Density anomaly in a fluid of softly repulsive particles embedded in a spherical surface

Prestipino, Santi; Speranza, Cristina; Giaquinta, P. V.

doi:10.1039/c2sm26706c

Cited by 14 publications

(11 citation statements)

References 30 publications

(29 reference statements)

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“…Substances as well as theoretical models which also display water-like anomalies will likely share similar features in their volume gap. We refer, for instance, to isotropic onecomponent systems which undergo, upon isothermal compression, a reentrant melting over some range of temperatures and pressures; such are the systems in which particles softly repel each other through a Gaussian potential, [28][29][30][31] a modified inverse-power potential, 32,33 or a Yoshida-Kamakura (YK) potential. [34][35][36] To confirm this hypothesis, we have carried out some preliminary calculations for the latter potential at reduced pressures P = 0.3 and 1 (values in units of the energy and length parameters of the potential) which correspond to two different regions of the phase diagram: in fact, for P = 0.3 the YK model behaves "normally," while for P = 1 the fluid phase exhibits a water-like volumetric anomaly followed, at lower temperatures, by solidification at a thermodynamic state point located on a reentrant-melting line (see Fig.…”

Section: Discussionmentioning

confidence: 99%

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Aliotta

Giaquinta

Pochylski

et al. 2013

The Journal of Chemical Physics

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The irreversible return of a supercooled liquid to stable thermodynamic equilibrium often begins as a fast process which adiabatically drives the system to solid-liquid coexistence. Only at a later stage will solidification proceed with the expected exchange of thermal energy with the external bath. In this paper we discuss some aspects of the adiabatic freezing of metastable water at constant pressure. In particular, we investigated the thermal behavior of the isobaric gap between the molar volume of supercooled water and that of the warmer ice-water mixture which eventually forms at equilibrium. The available experimental data at ambient pressure, extrapolated into the metastable region within the scheme provided by the reference IAPWS-95 formulation, show that water ordinarily expands upon (partially) freezing under isenthalpic conditions. However, the same scheme also suggests that, for increasing undercoolings, the volume gap is gradually reduced and eventually vanishes at a temperature close to the currently estimated homogeneous ice nucleation temperature. This behavior is contrasted with that of substances which do not display a volumetric anomaly. The effect of increasing pressures on the alleged volume crossover from an expanded to a contracted ice-water mixture is also discussed.

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Section: Discussionmentioning

confidence: 99%

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Aliotta

Giaquinta

Pochylski

et al. 2013

The Journal of Chemical Physics

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“…Even though clearcut phase transitions (i.e., thermodynamic singularities) cannot occur in a few-particle system, a convenient choice of boundary conditions may alleviate the difference with an infinite system, making the study of a finite quantum system valuable anyway. A practical solution is to use spherical boundary conditions (SBCs), which have often been exploited in the past to discourage long-range triangular ordering at high density [ 33 , 34 , 35 , 36 , 37 , 38 ]. On the other hand, SBCs make it possible to observe novel forms of ordering, viz.…”

Section: Introductionmentioning

confidence: 99%

Ultracold Bosons on a Regular Spherical Mesh

Prestipino

2020

Entropy

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Here, the zero-temperature phase behavior of bosonic particles living on the nodes of a regular spherical mesh (“Platonic mesh”) and interacting through an extended Bose-Hubbard Hamiltonian has been studied. Only the hard-core version of the model for two instances of Platonic mesh is considered here. Using the mean-field decoupling approximation, it is shown that the system may exist in various ground states, which can be regarded as analogs of gas, solid, supersolid, and superfluid. For one mesh, by comparing the theoretical results with the outcome of numerical diagonalization, I manage to uncover the signatures of diagonal and off-diagonal spatial orders in a finite quantum system.

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“…In such a case, the numerical investigation requires appropriate boundary conditions and the thermodynamic limit may be difficult to approach. "Spherical boundary conditions", which amount to considering the system on the surface of a sphere (or a hypersphere) where no boundaries need to be specified and increasing the radius of this sphere, have then been proposed as an alternative to the common procedure [20][21][22][23][24][25][26] On a general theoretical ground, studying the properties of a system in uniformly curved space provides an extra control parameter (the Gaussian curvature) in addition to the common thermodynamic parameters. This may prove interesting in several cases.…”

Section: Introductionmentioning

confidence: 99%

Glassy dynamics of dense particle assemblies on a spherical substrate

Vest

Tarjus

Viot

2018

The Journal of Chemical Physics

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We study by molecular dynamics simulation a dense one-component system of particles confined on a spherical substrate. We more specifically investigate the evolution of the structural and dynamical properties of the system when changing the control parameters, the temperature and the curvature of the substrate. We find that the dynamics become glassy at low temperature, with a strong slowdown of the relaxation and the emergence of dynamical heterogeneity. The prevalent local 6-fold order is frustrated by curvature and we analyze in detail the role of the topological defects in the statics and the dynamics of the particle assembly.

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Density anomaly in a fluid of softly repulsive particles embedded in a spherical surface

Cited by 14 publications

References 30 publications

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Ultracold Bosons on a Regular Spherical Mesh

Glassy dynamics of dense particle assemblies on a spherical substrate

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