English
Related papers

Related papers: Thermodynamic, Dynamic, Structural and Excess Entr…

200 papers

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

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 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

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

This articles presents a simulation study of the applicability of the Rosenfeld entropy scaling to the systems which can not be approximated by effective hard spheres. Three systems are studied: Herzian spheres, Gauss Core Model and soft…

Soft Condensed Matter · Physics 2015-05-14 Yu. D. Fomin , N. V. Gribova , 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

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…

Statistical Mechanics · Physics 2015-06-12 Evy Salcedo , Ney Barraz , Marcia Barbosa

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

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…

Statistical Mechanics · Physics 2010-06-02 Jonathas Nunes da Silva , Evy Salcedo , Alan Barros de Oliveira , 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

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…

Soft Condensed Matter · Physics 2007-05-23 Zhenyu Yan , Sergey V. Buldyrev , Nicolas Giovambattista , Pablo G. Debenedetti , H. Eugene Stanley

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

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…

Using molecular dynamics we studied the role of the anisotropy on the phase boundary and on the anomalous behavior of 250 dimeric particles interacting by a core-softened potential. This study led us to an unexpected result: the…

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

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

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 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

2D competitive systems shows a large variety of solid and aggregate patterns, re-entrant fluid phase, a continuous melting as predicted by the KTHNY theory and, in some cases, waterlike anomalies. In this paper, we employ Langevin Dynamics…

‹ Prev 1 2 3 10 Next ›