13 citations · 27 across the 4 of their papers we have counts for
5 papers · 1 filter
High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system: properties and high-temperature stability
Pavel Souček, Stanislava Debnárová, Šárka Zuzjaková +9
High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system were studied using ab initio calculations and experiments to clarify the role of entropy and individual el…
Machine-learning potentials for structurally and chemically complex MAB phases: strain hardening and ripplocation-mediated plasticity
Nikola Koutná, Shuyao Lin, Lars Hultman +2
Though offering unprecedented pathways to molecular dynamics (MD) simulations of technologically-relevant materials and conditions, machine-learning interatomic potentials (MLIPs)…
Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations
Nikola Koutná, Lars Hultman, Paul H. Mayrhofer +1
MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast…
On energetics of allotrope transformations in transition-metal diborides via plane-by-plane shearing
Thomas Leiner, Nikola Koutná, Jozef Janovec +3
Transition metal diborides crystallise in the , , or type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0…
Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: a first-principles study
Nikola Koutná, David Holec, Martin Friák +2
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another mat…