arXiv subjects

Yu. D. Fomin

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

At least 37 records · Page 2Linked to original sources

arXiv2019

Dispersion of acoustic excitations in tetrahedral liquids

Investigation of the longitudinal and transverse excitations in liquids is of great importance for understanding the fundamentals of the liquid state of matter. One of the important questions is the temperature and density dependence of the frequency of the excitations. In our recent works it was shown that while in simple liquids the frequency of longitudinal excitations increases when the temperature is increased isochorically, in water the frequency can anomalously decrease with the temperature increase. In the present manuscript we study the dispersion curves of longitudinal and transverse excitations of water and liquid silicon modelled by Stillinger-Weber potential. We show that both substances demonstrate the anomaly of the dispersion curves, but it the case of water it is more pronounced.

cond-mat.soft↗

arXiv2019

Interplay between freezing and density anomaly in a confined core-softened system

We present a computer simulation study of influence of the confinement on the density anomaly in the system with isotropic core-softened potential which is used for a qualitative description of the anomalous behavior of water and some other liquids. We have found that a maximum temperature of the density anomaly region along an isochor $ρ=0.5$ does not depend on the pore width. We have shown that a decrease in the width of the confining slit pore leads to an increase in the crystallization temperature and as a result the local density distribution is mostly controlled by the particle-wall interaction, which leads to the depression of the density anomaly.

cond-mat.soft↗

arXiv2019

Conserving controversies of melting line of graphite and graphene

Investigation of melting line of graphite and liquid carbon has long history. However, up to now there are still numerous controversies in the field, for instance, the melting temperatures obtained in different experiments are in very bad agrement. In the present paper we compare several models of carbon widely used in computational studies and the results of ab-initio simulations of liquid carbon. We show that the empirical models fail to reproduce the properties of liquid carbon correctly. We also discuss the "melting" of graphene.

cond-mat.soft↗

arXiv2019

Quasicrystal vs Glass Transition: comparison structural and dynamical properties

Quasicrystals are solid structures with symmetry forbidden by crystallographic rules. Because of this some structural characteristics of quasicrystals, for instance, radial distribution function, can look similar to the ones of amorphous phases. This is of principal importance since radial distribution function is the main property to characterize the structure in molecular simulation. In the present paper we compare the radial distribution functions and dynamical properties of three systems in the vicinity of glass transition, quasicrystal formation and crystallization. We show that in spite of similarity of radial distribution functions the dynamical properties of a system in the vicinity of quasicrystal are qualitatively equivalent to the ones of crystal. Because of this combination the radial distribution functions with investigation of dynamics of the liquid allows unambiguously distinguish glass and quasicrystal.

cond-mat.soft↗

arXiv2019

The effect of confinement on the solid-liquid transition in a core-softened potential system

We present a comparative computer simulation study of the phase diagrams and anomalous behavior of two-dimensional ($2D$) and quasi-two-dimensional ($q2D$) classical particles interacting with each other through isotropic core-softened potential which is used for a qualitative description of the anomalous behavior of water and some other liquids. We have shown that at the low density part of the phase diagram an increase in the width of the confining slit pore leads to a considerable decrease in the melting temperature while at high densities the melting temperature is almost unchanged.

cond-mat.soft↗

arXiv2019

The influence of random pinning on the melting scenario of two-dimensional soft-disk systems

We present the results of a computer simulation study of the melting scenario of two-dimensional soft-disk systems with potential $U(r)=\varepsilon(σ/r)^n$, $n=12$ and $n=1024$, both in the presence of random pinning and without it. The melting parameters have been determined from analysis of the behavior of equations of state, correlation functions of the orientational and translational order parameters, Young modulus and renormalization group equations. The transition points obtained from these criteria are in good agreement. We have shown that the systems melted in two stages - first-order hexatic phase to liquid transition and the continuous Berezinskii-Kosterlitz-Thouless type crystal-hexatic phase transition. Random pinning widened the hexatic phase, but left the melting scenario unchanged.

cond-mat.soft↗

arXiv2019

Anomalous behavior of dispersion of longitudinal and transverse collective excitations in water

We study the dependence of the excitation frequency of water along an isochore and an isotherm crossing the region of density anomaly. We have shown that the frequency of the longitudinal excitations demonstrated anomalous dependence on temperature along the isochore. At the same time the dependence for both longitudinal and transverse excitation frequencies on density along the isotherm are very modest or even negligible in rather wide range of densities. This kind of behavior also seems anomalous in comparison with the ordinary liquids.

cond-mat.soft↗

arXiv2019

Two dimensional vortex structures with multi scale interactions in thin film superconductors

Interaction of particles of many systems can be effectively approximated by multiscale interaction potentials. Such potentials are widely used for investigation of colloidal systems and colloid-polymer mixtures, complex liquids (for instance, water) and other system. Also, it is of particular interest that effective interaction of vortices in a thin superconducting film can be approximated by a multiscale potential. The subject matter of the present paper is a system like this. Based on a multiscale potential we have shown that this system demonstrated a large number of different phases. It is particularly important that we analyze the influence of a long-range interaction of the system properties and show that properly taking into account long-range forces results in a dramatic change in the system phase diagram.

cond-mat.soft↗

arXiv2019

Possible phase transition in liquid Cesium at ambient pressure

We report a molecular dynamics study of liquid cesium at ambient pressure intended to check the possibility of liquid-liquid phase transformation at $T=590$ K. We find the presence of small kinks on thermodynamic characteristics of the system, but no phase transition.

cond-mat.soft↗

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↗

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

Supercritical Grüneisen parameter and its universality at the Frenkel line

We study thermo-mechanical properties of matter at extreme conditions deep in the supercritical state, at temperatures exceeding the critical one up to four orders of magnitude. We calculate the Grüneisen parameter γ and find that it decreases with temperature from 3 to 1 on isochores depending on the density. Our results indicate that from the perspective of thermo-mechanical properties, the supercritical state is characterized by the wide range of γ which includes the solid-like values - an interesting finding in view of the common perception of the supercritical state as being an intermediate state between gases and liquids. We rationalize this result by considering the relative weights of oscillatory and diffusive components of the supercritical system below the Frenkel line. We also find that γ is nearly constant at the Frenkel line above the critical point and explain this universality in terms of pressure and temperature scaling of system properties along the lines where particle dynamics changes qualitatively.

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

Experimental evidence of the Frenkel line in supercritical neon

Recent research suggests that the supercritical state consists of liquidlike and gaslike states where particle dynamics and key system properties are qualitatively different. We report experimental evidence of the structural crossover in supercritical neon at pressure and temperature conditions significantly exceeding the critical point values: 250$\,P_c$ and 6.6$\,T_c$. The experimental results show a crossover of the medium-range order structure evidenced by the change of the structure factor with pressure. We also observe the crossover of the short-range order structure indicated by changes in the coordination number. The relative width of the crossover is fairly narrow and is smaller than 10-12 \% in pressure and temperature. By comparing our experimental results with molecular dynamics simulations, we suggest that the observed crossover can be attributed to the Frenkel line and discuss the relationship between the structural crossover and qualitative changes of dynamical and thermodynamic properties of supercritical matter.

cond-mat.mtrl-sci↗

arXiv2017

Direct links between dynamical, thermodynamic and structural properties of liquids: modelling results

We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are well-described by the temperature dependence of the Frenkel (hopping) frequency. The agreement between predicted and calculated thermodynamic properties is seen in the notably wide range of temperature spanning tens of thousands of Kelvin. The range includes both subcritical liquids and supercritical fluids. We discuss the structural crossover and inter-relationships between structure, dynamics and thermodynamics of liquids and supercritical fluids.

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↗