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We have studied the structure and thermodynamic properties of isotropic three-dimensional core-softened fluid by using the second-order Ornstein-Zernike integral equations completed by the hypernetted chain and Percus-Yevick closures. The…

Soft Condensed Matter · Physics 2011-06-17 O. Pizio , Z. Sokolowska , S. Sokolowski

We report an analysis of the stretching peak appearing in the IR experimental spectra of liquid water. In the literature, ATR-IR spectroscopic measurements were repeatedly performed in a wide range of temperature and gave rise to a lively…

Soft Condensed Matter · Physics 2013-10-03 A. De Ninno , E. Del Giudice , L. Gamberale , A. Congiu Castellano

We use the hyper-netted chain approximation of liquid state theory to analyze the evolution with density of the pair correlation function in a model of soft spheres with harmonic repulsion. As observed in recent experiments on jammed soft…

Statistical Mechanics · Physics 2010-10-01 Hugo Jacquin , Ludovic Berthier

We consider a phase-separating mixture of active and passive fluids and explore morphological asymmetries of the emerging dominantly bicontinous dynamic emulsion. Two-dimensional numerical simulations reveal that the geometric and…

Soft Condensed Matter · Physics 2026-01-22 Rainer Backofen , Axel Voigt

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…

We investigated the equilibrium properties of a one-dimensional system of classical particles which interact in pairs through a bounded repulsive potential with a Gaussian shape. Notwithstanding the absence of a proper fluid-solid phase…

Soft Condensed Matter · Physics 2012-01-11 Cristina Speranza , Santi Prestipino , Paolo V. Giaquinta

In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending at a critical point, but a connection to ambient conditions…

Soft Condensed Matter · Physics 2011-06-27 K. T. Wikfeldt , A. Nilsson , L. G. M. Pettersson

We report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive step potential. The phase diagram is obtained using free-energy calculations. At low temperatures, we observe…

Soft Condensed Matter · Physics 2015-05-13 N. V. Gribova , Yu. D. Fomin , Daan Frenkel , V. N. Ryzhov

Strongly confined active liquids are subject to unique hydrodynamic interactions due to momentum screening and lubricated friction by the confining walls. Using numerical simulations, we demonstrate that 2D dilute suspensions of fore-aft…

Soft Condensed Matter · Physics 2015-06-16 Adrien Lefauve , David Saintillan

Chaotic hyperbolic dynamical systems enjoy a surprising degree of rigidity, a fact which is well known in the mathematics community but perhaps less so in theoretical physics circles. Low-dimensional hyperbolic systems are either conjugate…

Dynamical Systems · Mathematics 2024-02-23 O. F. Bandtlow , W. Just , J. Slipantschuk

We study a highly supercooled two-dimensional fluid mixture via molecular dynamics simulation. We follow bond breakage events among particle pairs, which occur on the scale of the $\alpha$ relaxation time $\tau_{\alpha}$. Large scale…

Soft Condensed Matter · Physics 2015-06-25 Ryoichi Yamamoto , Akira Onuki

We derive a mode-coupling theory for the slow dynamics of fluids confined in disordered porous media represented by spherical particles randomly placed in space. Its equations display the usual nonlinear structure met in this theoretical…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack

The melting transition of two-dimensional (2D) systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. 2D systems…

Soft Condensed Matter · Physics 2017-04-12 Joshua A. Anderson , James Antonaglia , Jaime A. Millan , Michael Engel , Sharon C. Glotzer

The late-stage phase ordering, in $d=2$ dimensions, of symmetric fluid mixtures violates dynamical scaling. We show however that, even at 50/50 volume fractions, if an asymmetric droplet morphology is initially present then this sustains…

Soft Condensed Matter · Physics 2009-11-07 Alexander J. Wagner , M. E. Cates

We report an extensive and systematic investigation of the multi-point and multi-time correlation functions to reveal the spatio-temporal structures of dynamic heterogeneities in glass-forming liquids. Molecular dynamics simulations are…

Soft Condensed Matter · Physics 2013-01-04 Kang Kim , Shinji Saito

We systematically explored the phase behavior of the hard-core two-scale ramp model suggested by Jagla[E. A. Jagla, Phys. Rev. E 63, 061501 (2001)] using a combination of the nested sampling and free energy methods. The sampling revealed…

Materials Science · Physics 2021-07-07 Albert P. Bartók , György Hantal , Livia B. Pártay

Molecular dynamics simulations of two-dimensional soft Yukawa fluids are performed to analyze the effect that the range of interaction has on coexisting densities and line tension. The attractive one-component fluid and equimolar mixtures…

Soft Condensed Matter · Physics 2012-07-16 G. A. Méndez-Maldonado , M. González-Melchor , J. Alejandre

We perform molecular dynamics simulations of a well-known water model (the TIP5P pair potential) and a simple liquid model (a two-scale repulsive ramp potential) to compare the regions of anomalous behavior in their phase diagrams. We…

Soft Condensed Matter · Physics 2007-12-14 Zhenyu Yan , Sergey V. Buldyrev , Pradeep Kumar , Nicolas Giovambattista , H. Eugene Stanley

We analyze the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines oreintati onal ice-like interactions and \"{}Van der Waals\"{} interactions which may be…

Soft Condensed Matter · Physics 2009-11-11 Vera B. Henriques , Nara Guisoni , Marco Aurelio Barbosa , Marcelo Thielo , Marcia C. Barbosa

Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and water-like liquid-state anomalies are performed to obtain an understanding of the relationship between…

Soft Condensed Matter · Physics 2015-05-18 Alan Barros de Oliveira , Evy A. Salcedo Torres , Charusita Chakravarty , Marcia C. Barbosa
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