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Using molecular dynamic simulations we study a family of continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. The repulsive shoulder and the well…

统计力学 · 物理学 2015-05-13 Ney M. Barraz , Evy Salcedo , Marcia C. Barbosa

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…

软凝聚态物质 · 物理学 2015-05-27 Evy Salcedo , Alan B. de Oliveira , Ney M. Barraz , Charusita Chakravarty , Marcia C. Barbosa

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…

统计力学 · 物理学 2009-10-22 Alan Barros de Oliveira , Giancarlo Franzese , Paulo A. Netz , 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…

统计力学 · 物理学 2007-09-12 Alan Barros de Oliveira , Paulo A. Netz , Marcia C. Barbosa

Using molecular dynamic simulations we study three families of continuous core-softened potentials consisting of two length scales: a shoulder scale and an attractive scale. All the families have the same slope between the two length scales…

统计力学 · 物理学 2015-05-28 Ney M. Barraz , Evy Salcedo , Marcia C. Barbosa

We report Monte Carlo results for the fluid structure of a system of dimeric particles interacting via a core-softened potential. More specifically, dimers interact through a repulsive pair potential of inverse-power form, modified in such…

软凝聚态物质 · 物理学 2016-03-08 Gianmarco Munaò , Franz Saija

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…

软凝聚态物质 · 物理学 2015-05-30 Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

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…

统计力学 · 物理学 2009-10-31 E. A. Jagla

We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…

软凝聚态物质 · 物理学 2009-10-31 A. Scala , M. Reza Sadr-Lahijany , N. Giovambattista , S. V. Buldyrev , H. E. Stanley

We use a one-dimensional (1d) core-softened potential to develop a physical picture for some of the anomalies present in liquid water. The core-softened potential mimics the effect of hydrogen bonding. The interest in the 1d system stems…

软凝聚态物质 · 物理学 2009-10-31 M. Reza Sadr-Lahijany , Antonio Scala , Sergey~V. Buldyrev , H. Eugene Stanley

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…

软凝聚态物质 · 物理学 2015-05-28 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…

软凝聚态物质 · 物理学 2014-10-22 Leandro B. Krott , José Rafael Bordin , Marcia Barbosa

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.…

统计力学 · 物理学 2009-10-22 Giancarlo Franzese

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…

软凝聚态物质 · 物理学 2015-05-19 Yu. D. Fomin , V. N. Ryzhov , E. N. Tsiok

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…

统计力学 · 物理学 2009-11-07 Nigel B. Wilding , James E. Magee

Three core-softened families of potentials are checked for the presence of density and diffusion anomalies. These potentials exhibit a repulsive core with a softening region and at larger distances an attractive well. We found that the…

统计力学 · 物理学 2015-06-12 Evy Salcedo , Ney Barraz , Marcia Barbosa

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…

软凝聚态物质 · 物理学 2015-06-22 D. E. Dudalov , Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

We investigate the equation of state, diffusion coefficient, and structural order of a family of spherically-symmetric potentials consisting of a hard core and a linear repulsive ramp. This generic potential has two characteristic length…

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…

软凝聚态物质 · 物理学 2010-10-21 Yu. D. Fomin , V. N. Ryzhov

Using molecular dynamic simulations we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. We obtain…

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