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Related papers: Core-softened Fluids, Water-like Anomalies and the…

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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…

Statistical Mechanics · Physics 2015-05-28 Ney M. Barraz , Evy Salcedo , Marcia C. Barbosa

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…

Soft Condensed Matter · Physics 2009-10-31 A. Scala , M. Reza Sadr-Lahijany , N. Giovambattista , S. V. Buldyrev , H. E. Stanley

By molecular dynamic simulations we study a system of particles interacting through a continuous isotropic pairwise core-softened potential consisting of a repulsive shoulder and an attractive well. The model displays a phase diagram with…

Soft Condensed Matter · Physics 2015-05-18 Pol Vilaseca , Giancarlo Franzese

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

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…

Soft Condensed Matter · Physics 2009-10-31 M. Reza Sadr-Lahijany , Antonio Scala , Sergey~V. Buldyrev , H. Eugene Stanley

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

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

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

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…

Statistical Mechanics · Physics 2015-05-13 Ney M. Barraz , Evy Salcedo , Marcia C. Barbosa

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

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 2015-05-28 Yu. D. Fomin , V. N. Ryzhov , E. N. Tsiok

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

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

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…

Soft Condensed Matter · Physics 2015-05-30 Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

In this paper we present a simulation study of density, structural and diffusion anomalies in core-softened system introduced in our previous publications. It is well-known, that with appropriate parametrization, core-softened systems are…

Soft Condensed Matter · Physics 2015-06-12 Yu. D. Fomin , E. N. Tsiok , V. N. Ryzhov

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

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…

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

Anomalous behaviour of the excess entropy ($S_e$) and the associated scaling relationship with diffusivity are compared in liquids with very different underlying interactions but similar water-like anomalies: water (SPC/E and TIP3P models),…

Soft Condensed Matter · Physics 2010-05-04 Manish Agarwal , Murari Singh , Ruchi Sharma , Mohammad Parvez Alam , Charusita Chakravarty

We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys.…

Soft Condensed Matter · Physics 2018-03-09 Saki Higuchi , Daiki Kato , Daisuke Awaji , Kang Kim
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