papers we have counts for
6 papers
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
Nikola Koutná, Rainer Hahn, Jakub Zálešák +6
Superlattice architecture represents an effective strategy to improve performance of hard protective coatings. Our model system, MoN/TaN, combines materials well-known for their hi…
Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa carbides
P. Dey, R. Nazarov, B. Dutta +6
Carbides play a central role for the strength and ductility in many materials. Simulating the impact of these precipitates on the mechanical performance requires the knowledge abou…
Macroscopic Elastic Properties of Textured ZrN--AlN Polycrystalline Aggregates: From Ab initio Calculations to Grain-Scale Interactions
David Holec, Peter Wagner, Ferenc Tasnádi +4
Despite the fast development of computational materials modelling, theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from ba…
Ab initio study of point defects in NiTi-based alloys
David Holec, Martin Friák, Antonín Dlouhý +1
Changes in temperature or stress state may induce reversible B2(R) B19' martensitic transformations and associated shape memory effects in close-t…
Trends in the elastic response of binary early transition metal nitrides
David Holec, Martin Friák, Jörg Neugebauer +1
Motivated by an increasing demand for coherent data that can be used for selecting materials with properties tailored for specific application requirements, we studied elastic resp…
Ab initio study of pressure stabilised NiTi allotropes: pressure-induced transformations and hysteresis loops
David Holec, Martin Friák, Antonín Dlouhý +1
Changes in stoichiometric NiTi allotropes induced by hydrostatic pressure have been studied employing density functional theory. By modelling the pressure-induced transitions in a…