6 citations · 18 across the 11 of their papers we have counts for
11 papers
Microstructure, tensile behavior and cyclic bendability of directly extruded biodegradable Zn, Zn-Mg and Zn-Mg-Sr wires
L. Hlodák, K. Tesař, M. Lebeda +5
Zinc-based alloys are promising biodegradable implants, yet the trade-off between strength, ductility, and bendability in thin-wire form remains poorly understood. To address this,…
Soft and chiral phonons in chiral phase of K3NiO2
Hong Dang Nguyen, Fedir Borodavka, Miroslav Lebeda +6
Raman scattering measurements confirmed the theoretical prediction that the structural phase transition from the achiral tetragonal to the chiral tetragonal phase, which occurs nea…
k-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials
Miroslav Lebeda, Jan Drahokoupil, Ludvík Löbel +1
In this study, we present a method for selecting an arbitrary number of distinct configurations from a larger data set by applying k-means clustering to atomistic configuration fin…
Field-induced spin-flip and spin-flop transitions in NdFeO3
Mariana M. Gomes, Rui Vilarinho, E. Miranda +14
Magnetic control of correlated spin systems is central to the development of next-generation spin-based technologies. Rare-earth orthoferrites provide an interesting platform in wh…
Rust-accelerated powder X-ray diffraction simulation for high-throughput and machine-learning-driven materials science
Miroslav Lebeda, Jan Drahokoupil, Petr Veřtát +1
High-throughput powder X-ray diffraction (XRD) simulations are a key prerequisite for generating large datasets used in the development of machine-learning models for XRD-based mat…
Interactive Analysis of Static, Dynamic, and Crystalline SDTrimSP Simulations: Application to Nitrogen Ion Implantation into Vanadium
Miroslav Lebeda, Jan Drahokoupil, Vojtěch Smola +1
SDTrimSP is a widely used Monte Carlo simulation code based on the Binary Collision Approximation (BCA) for modeling ion implantation and ion-solid interaction processes. While an…
Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials
Miroslav Lebeda, Jan Drahokoupil, Veronika Mazáčová +1
Understanding the behavior of light interstitial elements in multicomponent alloys remains challenging due to the complexity of local chemical environments and the high computation…
SimplySQS: An Automated and Reproducible Workflow for Special Quasirandom Structure Generation with ATAT
Miroslav Lebeda, Jan Drahokoupil, Petr Vlčák +2
The special quasirandom structure (SQS) method is widely used for modeling disordered materials under periodic boundary conditions, with the ATAT mcsqs module being one of the most…
Lattice Parameters and Bulk Modulus of SrTiMnO Perovskites: A Comparison of Exchange-Correlation Functionals with Experimental Validation
Miroslav Lebeda, Jan Drahokoupil, Stanislav Kamba +4
We assessed four exchange-correlation functionals (LDA CA-PZ, GGA parametrized by PBE, PBEsol, and WC) in predicting the lattice parameters of SrTiMn$_{\mathit{x}}…
The influence of nitrogen ion implantation on the microstructure and chemical composition of a thin layer on the biodegradable Zn-0.8Mg-0.2Sr substrate
Jan Pinc, Petr Vlcak, Miroslav Lebeda +15
In this research, the influence of the N+ ion implantation process on the microstructure of a biodegradable Zn-0.8Mg-0.2Sr alloy was investigated using various experimental techniq…
Modifying the magnetoelectric coupling in TbMnO by low-level Fe substitution
A. Maia, R. Vilarinho, C. Kadlec +6
We report a comprehensive study of the low-level substitution of Mn by Fe effect on the static and dynamic magnetoelectric coupling in TbMnFeO (,…