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Related papers: Waterlike anomalies in a 2D core-softened potentia…

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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…

Soft Condensed Matter · Physics 2015-06-15 Yu. D. Fomin , V. N. Ryzhov

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 $P-\rho-T$ space along which the behavior of the…

Soft Condensed Matter · Physics 2010-10-21 Yu. D. Fomin , V. N. Ryzhov

We report extensive simulation studies of phase behaviour in single component systems of particles interacting via a core-softened interparticle potential. Two recently proposed examples of such potentials are considered; one in which the…

Statistical Mechanics · Physics 2009-11-07 Nigel B. Wilding , James E. Magee

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential.…

Soft Condensed Matter · Physics 2007-05-23 Alan B. de Oliveira , Paulo A. Netz , Thiago Colla , Marcia C. Barbosa

Using molecular dynamics simulations we investigate the thermodynamic of particles interacting with a continuous and a discrete versions of a core-softened (CS) intermolecular potential composed by a repulsive shoulder. Dynamic and…

Statistical Mechanics · Physics 2007-09-12 Alan Barros de Oliveira , Paulo A. Netz , Marcia C. Barbosa

In this paper we explore the self-assembly patterns in a two dimensional colloidal system using extensive Langevin Dynamics simulations. The pair potential proposed to model the competitive interaction have a short range length scale…

Soft Condensed Matter · Physics 2018-01-01 José Rafael Bordin

We investigate by molecular dynamics simulations a continuous isotropic core-softened potential with attractive well in three dimensions, introduced by Franzese [cond-mat/0703681, to appear on Journal of Molecular Liquids], that displays…

Statistical Mechanics · Physics 2009-10-22 Alan Barros de Oliveira , Giancarlo Franzese , Paulo A. Netz , Marcia C. Barbosa

A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…

Statistical Mechanics · Physics 2009-11-07 E. A. Jagla

We investigated the equilibrium properties of a one-dimensional system of classical particles which interact in pairs through a bounded repulsive potential with a Gaussian shape. Notwithstanding the absence of a proper fluid-solid phase…

Soft Condensed Matter · Physics 2012-01-11 Cristina Speranza , Santi Prestipino , Paolo V. Giaquinta

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…

Soft Condensed Matter · Physics 2019-10-28 Yu. D. Fomin , V. N. Ryzhov , E. N. Tsiok

We explore the structural properties of anomalous fluids confined in a nanopore using Molecular Dynamics simulations. The fluid is modeled by core-softened (CS) potentials that have a repulsive shoulder and an attractive well at a further…

Soft Condensed Matter · Physics 2014-10-22 Leandro B. Krott , José Rafael Bordin , Marcia Barbosa

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…

Soft Condensed Matter · Physics 2015-05-13 N. V. Gribova , Yu. D. Fomin , Daan Frenkel , V. N. Ryzhov

We show that the existence of the water-like anomalies in kinetic coefficients in the core-softened systems depends on the trajectory in $\rho-T$ plane along which the kinetic coefficients are calculated. In particular, it is shown that the…

Soft Condensed Matter · Physics 2010-08-06 Yu. D. Fomin , V. N. Ryzhov

Molecular dynamics simulations are used to examine the relationship between water-like anomalies and the liquid-liquid critical point in a family of model fluids with multi-Gaussian, core-softened pair interactions. The core-softened pair…

Soft Condensed Matter · Physics 2015-05-27 Evy Salcedo , Alan B. de Oliveira , Ney M. Barraz , Charusita Chakravarty , Marcia C. Barbosa

We present evidence that the concurrent existence of two populations of particles with different effective diameters is not a prerequisite for the occurrence of anomalous phase behaviors in systems of particles interacting through…

Soft Condensed Matter · Physics 2015-05-20 Santi Prestipino , Franz Saija , Gianpietro Malescio

Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…

Confinement can significantly alter fluid properties, offering potential for specific technological applications. However, achieving precise control over the structural complexity of confined fluids and soft matter remains challenging, as…

Soft Condensed Matter · Physics 2024-11-20 Fabio Leoni , Erdal C. Oğuz , Giancarlo Franzese

Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…

Chemical Physics · Physics 2013-03-06 Leandro Batirolla Krott , Marcia Cristina Bernardes Barbosa

Systems of soft-core particles interacting via a two-scale potential are studied. The potential is responsible for peaks in the structure factor of the liquid state at two different but comparable length scales, and a similar bimodal…

Soft Condensed Matter · Physics 2015-12-03 A. J. Archer , A. M. Rucklidge , E. Knobloch

In experiments the two-dimensional systems are realized mainly on solid substrates which introduce quenched disorder due to some inherent defects. The defects of substrates influence the melting scenario of the systems and have to be taken…

Soft Condensed Matter · Physics 2015-12-21 E. N. Tsiok , D. E. Dudalov , Yu. D. Fomin , V. N. Ryzhov