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Using event driven molecular dynamics simulations, we study a three dimensional one-component system of spherical particles interacting via a discontinuous potential combining a repulsive square soft core and an attractive square well. In…

Soft Condensed Matter · Physics 2009-11-10 A. Skibinsky , S. V. Buldyrev , G. Franzese , G. Malescio , H. E. Stanley

Soft-core attractive potentials can give rise to a phase diagram with three fluid phases at different densities (gas, low-density liquid and high-density liquid), separated by first order phase transition lines ending in critical points.…

Statistical Mechanics · Physics 2009-10-22 Giancarlo Franzese

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…

Statistical Mechanics · Physics 2009-11-11 Yu. D. Fomin , V. N. Ryzhov , E. E. Tareyeva

To study the possibility of a fluid-fluid phase transition, we analyze a three-dimensional soft-core isotropic potential for a one-component system. We utilize two independent numerical approaches, (i) integral equation in the…

Soft Condensed Matter · Physics 2007-05-23 G. Franzese , G. Malescio , A. Skibinsky , S. V. Buldyrev , H. E. Stanley

We investigate the phase behavior of a single-component system in 3 dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an…

Soft Condensed Matter · Physics 2009-11-07 G. Franzese , G. Malescio , A. Skibinsky , S. V. Buldyrev , H. E. Stanley

We find that a system of particles interacting through a simple isotropic potential with a softened core is able to exhibit a rich phase behavior including: a liquid-liquid phase transition in the supercooled phase, as has been suggested…

Soft Condensed Matter · Physics 2009-10-31 G. Malescio , G. Pellicane

Molecular Dynamic and Monte Carlo studies are performed in a family of core-softened (CS) potential, composed by two length scales: a repulsive shoulder at short distances and the another a variable scale, that can be repulsive or strongly…

Soft Condensed Matter · Physics 2017-01-04 L. Pinheiro , A. P. Furlan , L. B. Krott , A. Diehl , M. C. Barbosa

Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…

Soft Condensed Matter · Physics 2008-09-17 Andrew J. Archer , Nigel B. Wilding

The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…

Soft Condensed Matter · Physics 2015-03-11 Marco Aurélio A. Barbosa , Evy Salcedo , Marcia Barbosa

Using computer simulations and a thermodynamically self consistent integral equation we investigate the phase behaviour and thermodynamic anomalies of a fluid composed of spherical particles interacting via a two-scale ramp potential (a…

Soft Condensed Matter · Physics 2008-02-27 E. Lomba , N. G. Almarza , C. Martin , C. McBride

We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…

Statistical Mechanics · Physics 2009-10-31 E. A. Jagla

The liquid-vapour phase transition near a weakly attractive surface is studied by simulations of the coexistence curves of water in hydrophobic pores. There is a pronounced gradual density depletion of the liquid phase near the surface…

Statistical Mechanics · Physics 2009-11-10 I. Brovchenko , A. Geiger , A. Oleinikova

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…

Soft Condensed Matter · Physics 2015-06-22 D. E. Dudalov , Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

Pair potentials that are bounded at the origin provide an accurate description of the effective interaction for many systems of dissolved soft macromolecules (e.g., flexible dendrimers). Using numerical free-energy calculations, we…

Soft Condensed Matter · Physics 2014-10-29 C. Speranza , S. Prestipino , G. Malescio , P. V. Giaquinta

A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…

Statistical Mechanics · Physics 2015-05-27 Vishwas V Vasisht , Shibu Saw , Srikanth Sastry

We present a simple model for an associating liquid in which polymorphism and density anomaly are connected. Our model combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational degrees…

Statistical Mechanics · Physics 2009-11-10 Vera B. Henriques , Marcia C Barbosa

We consider binary mixtures of soft repulsive spherical particles and calculate the depletion interaction between two big spheres mediated by the fluid of small spheres, using different theoretical and simulation methods. The validity of…

We study the phase behavior of a classical system of particles interacting through a strictly convex soft-repulsive potential which, at variance with the pairwise softened repulsions considered so far in the literature, lacks a region of…

Soft Condensed Matter · Physics 2009-09-17 Franz Saija , Santi Prestipino , Gianpietro Malescio

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…

Soft Condensed Matter · Physics 2019-06-14 Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…

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