arXiv subjects

Yu. D. Fomin

Publications and source records attributed to Yu. D. Fomin.

68 records · Page 4Linked to original sources

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↗

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↗

arXiv2010

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

cond-mat.soft↗

arXiv2010

Complex Phase Behavior of The System of Particles with Smooth Potential with Repulsive Shoulder and Attractive Well

We report a detailed simulation study of the phase behavior of core softened system with attractive well. Different repulsive shoulder widthes and attractive well depthes are considered which allows to monitor the influence of repulsive and attractive forces on the phase diagram of the system. Thermodynamic anomalies in the systems are also studied. It is shown that the diffusion anomaly is stabilized by small attraction.

cond-mat.soft↗

arXiv2010

Water-like Anomalies and Breakdown of the Rosenfeld Excess Entropy Scaling Relations for the Core-Softened Systems: Dependence on the Trajectory in Density-Temperature Plane

We show that the existence of the water-like anomalies in kinetic coefficients in the core-softened systems depends on the trajectory in $ρ-T$ plane along which the kinetic coefficients are calculated. In particular, it is shown that the diffusion anomaly does exist along the isotherms, but disappears along the isochores. We analyze the applicability of the Rosenfeld entropy scaling relations to the systems with the core-softened potentials demonstrating the water-like anomalies. It is shown that the validity of the of Rosenfeld scaling relation for the diffusion coefficient also depends on the trajectory in the $ρ-T$ plane along which the kinetic coefficients and the excess entropy are calculated. In particular, it is valid along isochors, but it breaks down along isotherms.

cond-mat.soft↗

arXiv2010

Transport coefficients of soft sphere fluids at high densities

Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, and shear viscosity of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential. The calculations have been made along the melting line in a wide range of pressures and temperatures. The validity of scaling relations for thermodynamic parameters and kinetic coefficients was checked. It was shown that the Stokes-Einstein relationship is obeyed if the Barker diameter is used as a characteristic length scale. It was also shown that the viscosity is non-monotonic along the isochores as predicted by Ya. Rosenfeld. It was shown that the viscosity is strongly growing along the melting line, however, this increase does not stimulate the glass transition because the relaxation time is decreasing.

cond-mat.soft↗

arXiv2009

Breakdown of The Excess Entropy Scaling for the Systems with Thermodynamic Anomalies

This articles presents a simulation study of the applicability of the Rosenfeld entropy scaling to the systems which can not be approximated by effective hard spheres. Three systems are studied: Herzian spheres, Gauss Core Model and soft repulsive shoulder potential. These systems demonstrate the diffusion anomalies at low temperatures: the diffusion increases with increasing density or pressure. It is shown that for the first two systems which belong to the class of bounded potentials the Rosenfeld scaling formula is valid only in the infinite temperature limit where there are no anomalies. For the soft repulsive shoulder the scaling formula is valid already at sufficiently low temperatures, however, out of the anomaly range.

cond-mat.soft↗

arXiv2008

Waterlike thermodynamic anomalies in a repulsive-step potential system

We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. The phase diagram is obtained using free-energy calculations. At low temperatures, we observe a number of distinct crystal phases. We show that at certain values of the potential parameters the system exhibits the water-like thermodynamic anomalies: density anomaly and diffusion anomaly. The anomalies disappear with increasing the repulsive step width: their locations move to the region inside the crystalline phase.

cond-mat.soft↗

arXiv2007

Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions

We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. Using free-energy calculations, we have determined the equilibrium phase diagram of this system. At low temperatures, we observe a number of distinct crystal phases. However, under certain conditions the system undergoes a glass transition in a regime where the liquid appears thermodynamically stable. We argue that the appearance of this amorphous low-temperature phase can be understood by viewing this one-component system as a pseudo-binary mixture.

cond-mat.soft↗

arXiv2006

Complex Phase Behavior of Repulsive Step Potential Systems in Three Dimensions

The comprehensive computer simulation study of the phase diagram of the repulsive step potential system in three dimensions is represented. We show that the system with a simple purely repulsive isotropic potential demonstrates a number of unusual features. The maxima and minima on the melting curve are found for some regions of potential parameters. It is shown that the phase diagram in $ρ-T$ plane includes two isostructural crystalline parts separated by the disordered phase which is amorphous at low enough temperatures. Phase diagram in the (P-T) plane shows that the transition to the amorphous state occurs approximately along the extrapolated spinodals. Structural FCC-BCC phase transition is found at high densities.

cond-mat.soft↗

arXiv2005

Generalized van der Waals theory of liquid-liquid phase transitions

In the framework of the thermodynamic perturbation theory for fluids we study how the phase diagram of an isotropic repulsive soft-core attractive potential, where a liquid-liquid phase transition exists in addition to the standard gas-liquid phase transition, changes by varying the parameters of the potential. We show that existence of the liquid-liquid transition is determined by the interplay of the parameters of the potential and the structure of a reference liquid.

cond-mat.stat-mech↗