arXiv subjects

Vladimir A. Osipov

Publications and source records attributed to Vladimir A. Osipov.

8 recordsLinked to original sources

arXiv2026

The influence of packing protocol, size ratio, and pore structure on fractal exponents in dense polydisperse packings

We study fractal properties of systems of densely and randomly packed disks, obeying a power-law distribution of radii, which is generated by using various protocols: Delaunay triangulation (DT) and constant pressure (CP) protocols and the generalized Apollonian packing. The power-law exponents of the mass-radius relation and structure factor are obtained numerically for various values of the size ratio of the distribution, defined as the largest-to-smallest radius ratio. We show that the size ratio is an important control parameter responsible for the consistency of the fractal properties of the system: the larger the ratio, the less pronounced the finite-size effects and the better the agreement between the exponents. For the DT protocol, all three exponents coincide even at moderate values of the size ratio. For the CP protocol, the exponents are different for both moderate and large size ratios. The suppression of the exponent of the structure factor in the CP packing is explained by the specific behaviour of pores, which contain relatively large cavities. We develop an algorithm for calculating the pore size distribution and show that it is related to the exponent of the structure factor. We argue that the presence of the cavities lowers the configurational entropy and thus reduces the randomness of the CP packing. Thus the cavities reduce both packing fraction and randomness of the CP packings. Nevertheless, there is a tendency for the exponents to converge as the size ratio increases, suggesting that all the exponents become equal in the limit of an infinite size ratio.

cond-mat.soft↗

arXiv2024

Dense Random Packing of Disks With a Power-Law Size Distribution in Thermodynamic Limit: Fractal-like Properties

The correlation properties of a random system of densely packed disks, obeying a power-law size distribution, are analyzed in reciprocal space in the thermodynamic limit. This limit assumes that the total number of disks increases infinitely, while the mean density of the disk centers and the range of the size distribution are kept constant. We investigate the structure factor dependence on momentum transfer across various number of disks and extrapolate these findings to the thermodynamic limit. The fractal power-law decay of the structure factor is recovered in reciprocal space within the fractal range, which corresponds to the range of the size distribution in real space. The fractal exponent coincides with the exponent of the power-law size distribution as was shown previously by the authors [A. Yu. Cherny, E. M. Anitas, V. A. Osipov, J. Chem. Phys. 158, 044114 (2023)]. The dependence of the structure factor on density is examined. As is found, the power-law exponent remains unchanged but the fractal range shrinks when the packing fraction decreases. Additionally, the finite-size effects are studied at extremely low momenta of the order of the inverse system size. We show that the structure factor is parabolic in this region and calculate the prefactor analytically. The obtained results reveal fractal-like properties of the packing and can be used to analyze small-angle scattering from such systems.

cond-mat.soft↗

arXiv2023

Dense random packing with a power-law size distribution: the structure factor, mass-radius relation, and pair distribution function

We consider dense random packing of disks with a power-law distribution of radii and investigate their correlation properties. We study the corresponding structure factor, mass-radius relation and pair distribution function of the disk centers. A toy model of dense segments in one dimension (1d) is solved exactly. It is shown theoretically in 1d and numerically in 1d and 2d that such packing exhibits fractal properties. It is found that the exponent of the power-law distribution and the fractal dimension coincide. An approximate relation for the structure factor in arbitrary dimension is derived, which can be used as a fitting formula in small-angle scattering. The findings can be useful for understanding microstructural properties of various systems like ultra-high performance concrete, high-internal-phase ratio emulsions or biological systems.

cond-mat.soft↗

arXiv2022

Revised scattering exponents for a power-law distribution of surface and mass fractals

We consider scattering exponents arising in small-angle scattering from power-law polydisperse surface and mass fractals. It is shown that a set of fractals, whose sizes are distributed according to a power-law, can change its fractal dimension when the power-law exponent is sufficiently big. As a result, the scattering exponent corresponding to this dimension appears due to the spatial correlations between positions of different fractals. For large values of the momentum transfer, the correlations do not play any role, and the resulting scattering intensity is given by a sum of intensities of all composing fractals. The restrictions imposed on the power-law exponents are found. The obtained results generalize Martin's formulas for the scattering exponents of the polydisperse fractals.

cond-mat.mtrl-sci↗

arXiv2021

Symmetry-dependent exciton-exciton interaction and intervalley biexciton in monolayer transition metal dichalcogenides

The multivalley band structure of monolayer transition metal dichalcogenides (TMDs) gives rise to intravalley and intervalley excitons. Much knowledge of these excitons has been gained, but fundamental questions remain, such as how to describe them all in a unified picture with their correlations, how are those from different valleys coupled to form the intervalley biexciton? To address the issues, we derive an exciton Hamiltonian from interpair correlations between the constituent carriers-fermions of two excitons. Identifying excitons by irreducible representations of their point symmetry group, we find their pairwise interaction depending on interacting excitons' symmetry. It is generally repulsive, except for the case excitons from different valleys, which attract each other to form the intervalley biexciton. We establish a semianalytical relationship between the biexciton binding energy with exciton mass and dielectric characteristics of the material and surroundings. Overall, by providing insight into the nature of diverse excitons and their correlations, our theoretical model captures the exciton interaction properties permitting an inclusive description of the structure and energy features of the intervalley biexciton in monolayer TMDs.21

cond-mat.mes-hall↗

arXiv2019

Effect of fluorine patterns on electronic transport in fluorinated graphene

Within the framework of stochastic reactive molecular dynamics simulations we develop a statistical method for generating fluorinated graphene structures with desirable fluorine distribution. Electronic transport properties of fluorinated graphene in a wide range of functionalization degree and system ordering are investigated. We have found a strong correlation between irregularities in fluorine distribution and electronic properties. In particular, proposed consideration allows us to reproduce both the experimentally observed electron-hole asymmetry in transport properties of fluorinated graphene and a recently revealed conductivity peak at 10 % fluoride content.

cond-mat.mtrl-sci↗

arXiv2015

Electronic states of zigzag graphene nanoribbons with edges reconstructed with topological defects

The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz (57) edge the low-energy spectrum is markedly changed in comparison to the pristine zz edge. We found that the electronic DOS at the Fermi level is different from zero at any width of graphene nanoribbons. In contrast, for ribbons with heptagons only at one side and pentagons at another one the energy gap at the Fermi level is open and the DOS is equal to zero. The reason is the influence of uncompensated topological charges on the localized edge states, which are topological in nature. This behavior is similar to that found for the structured external electric potentials along the edges.

cond-mat.mes-hall↗

arXiv2013

Small-angle scattering from three-phase systems: Investigation of the crossover between mass fractal regimes

In this paper, we construct a three-phase model (that is, a system consisting of three homogeneous regions with various scattering length densities), which illustrate the behavior of small-angle scattering (SAS) scattering curves. Here two phases are a deterministic fractal embedded in another deterministic mass fractal, and they altogether are further embedded in a third phase, which can be a solution or solid matrix. We calculate SAS intensities, derive expressions for the crossover position (that is, the point where the power-law scattering exponent changes) as a function of control parameters, including size, concentration, and volumes of each phase. The corresponding SAS intensities from these models describe a succession of power-law regimes in momentum space where both regimes correspond to mass fractals. The models can be applied to SAS data where the absolute value of the scattering exponent of the first power-law regime is higher than that of the subsequent second power-law regime, that is, the scattering curve of convex kind near the crossover position.

cond-mat.stat-mech↗