arXiv subjects

V. N. Ryzhov

Publications and source records attributed to V. N. Ryzhov.

At least 37 records · Page 2Linked to original sources

arXiv2018

Anomalous behavior of dispersion curves in water-like systems and water

In the present paper we consider dispersion curves of longitudinal excitations of a model core-softened liquid and SPC/E model of water. We show that both systems demonstrate anomalous behavior of the excitation frequencies: the frequencies of the excitations can decrease with temperature along isochors, while in normal liquids they should increase. This observation allows to introduce one more water anomaly - anomalous dependence of excitation frequencies on temperature.

cond-mat.soft↗

arXiv2018

Stripe phase of two-dimensional core-softened systems: structure recognition

In the present paper we discuss a so called stripe phase of two-dimensional systems which was observed in computer simulation of core-softened system and in some experiments with colloidal films. We show that the stripe phase is indeed an oblique crystal and find out its unit vectors, i.e. we give a full description of the structure of this crystalline phase.

cond-mat.soft↗

arXiv2018

Phase diagram and melting scenarios of two-dimensional Hertzian spheres

We present computer simulations of a system of purely repulsive soft colloidal particles interacting via the Hertz potential and constrained to a two-dimensional plane. This potential describes the elastic interaction of weakly deformable bodies and can be a reliable model for qualitative description of behavior of soft macromolecules, like globular micelles and star polymers. We find a large number of ordered phases, including the dodecagonal quasicrystal, and analyze the melting scenarios of low density triangle and square phases. It is interesting that depending on the position on the phase diagram the system can melt both through the first order transition and in accordance with the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) scenario (two continuous transitions with the intermediate hexatic phase) and also in accordance with recently proposed two-stage melting with the first order hexatic-isotropic liquid transition and continuous solid-hexatic transition. We also demonstrate the possibility of the tricritical point on the melting line.

cond-mat.soft↗

arXiv2018

Berezinskii-Kosterlitz-Thouless and Vogel-Fulcher-Tammann criticality in $\mathrm{XY}$ model

We develop a gauge theory of the critical behavior of the topological excitations-driven Berezinskii-Kosterlitz-Thouless (BKT) phase transition in the XY model with weak quenched disorder. We find that while in two-dimensions the liquid of topological defects exhibits the BKT critical behavior, the three-dimensional system shows more singular Vogel-Fulcher-Tamman criticality heralding its freezing into a spin glass. Our findings provide insights into the topological origin of spin glass formation.

cond-mat.stat-mech↗

arXiv2017

Complex crystalline structures in a two-dimensional core-softened system

A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four, five, and six neighbors enable, leading to formation of complex crystals. The previously proposed interpolation method is generalized for calculation of pair correlations in crystals which elemental cell consists of more than one particle. A high efficiency of the method is illustrated using a snub square lattice as a representative example. Using molecular dynamics simulations, it is found that the snub square lattice is being broken under heating, generating high density quasicrystalline phase with 12-fold symmetry. Simple theoretical model is proposed to explain the physical mechanism governing this phenomenon: With density growth (from square to hexagonal phases), the concentrations of different local configurations randomly realized through plane tilling are being changed that minimizes the energy of the system. The calculated phase diagram in the intermediate region of densities justifies the existence of HD12 phase and demonstrates a cascade of the first-order transitions "square -- HD12 -- hexagonal" solid phases with the density growth. The results allow us to better understand the physical mechanisms responsive for formation of quasicrystals, and, therefore, should be of interest for broad community on material science and soft matter.

cond-mat.soft↗

arXiv2017

A novel anomalous region of water

Water is the most important liquid in the Universe. At the same time it is the most anomalous liquid. It demonstrates several dozens of anomalies, among which are density anomaly, diffusion anomaly etc. Anomalous behavior of water is a topic numerous publications. However, most of the publications investigate the anomalous behavior of water in the vicinity of critical points: the liquid-gas critical point and the second hypothetical critical point in supercooled region. Here we analyze experimental data on such properties of water as heat capacity, speed of sound, dynamic viscosity and thermal conductivity. We show that these properties demonstrate anomalous maxima and minima in a region which is far from both critical points. Therefore, we find a novel region of anomalous properties of water (anomalous triangle) which cannot be related to critical fluctuations. We also perform a molecular dynamics simulations of this region with two common water models - SPC/E and TIP4P - and show that these models fail to describe the novel anomalous region.

cond-mat.soft↗

arXiv2017

Random pinning elucidates the nature of melting transition in two-dimensional core-softened potential system

Despite about forty years of investigations, the nature of the melting transition in two dimensions is not completely clear. In the framework of the most popular Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) theory, 2D systems melt through two continuous Berezinskii-Kosterlitz-Thouless (BKT) transitions with intermediate hexatic phase. The conventional first-order transition is also possible. On the other hand, recently on the basis of computer simulations the new melting scenario was proposed with continuous BKT type solid-hexatic transition and first order hexatic-liquid transition. However, in the simulations the hexatic phase is extremely narrow that makes its study difficult. In the present paper, we propose to apply the random pinning to investigate the hexatic phase in more detail. The results of molecular dynamics simulations of two dimensional system having core-softened potentials with narrow repulsive step which is similar to the soft disk system are outlined. The system has a small fraction of pinned particles giving quenched disorder. Random pinning widens the hexatic phase without changing the melting scenario and gives the possibility to study the behavior of the diffusivity and order parameters in the vicinity of the melting transition and inside the hexatic phase.

cond-mat.soft↗

arXiv2016

Influence of random pinning on melting scenario of two-dimensional core-softened potential system

The random disorder can drastically change the melting scenario of two-dimensional systems and has to be taken into account in the interpretation of the experimental results. We present the results of the molecular dynamics simulations of the two dimensional system with the core-softened potentials with two repulsive steps in which a small fraction of the particles is pinned, inducing quenched disorder. It is shown that without the quenched disorder the system with small repulsive shoulder, which is close in the shape to the soft disks, melts in accordance with the melting scenario proposed in Refs. [30,31,33] (first-order liquid-hexatic and continuous hexatic-solid transitions). Random pinning widens the hexatic phase, but leaves the melting scenario unchanged. For the system with larger repulsive step at high densities the conventional first-order transition takes place without random pinning. However, in the presence of disorder the single first-order transition transforms into two transitions, one of them (solid-hexatic) is the continuous KTHNY-like transition, while the hexatic to isotropic liquid transition occurs as the first order transition.

cond-mat.soft↗

arXiv2015

Can random pinning change the melting scenario of two-dimensional core-softened potential system?

In experiments the two-dimensional systems are realized mainly on solid substrates which introduce quenched disorder due to some inherent defects. The defects of substrates influence the melting scenario of the systems and have to be taken into account in the interpretation of the experimental results. We present the results of the molecular dynamics simulations of the two dimensional system with the core-softened potential in which a small fraction of the particles is pinned, inducing quenched disorder.The potentials of this type are widely used for the qualitative description of the systems with the water-like anomalies. In our previous publications it was shown that the system demonstrates an anomalous melting scenario: at low densities the system melts through two continuous transition in accordance with the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory with the intermediate hexatic phase, while at high densities the conventional first order melting transition takes place. We find that the well-known disorder-induced widening of the hexatic phase occurs at low densities, while at high density part of the phase diagram random pinning transforms the first-order melting into two transitions: the continuous KTHNY-like solid-hexatic transition and first-order hexatic-isotropic liquid transition.

cond-mat.soft↗

arXiv2015

Water in Asbestos

We present the molecular simulation study of the behavior of water and sodium chloride solution confined in lizardite asbestos nanotube which is a typical example of hydrophilic confinement. The local structure, orientational and dynamic properties are studied. It is shown that the diffusion coefficient drops about two orders of magnitude comparing to the bulk case, and water in lizardite asbestos tubes experiences vitrification rather then crystallization upon cooling in accordance with the results for some other hydrophilic confinements. The behavior of sodium chloride solutions also considered and the formation of double layer is observed. It is shower that both sodium and chlorine have larger diffusion coefficients then water.

physics.chem-ph↗

arXiv2015

Approximate direct correlation function for multi-Yukawa hard-core systems

Simple closed analytical expression for approximate direct correlation function (DCF) for multi--Yukawa hard--core system of particles is presented. The obtained DCF is a solution of the Ornstein--Zernike equation with multi--Yukawa closure valid in the linear approximation in the potential. This approximation includes linear corrections to the hard-- sphere DCF inside the core radius.

cond-mat.stat-mech↗

arXiv2015

Direct evidence for strong crossover of collective excitations and positive sound dispersion in the supercritical state

Supercritical state has been viewed as an intermediate state between gases and liquids with largely unknown physical properties. Here, we address the important ability of supercritical fluids to sustain collective excitations. We directly study propagating modes on the basis of correlation functions calculated from extensive molecular dynamics simulations, and find that the supercritical system sustains propagating solid-like transverse modes below the Frenkel line but becomes devoid of transverse modes above the line where it supports longitudinal modes only. Important thermodynamic implications of this finding are discussed. We directly detect positive sound dispersion (PSD) below the Frenkel line where transverse modes are operative, quantitatively explain its magnitude on the basis of transverse and longitudinal velocities. PSD disappears above the Frenkel line which therefore demarcates the supercritical phase diagram into two areas where PSD does and does not operate.

cond-mat.stat-mech↗

arXiv2015

Degenerate approach to the mean field Bose- Hubbard Hamiltonian

A degenerate variant of mean field perturbation theory for the on-site Bose-Hubbard Hamiltonian is presented. We split the perturbation into two terms and perform exact diagonalization in the two-dimensional subspace corresponding to the degenerate states. The final relations for the second order ground state energy and first order wave function do not contain singularities at integer values of the chemical potentials. The resulting equation for the phase boundary between superfluid and Mott states coincides with the prediction based on the conventional mean field perturbation approach.

cond-mat.quant-gas↗

arXiv2015

The Behavior of Cyclohexane Confined in Slit Carbon Nanopore

It is well known that confining a liquid into a pore strongly alters the liquid behavior. Investigations of the effect of confinement are of great importance for many scientific and technological applications. Here we present a molecular dynamics study of the behavior of cyclohexane confined in carbon slit pores. The local structure and orientational ordering of cyclohexane molecules are investigated. It is shown that the system freezes with decreasing the pore width, and the freezing temperature of nanoconfined cyclohenae is higher than the bulk one.

cond-mat.soft↗

arXiv2015

Dynamical Crossover in Supercritical Core-Softened Fluids

It is well known that some liquids can demonstrate anomalous behavior. Interestingly, this be- havior can be qualitatively reproduced with simple core-softened isotropic pair-potential systems. Although anomalous properties of liquids usually take place at low and moderate temperatures it was recently recognized that many important phenomena can appear in supercritical fuids. However, no studies of supercritical behavior of core-softened fuids is reported. This paper reports a study of dynamical crossover in supercritical core-softened systems. The crossover line is calculated from three different criteria and good agreement between them is observed. It is found that the behavior of the dynamical crossover line of core-softened systems is quite complex due to its quasi-binary nature.

cond-mat.stat-mech↗

arXiv2015

Dynamical Crossover in Supercritical Water

Dynamical crossover in water is studied by means of computer simulation. The crossover temperature is calculated from the behavior of velocity autocorrelation functions. The results are compared with experimental data. It is shown that the qualitative behavior of the dynamical crossover line is similar to the melting curve behavior. Importantly, the crossover line belongs to experimentally achievable $(P,T)$ region which stimulates the experimental investigation in this field.

cond-mat.soft↗

arXiv2014

Phase diagram of the system with the repulsive shoulder potential in two dimensions: density functional approach

In the framework of the density functional theory of freezing proposed in our previous works, we calculate the phase diagram of two-dimensional system of particles interacting through the repulsive shoulder potential. This potential consists of the hard core and repulsive shoulder of the larger radius. It is shown that at low densities the system melts through the continuous transition in accordance with the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) scenario, while at high densities the conventional first order transition takes place.

cond-mat.stat-mech↗

arXiv2014

Thermodynamics and Widom lines in supercritical carbon dioxide

Behavior of supercritical fluids attracts a lot of attention nowadays. It is important both from the point of view of fundamental science and technological applications. However, up to now the progress in the field is rather moderate. In this article we report a computational study of supercritical carbon dioxide which is one of the most important fluids for chemical industry. We study the response functions of $CO_2$ in supercritical regime and calculate the locations of their maxima (Widom lines). We also make preliminary calculations of the line of crossover of microscopic dynamics of particles (Frenkel line). The conclusions on the Frenkel line location can be applied to study of the atmosphere of Venus.

cond-mat.stat-mech↗