arXiv subjects

I. I. Oleynik

Publications and source records attributed to I. I. Oleynik.

11 recordsLinked to original sources

arXiv2026

Nanosecond timescale plasticity in shock-compressed polycrystalline MgO: evidence for transition in mechanism above 100 GPa

The mechanical properties of ceramics under extreme conditions directly impact applications ranging from shielding spacecrafts, designing plasma facing materials in nuclear fusion to understanding the rheology of deep planetary interiors. Here, we use polycrystalline MgO as a model ceramic to understand the high-pressure-temperature mechanical behaviour of such materials under extreme strain rates. We use laser-driven shock compression up to 175(15) GPa on the principal Hugoniot along with ultrafast diagnostics at the European X-ray Free Electron Laser to probe the dominant deformation mechanisms with changing P -T conditions. These near-instantaneous time-resolved snapshots, coupled with elasto-viscoplastic self-consistent (EVPSC) simulations, strongly suggest that MgO attains plastic regime in the nanoseconds scale accompanied by a pressure-mediated change in dominant slip system between 95 and 175 GPa. This work provides a new direct window into the deformation dynamics of polycrystalline ceramics under high-velocity impacts.

cond-mat.mtrl-sci↗

arXiv2026

Volume Collapse Without a Structural Transition in Shock-Compressed FeO

We report x-ray diffraction and emission spectroscopy of FeO under laser-driven shock compression between 31-199 GPa. FeO retains the B1 (rocksalt) structure along the Hugoniot to the melt boundary at 191 GPa. While the phase and volume are broadly consistent with results from static compression, we observe an anomalous 7-10% volume collapse around 60 GPa absent in static experiments. We identify this as an isostructural high-spin to low-spin metallic transition in FeO. The low-spin state is directly evidenced by x-ray emission spectroscopy at 180 GPa.

cond-mat.mtrl-sci↗

arXiv2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren. We compare the predictions of our model with femtosecond x-ray diffraction patterns obtained from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density (HED) instrument of the European X-Ray Free-Electron Laser (EuXFEL), and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show that: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

physics.app-ph↗

arXiv2025

Femtosecond temperature measurements of laser-shocked copper deduced from the intensity of the x-ray thermal diffuse scattering

We present 50-fs, single-shot measurements of the x-ray thermal diffuse scattering (TDS) from copper foils that have been shocked via nanosecond laser-ablation up to pressures above 135~GPa. We hence deduce the x-ray Debye-Waller (DW) factor, providing a temperature measurement. The targets were laser-shocked with the DiPOLE 100-X laser at the High Energy Density (HED) endstation of the European X-ray Free-Electron Laser (EuXFEL). Single x-ray pulses, with a photon energy of 18 keV, were scattered from the samples and recorded on Varex detectors. Despite the targets being highly textured (as evinced by large variations in the elastic scattering), and with such texture changing upon compression, the absolute intensity of the azimuthally averaged inelastic TDS between the Bragg peaks is largely insensitive to these changes, and, allowing for both Compton scattering and the low-level scattering from a sacrificial ablator layer, provides a reliable measurement of $T/Θ_D^2$, where $Θ_D$ is the Debye temperature. We compare our results with the predictions of the SESAME 3336 and LEOS 290 equations of state for copper, and find good agreement within experimental errors. We thus demonstrate that single-shot temperature measurements of dynamically compressed materials can be made via thermal diffuse scattering of XFEL radation.

cond-mat.mtrl-sci↗

arXiv2005

Interface effects in spin-dependent tunneling

In the past few years the phenomenon of spin dependent tunneling (SDT) in magnetic tunnel junctions (MTJs) has aroused enormous interest and has developed into a vigorous field of research. The large tunneling magnetoresistance (TMR) observed in MTJs garnered much attention due to possible application in random access memories and magnetic field sensors. This led to a number of fundamental questions regarding the phenomenon of SDT. One such question is the role of interfaces in MTJs and their effect on the spin polarization of the tunneling current and TMR. In this paper we consider different models which suggest that the spin polarization is primarily determined by the electronic and atomic structure of the ferromagnet/insulator interfaces rather than by their bulk properties. First, we consider a simple tight-binding model which demonstrates that the existence of interface states and their contribution to the tunneling current depend on the degree of hybridization between the orbitals on metal and insulator atoms. The decisive role of the interfaces is further supported by studies of spin-dependent tunneling within realistic first-principles models of Co/vacuum/Al, Co/Al2O3/Co, Fe/MgO/Fe, and Co/SrTiO3/Co MTJs. We find that variations in the atomic potentials and bonding strength near the interfaces have a profound effect resulting in the formation of interface resonant states, which dramatically affect the spin polarization and TMR. The strong sensitivity of the tunneling spin polarization and TMR to the interface atomic and electronic structure dramatically expands the possibilities for engineering optimal MTJ properties for device applications.

cond-mat.mtrl-sci↗

arXiv2005

Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon

We report results of molecular dynamics simulation of shock wave propagation in silicon in [100], [110], and [111] directions obtained using a classical environment-dependent interatomic potential (EDIP). Several regimes of materials response are classified as a function of shock wave intensity using the calculated shock Hugoniot. Shock wave structure in [100] and [111] directions exhibit usual evolution as a function of piston velocity. At piston velocities km/s the shock wave consists of a fast elastic precursor followed by a slower plastic front. At larger piston velocities the single overdriven plastic wave propagates through the crystal causing amorphitization of Si. However, the [110] shock wave exhibits an anomalous materials response at intermediate piston velocities around km/s which is characterized by the absence of plastic deformations.

cond-mat.mtrl-sci↗

arXiv2005

Shear Stresses in Shock-Compressed Covalent Solids

Shear stresses are the driving forces for the creation of both point and extended defects in crystals subjected to high pressures and temperatures. Recently, we observed anomalous elastic materials response in shock-compressed silicon and diamond in the course of our MD simulations and were able to relate this phenomenon to non-monotonic dependence of shear stress on uniaxial compression of the material. Here we report results of combined density functional theory (DFT) and classical interatomic potentials studies of shear stresses in shock compressed covalent solids such as diamond and silicon for three low-index crystallographic directions, <100>, <110>, <111>. We observed a non-monotonic dependence of DFT shear stresses for all three crystallographic directions which indicates that anomalous elastic response of shock compressed material is a real phenomenon and not an artifact of interatomic potentials used in MD simulations.

cond-mat.mtrl-sci↗

arXiv2005

Tunneling and Resonant Conductance in One-Dimensional Molecular Structures

We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular chain. We show that the many-electron effects are of paramount importance in electron transport and they are effectively treated using a formalism of sub-barrier scattering operators. The method which calculates the total scattering amplitude of the bridge molecule not only predicts the enhancement of the amplitude of tunneling transitions in course of tunneling electron transfer through one-dimensional molecular structures but also allows us to interpret conductance mechanisms by calculating the bound energy spectrum of the tunneling electron, the energies being obtained as poles of the total scattering amplitude of the bridge molecule. We found that the resonant tunneling via bound states of the tunneling electron is the major mechanism of electron conductivity in relatively long organic molecules. The sub-barrier scattering technique naturally includes a description of tunneling in applied electric fields which allows us to calculate I-V curves at finite bias. The developed theory is applied to explain experimental findings such as bridge effect due to tunneling through organic molecules, and threshold versus Ohmic behavior of the conductance due to resonant electron transfer.

cond-mat.other↗

arXiv2005

Rectification Mechanism in Di-Block Oligomer Molecular Diodes

We investigated a mechanism of rectification in di-block oligomer diode molecules that have recently been synthesized and showed a pronounced asymmetry in the measured I-V spectrum. The observed rectification effect is due to the resonant nature of electron transfer in the system and localization properties of bound state wave functions of resonant states of the tunneling electron interacting with asymmetric molecule in an electric field. The asymmetry of the tunneling wave function is enhanced or weakened depending on the polarity of applied bias. The conceptually new theoretical approach, the Green's function theory of sub-barrier scattering, is able to provide a physically transparent explanation of this rectification effect based on the concept of the bound state spectrum of a tunneling electron. The theory predicts the characteristic features of the I-V spectrum in qualitative agreement with experiment.

cond-mat.other↗

arXiv2005

Bound states of tunneling electrons in molecular wires

We have studied the bound states of the extra electron in a molecular wire, corresponding to the physical situation of the electron tunneling through the wire. Based on formalism of the scattering operator that accounts for many-electron interactions we have shown that the energy spectrum of the bound states of the extra electron in a linear chain of three-dimensional scattering centers substantially deviates for spectrum of independent single-electron states of Bloch electrons in a system described by a single-electron effective potential. In particular, in the case of elemental wire consisting of the centers with one electronic state per center, the number of states in the band can be less than number of centers of the wire. These states form two bands instead of single band and the bands exhibit non-analytical, square root dispersion in the vicinity of the point where both bands come together. These findings are important for developing physically viable theory of electron tunneling in single molecular systems because the structure of spectrum of electron's bound states and its relative position in respect to the Fermi levels of electrodes determine specific mechanisms of electron transport through a molecular wire.

cond-mat.mtrl-sci↗

arXiv2003

Effect of interface bonding on spin-dependent tunneling from the oxidized Co surface

We demonstrate that the factorization of the tunneling transmission into the product of two surface transmission functions and a vacuum decay factor allows one to generalize Julliere's formula and explain the meaning of the ``tunneling density of states'' in some limiting cases. Using this factorization we calculate spin-dependent tunneling from clean and oxidized fcc Co surfaces through vacuum into Al using the principal-layer Green's function approach. We demonstrate that a monolayer of oxygen on the Co (111) surface creates a spin-filter effect due to the Co-O bonding which produces an additional tunneling barrier in the minority-spin channel. This changes the minority-spin dominated conductance for the clean Co surface into a majority spin dominated conductance for the oxidized Co surface.

cond-mat↗