Complex phase diagrams of systems with isotropic potentials: results of computer simulations

Рыжов, Валентин Николаевич; Tareyeva, E. E.; Fomin, Yurii D.; Tsiok, E. N.

doi:10.3367/ufne.2018.04.038417

Cited by 34 publications

(22 citation statements)

References 260 publications

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“…It has long been known that water-like anomalies also appear in particles interacting with isotropic potentials that have two lengthscales, comprising a short-range hard-core repulsion and an intermediate range soft-core repulsion [149][150][151][152]. In these models two typical interparticle distances compete at different thermodynamic conditions.…”

Section: Alternative Modelsmentioning

confidence: 99%

The physics of Empty Liquids: from Patchy particles to Water

Russo,

Leoni,

Martelli

et al. 2021

Preprint

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Empty liquids represent a wide class of materials whose constituents arrange in a random network through reversible bonds. Many key insights on the physical properties of empty liquids have originated almost independently from the study of colloidal patchy particles on one side, and a large body of theoretical and experimental research on water on the other side. Patchy particles represent a family of coarse-grained potentials that allows for a precise control of both the geometric and the energetic aspects of bonding, while water has arguably the most complex phase diagram of any pure substance, and a puzzling amorphous phase behavior. It was only recently that the exchange of ideas from both fields has made it possible to solve long-standing problems and shed new light on the behavior of empty liquids. Here we highlight the connections between patchy particles and water, focusing on the modelling principles that make an empty liquid behave like water, including the factors that control the appearance of thermodynamic and dynamic anomalies, the possibility of liquid-liquid phase transitions, and the crystallization of open crystalline structures.

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Section: Alternative Modelsmentioning

confidence: 99%

The physics of Empty Liquids: from Patchy particles to Water

Russo,

Leoni,

Martelli

et al. 2021

Preprint

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“…While in a 3D space melting always occurs through a first-order phase transition, in 2D crystals there are known at least three different melting scenarios. To date, for microscopic description of 2D melting there are three recognized scenarios [1,2]: (i) the theory of Berezinskii -Kosterlitz -Thouless -Halperin -Nelson -Young (BKTHNY), according to which melting occurs via two continuous transitions with an intermediary hexatic phase with quasi-long-range orientational order and short-range translational order [3][4][5][6][7]; (ii) melting in one transition of the first order [8,9]; (iii) the crystal-hexatic phase transition takes place by means of a continuous transition of the Berezinskii -Kosterlitz -Thouless (BKT) type, whereas the hexatic phase-isotropic liquid transition -through a first-order transition [10][11][12][13][14]. This makes 2D systems extremely complex and interesting to study.…”

Section: Introductionmentioning

confidence: 99%

Anomalous behavior of two-dimensional Hertzian sphere system

Gaiduk¹,

Fomin²,

Tsiok³

et al. 2021

Preprint

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The anomalous behavior of a two-dimensional system of Hertzian spheres with exponent α = 7/2 has been studied using the method of molecular dynamics. The phase diagram of this system is the melting line of a triangular crystal with several maxima and minima. Water-like density and diffusion anomalies have been found in the reentrant melting regions. Noteworthy, a density anomaly has been observed not only in the liquid and hexatic but also solid phase. The calculations of the phonon spectra of longitudinal and transverse modes have yielded negative dependence of the frequency of transverse modes on density along all directions in the regions with a density anomaly. This indicates an association of the density anomaly with transverse oscillations of the crystal lattice. The regions of density and diffusion anomalies have been drawn on the phase diagram. It has been found that the stability regions of anomalous diffusion extend to temperatures well above maximum melting point T = 0.0058 of the triangular crystal. From analysis of the translational order parameter, which decreases with increasing density in the reentrant melting regions, the presence of a structural anomaly in the system has been assumed.

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“…The phase diagrams of RSS in 2d [32][33][34][35][36][37][38], 3d [31,[39][40][41][42] and very strong confinement (only one layer of the particles in a slit pore) [43] are reported in our recent papers. It was shown that this system demonstrate very complex phase behavior.…”

Section: Introductionmentioning

confidence: 99%

Crystal structures of a core-softened system confined in a narrow slit pore

Fomin,

Tsiok,

Ryzhov

2020

Preprint

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We investigate a behavior of a core-softened system in a thin slit pore (the width of the pore is equil to three diameters of the particles). In previous studies it was shown that strongly confined systems form crystalline phases which consist of several triangular or square layers. These phases can be also considered as cuts of FCC or HCP structures. We show that the behavior of the coresoftened system is more complex. We observe also a quasicrystalline phase. Moreover, the phase with two triangular layers appears at lower densities than the one with two square layers which is in contrast to the behavior of the systems studied before. These results demonstrate that the phase behavior of strongly confined systems can be even more complex than it was supposed before.

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Complex phase diagrams of systems with isotropic potentials: results of computer simulations

Cited by 34 publications

References 260 publications

The physics of Empty Liquids: from Patchy particles to Water

The physics of Empty Liquids: from Patchy particles to Water

Anomalous behavior of two-dimensional Hertzian sphere system

Crystal structures of a core-softened system confined in a narrow slit pore

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