arXiv subjects

Oleksii I. Liubchenko

Publications and source records attributed to Oleksii I. Liubchenko.

2 recordsLinked to original sources

arXiv2026

Crystallisation kinetics of supercooled liquid palladium

In this study, we employ classical molecular dynamics (MD) simulations to investigate the crystallisation kinetics of supercooled liquid palladium and relate the results to time-resolved X-ray diffraction measurements on rapidly quenched Pd thin films. Crystal nucleation and growth rates are determined over the temperature range $700$--$1150~\mathrm{K}$ ($0.38$--$0.65 T_{\mathrm{m}}$) by analysing the evolution of the microstructure during the liquid-to-crystal transition. The self-diffusion coefficient of Pd, obtained from the atomic mean-squared displacement, follows Arrhenius behaviour over the investigated temperature range, with an activation energy of $467(6)~\mathrm{meV/atom}$, consistent with available data for supercooled liquid metals. The steady-state homogeneous nucleation rate exhibits a maximum of approximately $4 \times 10^{35}~\mathrm{m^{-3} s^{-1}}$ near $0.5 T_{\mathrm{m}}$. Crystal growth occurs at velocities of the order of metres per second, with a temperature dependence consistent with diffusion-limited Wilson-Frenkel kinetics rather than the collision-limited regime. Based on multiple statistically independent simulations, a time-temperature-transformation (TTT) diagram for crystallisation onset is constructed. The TTT curve exhibits a nose near $0.5 T_{\mathrm{m}}$ and $100~\mathrm{ps}$, corresponding to a critical cooling rate for vitrification on the order of $10^{13}~\mathrm{K s^{-1}}.$ The simulations reproduce the crystallisation onset time and temperature observed in time-resolved X-ray diffraction experiments on optically molten Pd thin films quenched at $5 \times 10^{11}~\mathrm{K s^{-1}}.$ These results indicate that homogeneous, rather than heterogeneous, nucleation governs the achievable supercooling in the experimentally studied films.

cond-mat.mtrl-sci↗

arXiv2025

Orthogonal lattice distortions inside crystalline Si upon sub-threshold femtosecond laser-induced excitation

Material processing with femtosecond lasers has attracted enormous attention because of its potential for technology and industrial applications. In parallel, time-resolved x-ray diffraction has been successfully used to study ultrafast structural distortion dynamics in semiconductor thin films or surface layers. However, real-world processing applications mostly are concerned with bulk materials, which prevents the use of x-ray surface based techniques. For processing applications, a fast and depth-sensitive probe is needed. To address this, we present a novel technique based on ultrafast x-ray dynamical diffraction (UDD) capable of imaging transient strain distributions inside bulk crystals upon laser excitation. This pump-probe technique provides a complete picture of thetemporal evolution of ultrafast distorted lattice depth profiles. We demonstrate the potential of UDD by studying a thin Si single crystal upon single pulse femtosecond optical excitation. Our study reveals that below the melting threshold strong lattice distortions not only longitudinal, but also transversal to the propagation of the strain wave appear on picosecond time scales along the single crystal. The observation of this transversal deformation after laser excitation contradicts previous work that were not able to observed it, what could be related to the high sensitivity of dynamical diffraction with respect to the lattice distortions. The speed of propagation of this ultrafast transversal strain deformation is observed to be slower to the longitudinal sound speed for Si as described in the bibliography.

cond-mat.mtrl-sci↗