Which mechanism underlies the water-like anomalies in core-softened potentials?
نویسندگان
چکیده
منابع مشابه
Which mechanism underlies the water-like anomalies in core-softened potentials?
Using molecular dynamics simulations we investigate the thermodynamics of particles interacting with continuous and discrete versions of a core-softened (CS) intermolecular potential composed by a repulsive shoulder. Dynamical and structural properties are also analyzed by the simulations. We show that in the continuous version of the CS potential the density at constant pressure has a maximum ...
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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 interactions have two length scales, such that the longer length scale associated with a shallow, attractive well is kept constant while the shorter length sc...
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Using collision driven molecular dynamics a system of spherical particles interacting through an effective two length scales potential is studied. The potential can be tuned by means of a single parameter, λ, from a ramp (λ = 0.5) to a square-shoulder potential (λ = 1.0) representing a family of two length scales potential in which the shortest interaction distance has higher potential energy t...
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In the first part of this paper I review the understanding of anomalous properties of water in terms of particles interacting by core-softened potentials. I discuss the origin of the bulk anomalies in terms of the two different configurations of neighbor particles: low energy–high volume and high energy–low volume. In the second part I study some anomalies of water under strong spatial confinem...
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We study the liquid anomalies arising from the Stell-Hemmer interaction, using molecular dynamics simulations and approximate 2D solutions. We observe in the liquid phase three types of anomalies: (i) An increase in specific volume upon cooling, (ii) an increase in isothermal compressibility upon cooling, and (iii) an increase in the diffusion coefficient with pressure. We relate the anomalies ...
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ژورنال
عنوان ژورنال: The European Physical Journal B
سال: 2008
ISSN: 1434-6028,1434-6036
DOI: 10.1140/epjb/e2008-00101-6