A5026871417- Intermetallics and Advanced Alloy Properties
- Metallurgical and Alloy Processes
- Microstructure and mechanical properties
- Muon and positron interactions and applications
- Metal and Thin Film Mechanics
- Boron and Carbon Nanomaterials Research
- Advanced Chemical Physics Studies
- Surface and Thin Film Phenomena
- Microstructure and Mechanical Properties of Steels
- Semiconductor materials and interfaces
- Magnetic properties of thin films
- Rare-earth and actinide compounds
- Magnetic Properties and Applications
- Advanced Materials Characterization Techniques
- Magnetic Properties of Alloys
- High Temperature Alloys and Creep
- Heusler alloys: electronic and magnetic properties
- nanoparticles nucleation surface interactions
- High-pressure geophysics and materials
- Atomic and Molecular Physics
- MXene and MAX Phase Materials
- Copper Interconnects and Reliability
- Shape Memory Alloy Transformations
- Metallurgical Processes and Thermodynamics
- Quasicrystal Structures and Properties
Masaryk University
2015-2024
Czech Academy of Sciences, Institute of Physics of Materials
2015-2024
Central European Institute of Technology – Masaryk University
2012-2021
Central European Institute of Technology
2012-2021
Isfahan University of Technology
2020
Wuhan University
2020
Czech Academy of Sciences
1980-2012
École pour l'informatique et les nouvelles technologies
2012
Max Planck Society
2008
Ghent University
1998
We present experimental data showing that the equiatomic CrMnFeCoNi high-entropy alloy undergoes two magnetic transformations at temperatures below 100 K while maintaining its fcc structure down to 3 K. The first transition, paramagnetic spin glass, was detected 93 and second transition of ferromagnetic type occurred 38 Field-assisted cooling resulted in a systematic vertical shift hysteresis curves. Strength direction associated magnetization bias proportional strength field shows linear...
The formation of thermal vacancies in the intermetallic compound ${\mathrm{Fe}}_{76.3}$${\mathrm{Al}}_{23.7}$ was investigated between 20 and 1060 \ifmmode^\circ\else\textdegree\fi{}C by positron-lifetime measurements. positron lifetime ${\mathrm{\ensuremath{\tau}}}_{\mathit{f}}$=112 ps at indicates that no structural can be detected. increase mean \ensuremath{\tau}\ifmmode\bar\else\textasciimacron\fi{} due to vacancy starts relatively low temperatures (${\mathit{T}}_{3}$=475...
The geometric and magnetic structures of fully relaxed symmetrical tilt $\ensuremath{\Sigma}5(310)$ grain boundaries (GBs) in iron $\ensuremath{\Sigma}5(210)$ GBs nickel have been investigated using density-functional theory. We found for both an enhancement the local moments atoms GB plane ($2.55\text{ }{\ensuremath{\mu}}_{B}$ $0.67\text{ nickel) which is correlated with larger atomic volume compared to bulk. At distances from variation follows changes exchange splitting spin-polarized...
A detailed theoretical study of magnetic behavior iron along the bcc-fcc (Bain's) transformation paths at various atomic volumes, using both local spin-density approximation (LSDA) and generalized gradient (GGA), is presented. The total energies are calculated by spin-polarized full-potential linearized augmented plane waves method displayed in contour plots as functions tetragonal distortion $c/a$ volume; borderlines between phases shown. Stability \ensuremath{\gamma}-Fe discussed. topology...
First-principles electronic structure and positron-state calculations for perfect defected 3C- 6H-SiC polytypes of SiC have been performed. Monovacancies divacancies treated; the influence lattice position nitrogen impurities considered in former case. Positron affinities binding energies calculated; trends are discussed, results compared with recent atomic superposition method calculations. Experimental determination electron positron work functions same allows an assessment accuracy...
The many-body empirical potentials that describe atomic interactions in the copper-bismuth system were constructed using both experimental data and physical quantities obtained by ab initio full-potential linear muffin-tin orbital calculations for a metastable ${\mathrm{Cu}}_{3}$Bi compound. These then used to calculate structure of grain boundary copper containing bismuth, which was at same time studied high-resolution electron microscopy (HREM). Excellent agreement between calculated...
A tensile test in ferromagnetic iron for loading [001] and [111] directions is simulated by ab initio electronic structure calculations using all-electron full-potential linearized augmented-plane-wave method within the generalized gradient approximation. The theoretical strengths Young's moduli of are determined compared with those other materials. magnetic elastic behaviours under uniaxial discussed detail results isotropic tension (i.e. negative hydrostatic pressure). Marked anisotropy...
Ab initio electronic structure calculations of the ideal strength Fe, Co, Ni, and Cr under isotropic tension were performed using linear muffin-tin orbital method in atomic sphere approximation. Magnetic ordering was taken into account by means a spin-polarized calculation. Two approximations for exchange-correlation term employed: namely, local (spin) density approximation generalized gradient Computed values equilibrium lattice parameters, bulk moduli, magnetic moments compared with...
The effect of structural interface imperfections on the interlayer magnetic coupling is studied theoretically by considering (i) a macroscopic model roughness for possible fluctuations spacer thickness, and (ii) microscopic interdiffusion at ideal interfaces. For Co/Cu/Co(001) system, we found dramatic decrease amplitudes oscillations even small amount imperfections, particularly strong short period oscillations, thus indicating source discrepancy between ab initio calculations experiment....
The authors report the development of a simple and very efficient method for determination Green function an ideal semi-infinite crystal within frame tight-binding linear muffin-tin orbital method. As test method, they calculate k/sub ///-resolved layer densities states Cu(001) Cu(111) surfaces.
Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled Gibbs energy segregation. Various components segregation, standard excess ones as well other thermodynamic state functions—enthalpy, entropy volume—of interfacial are derived their physical meaning is elucidated. The importance functions boundary dependence on volume solid solubility, mutual solute–solute interaction pressure effect in ferrous...
In this study, we developed efficient plasma nanomodification strategy of graphitic carbon nitride (gCN) prepared from melamine (M-gCN) and 3-amino-1,2,4-triazole (3AT-gCN). For the first time, report surface functionalization...