arXiv subjects

V. N. Ryzhov

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

At least 55 records · Page 3Linked to original sources

arXiv2014

The Behavior of Benzene Confined in Single Wall Carbon Nanotube

We present the molecular dynamics study of benzene molecules confined into the single wall carbon nanotube. The local structure and orientational ordering of benzene molecules are investigated. It is found that the molecules mostly group in the middle distance from the axe of the tube to the wall. The molecules located in the vicinity of the wall demonstrate some deviation from planar shape. There is a tilted orientational ordering of the molecules which depends on the location of the molecule. It is shown that the diffusion coefficient of the benzene molecules is very small at the conditions we report here.

cond-mat.mes-hall↗

arXiv2014

Anomalous Melting Scenario of the Two-Dimensional Core-Softened System

We consider the phase behavior of two-dimensional ($2D$)system of particles with an isotropic core-softened potential introduced in our previous publications. As one can expect from the qualitative consideration for the three dimensional case, the system demonstrates a reentrant-melting transition at low densities along with waterlike anomalies in the fluid phase near the melting maximum. In contrast with the three dimensional case, in two dimensions melting is a continuous two-stage transition in the low density part of the phase diagram with an intermediate hexatic phase corresponding to the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) scenario. At the same time, at high densities the system melts through one first-order transition. We also show, that the order of the region of anomalous diffusion and the regions of density and structural anomalies are inverted in comparison with the $3D$ case and have silicalike sequence.

cond-mat.soft↗

arXiv2014

Effect of a potential softness on the solid-liquid transition in a two-dimensional core-softened potential system

In the present paper, using a molecular dynamics simulation, we study a nature of melting of a two-dimensional ($2D$) system of classical particles interacting through a purely repulsive isotropic core-softened potential which is used for the qualitative description of the anomalous behavior of water and some other liquids. We show that the melting scenario drastically depends on the potential softness and changes with increasing the width of the smooth repulsive shoulder. While at small width of the repulsive shoulder the melting transition exhibits what appears to be weakly first-order behavior, at larger values of the width a reentrant-melting transition occurs upon compression for not too high pressures, and in the low density part of the $2D$ phase diagram melting is a continuous two-stage transition, with an intermediate hexatic phase in accordance with the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) scenario. On the other hand, at high density part of the phase diagram one first-order transition takes place. These results may be useful for the qualitative understanding the behavior of water confined between two hydrophobic plates.

cond-mat.soft↗

arXiv2014

How to quantify structural anomalies in fluids?

Some fluids are known to behave anomalously. The so-called structural anomaly which means that the fluid becomes less structures under isothermal compression is among the most frequently discussed ones. Several methods for quantifying the degree of structural order are described in the literature and are used for calculating the regions of structural anomalies. It is implied that all of the structural order determinations yield qualitatively identical results. However, no explicit comparison was made. This paper presents such a comparison for the first time. the results of some definitions are shown to contradict the intuitive notion of a fluid. On the basis of this comparison we show that the structural anomaly can be most reliably determined from the behavior of the excess entropy.

cond-mat.soft↗

arXiv2014

Dynamic transition in supercritical iron

Recent advance in understanding the supercritical state posits the existence of a new line above the critical point separating two physically distinct states of matter: rigid liquid and non-rigid gas-like fluid. The location of this line, the Frenkel line, remains unknown for important real systems. Here, we map the Frenkel line on the phase diagram of supercritical iron using molecular dynamics simulations. On the basis of our data, we propose a general recipe to locate the Frenkel line for any system, the recipe that importantly does not involve system-specific detailed calculations and relies on the knowledge of the melting line only. We further discuss the relationship between the Frenkel line and the metal-insulator transition in supercritical liquid metals. Our results enable predicting the state of supercritical iron in several conditions of interest. In particular, we predict that liquid iron in the Jupiter core is in the "rigid liquid" state and is highly conducting. We finally analyse the evolution of iron conductivity in the core of smaller planets such as Earth and Venus as well as exoplanets: as planets cool off, the supercritical core undergoes the transition to the rigid-liquid conducting state at the Frenkel line.

cond-mat.stat-mech↗

arXiv2014

The "True" Widom Line for a Square-Well System

In the present paper we propose the van der Waals-like model, which allows a purely analytical study of fluid properties including the equation of state, phase behavior and supercritical fluctuations. We take a square-well system as an example and calculate its liquid - gas transition line and supercritical fluctuations. Employing this model allows us to calculate not only the thermodynamic response functions (isothermal compressibility $β_T$, isobaric heat capacity $C_P$, density fluctuations $ζ_T$, and thermal expansion coefficient $α_T$), but also the correlation length in the fluid $ξ$. It is shown that the bunch of extrema widens rapidly upon departure from the critical point. It seems that the Widom line defined in this way cannot be considered as a real boundary that divides the supercritical region into the gaslike and liquidlike regions. As it has been shown recently, the new dynamic line on the phase diagram in the supercritical region, namely the Frenkel line, can be used for this purpose.

cond-mat.soft↗

arXiv2013

Evidence for structural crossover in the supercritical state

The state of matter above the critical point is terra incognita, and is loosely discussed as a physically homogeneous flowing state where no differences can be made between a liquid and a gas and where properties undergo no marked or distinct changes with pressure and temperature. In particular, the structure of supercritical state is currently viewed to be the same everywhere on the phase diagram, and to change only gradually and in a featureless way while moving along any temperature and pressure path above the critical point. Here, we demonstrate that this is not the case, but that there is a well-defined structural crossover instead. Evidenced by the qualitative changes of distribution functions of interatomic distances and angles, the crossover demarcates liquid-like and gas-like configurations and the presence of medium-range structural correlations. Importantly, the discovered structural crossover is closely related to both dynamic and thermodynamic crossovers operating in the supercritical state, providing new unexpected fundamental interlinks between the supercritical structure, dynamics and thermodynamics.

cond-mat.stat-mech↗

arXiv2013

"Double swallow-tail" singularity and glass-glass transition in a quasibinary system

The system with the square shoulder (SS) potential is considered in the frame of Mode Coupling Theory (MCT) approach. An approximation for the structure factor is used that emphasizes the quasibinary character of the system. The qualitative phase diagram is constructed that includes continuous and discontinuous glass-glass transitions. The phase diagram is governed by two swallow tails connected with two $A_4$ singularities.

cond-mat.soft↗

arXiv2013

"Liquid-gas" transition in the supercritical region: Fundamental changes in the particle dynamics

Recently, we have proposed a new dynamic line on the phase diagram in the supercritical region. Crossing this line corresponds to the radical changes of the fluid properties. Here, we focus on the dynamics of model Lennard-Jones and Soft-Sphere fluids. We show that the change of the dynamics from the liquid-like to gas-like can be established on the basis of the velocity autocorrelation function and mean-square displacement. Using the rigorous criterion, we show that the crossover of particle dynamics and key liquid properties occurs at the same line. We further show that positive sound dispersion disappears in the vicinity of this line in both kinds of systems. The dynamic line bears no relationship to the existence of the critical point. We find that the region of existence of liquid-like dynamics narrows with the increase of the exponent of the repulsive part of inter-particle potential.

cond-mat.soft↗

arXiv2013

Viscosity anomaly in core-softened liquids

The present article presents a molecular dynamics study of several anomalies of core-softened systems. It is well known that many core-softened liquids demonstrate diffusion anomaly. Usual intuition relates the diffusion coefficient to shear viscosity via Stockes-Einstein relation. However, it can break down at low temperature. In this respect it is important to see if viscosity also demonstrates anomalous behavior.

cond-mat.soft↗

arXiv2013

Properties of Liquid Iron along the Melting Line up to the Earth-core Pressures

We report a molecular dynamics study of transport coefficients and infinite frequency shear mod- ulus of liquid iron at high temperatures and high pressures. We observe a simultaneous rise of both shear viscosity and diffusion coefficient along the melting line and estimate if liquid iron can vitrify under Earth-core conditions. We show that in frames of the model studied in our work iron demonstrates a moderate increase of viscosity along the melting line. It is also demonstrated that in the limit of high temperatures and high pressures the liquid iron behaves similar to the soft spheres system with exponent n=4.6.

cond-mat.mtrl-sci↗

arXiv2013

Silica-Like Sequence of Anomalies in Core-Softened Systems

In this paper we present a simulation study of density, structural and diffusion anomalies in core-softened system introduced in our previous publications. It is well-known, that with appropriate parametrization, core-softened systems are remarkable model liquids that exhibit anomalous properties observed in tetrahedral liquids such as silica and water. It is widely believed that core-softened potentials demonstrate the water-like sequence of anomalies. We show that with increasing the depth of the attractive part of the potential the order of the region of anomalous diffusion and the regions of density and structural anomalies is inverted and have the silica-like sequence. We also show that the slope of the Widom line is negative like in water.

cond-mat.soft↗

arXiv2013

Superfragile glassy dynamics of onecomponent system with isotropic potential: competition of diffusion and frustration

We investigate glassy dynamical properties of one component three-dimensional system of particles interacting via pair repulsive potential by the molecular dynamic simulation in the wide region of densities. The glass state is superfragile and it has high glassforming ability. The glass transition temperature Tg has pronounced minimum at densities where the frustration is maximal.

cond-mat.soft↗

arXiv2011

Inversion of Sequence of Diffusion and Density Anomalies in Core-Softened Systems

In this paper we present a simulation study of water-like anomalies in core-softened system introduced in our previous publications. We investigate the anomalous regions for a system with the same functional form of the potential but with different parameters and show that the order of the region of anomalous diffusion and the region of density anomaly is inverted with increasing the width of the repulsive shoulder.

cond-mat.soft↗

arXiv2011

Two liquid states of matter: A new dynamic line on a phase diagram

It is generally agreed that the supercritical region of a liquid consists of one single state (supercritical fluid). On the other hand, we show here that liquids in this region exist in two qualitatively different states: "rigid" and "non-rigid" liquid. Rigid to non-rigid transition corresponds to the condition τ ~ τ0, where τis liquid relaxation time and τ0 is the minimal period of transverse quasi-harmonic waves. This condition defines a new dynamic line on the phase diagram, and corresponds to the loss of shear stiffness of a liquid at all available frequencies, and consequently to the qualitative change of many important liquid properties. We analyze the dynamic line theoretically as well as in real and model liquids, and show that the transition corresponds to the disappearance of high-frequency sound, qualitative changes of diffusion and viscous flow, increase of particle thermal speed to half of the speed of sound and reduction of the constant volume specific heat to 2kB per particle. In contrast to the Widom line that exists near the critical point only, the new dynamic line is universal: it separates two liquid states at arbitrarily high pressure and temperature, and exists in systems where liquid - gas transition and the critical point are absent overall.

cond-mat.stat-mech↗

arXiv2011

Core-Softened System With Attraction: Trajectory Dependence of Anomalous Behavior

In the present article we carry out a molecular dynamics study of the core-softened system and show that the existence of the water-like anomalies in this system depends on the trajectory in $P-ρ-T$ space along which the behavior of the system is studied. For example, diffusion and structural anomalies are visible along isotherms as a function of density, but disappears along the isochores and isobars as a function of temperature. On the other hand, the diffusion anomaly may be seen along adiabats as a function of temperature, density and pressure. It should be noted that it may be no signature of a particular anomaly along a particular trajectory, but the anomalous region for that particular anomaly can be defined when all possible trajectories in the same space are examined (for example, signature of diffusion anomaly is evident through the crossing of different isochors. However, there is no signature of diffusion anomaly along a particular isochor). We also analyze the applicability of the Rosenfeld entropy scaling relations to this system in the regions with the water-like anomalies. It is shown that the validity of the Rosenfeld scaling relation for the diffusion coefficient also depends on the trajectory in the $P-ρ-T$ space along which the kinetic coefficients and the excess entropy are calculated.

cond-mat.soft↗

arXiv2011

Van-der-Waals supercritical fluid: Exact formulas for special lines

In the framework of the van-der-Waals model, analytical expressions for the locus of extrema (ridges) for heat capacity, thermal expansion coefficient, compressibility, density fluctuation, and sound velocity in the supercritical region have been obtained. It was found that the ridges for different thermodynamic values virtually merge into single Widom line only at $T<1.07 T_c, P<1.25P_c$ and become smeared at $T<2T_c, P<5P_c$, where $T_c$ and $P_c$ are the critical temperature and pressure. The behavior of the Batschinski lines and the pseudo-Gruneisen parameter $γ$ of a van-der-Waals fluid were analyzed. In the critical point, the van-der-Waals fluid has $γ=8/3$, corresponding to a soft sphere particle system with exponent $n=14$.

cond-mat.soft↗

arXiv2010

Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in ($PρT$) Space

cond-mat.soft↗