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We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield…

Chemical Physics · Physics 2015-05-13 Jürgen Köfinger , Gerhard Hummer , Christoph Dellago

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

In this paper, a lattice Boltzmann model is proposed to simulate solid-liquid phase change phenomena in multiphase systems. The model couples the thermal properties of the solidification front with the dynamics of the liquid droplet…

Fluid Dynamics · Physics 2024-04-04 Jiangxu Huang , Lei Wang , Zhenhua Chai , Baochang Shi

Lipid membranes have complex compositions and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work we attempt to describe the thermodynamics of binary lipid mixtures by mapping…

Soft Condensed Matter · Physics 2024-09-04 L. Berezovska , R. Kociurzynski , F. Thalmann

The Multiparticle Collision Dynamics technique (MPC) for hydrodynamics simulations is generalized to binary fluid mixtures and multiphase flows, by coupling the particle-based fluid dynamics to a Ginzburg-Landau free-energy functional for…

Soft Condensed Matter · Physics 2024-06-03 Thomas Eisenstecken , Raphael Hornung , Roland G. Winkler , Gerhard Gompper

We develop a lattice Boltzmann equation method for simulating multi-phase immiscible fluid flows with variation of density and viscosity, based on the model proposed by Gunstensen {\em et al} for two-component immiscible fluids. The…

comp-gas · Physics 2009-10-22 Daryl Grunau , Shiyi Chen , Kenneth Egger

We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confined inside rigid and flexible nanopores. The fluid is modeled by a two length scale potential. In the bulk this system exhibits the density…

Soft Condensed Matter · Physics 2014-02-05 Jose Rafael Bordin , Leandro B. Krott , Marcia C. Barbosa

A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…

Statistical Mechanics · Physics 2015-05-27 Vishwas V Vasisht , Shibu Saw , Srikanth Sastry

We study simple lattice systems to demonstrate the influence of interpenetrating bond networks on phase behavior. We promote interpenetration by using a Hamiltonian with a weakly repulsive interaction with nearest neighbors and an…

Soft Condensed Matter · Physics 2014-11-03 Chia Wei Hsu , Francis W. Starr

A previously proposed [X. Shan and H. Chen, Phys. Rev. E {\bf 47}, 1815, (1993)] lattice Boltzmann model for simulating fluids with multiple components and interparticle forces is described in detail. Macroscopic equations governing the…

comp-gas · Physics 2009-10-28 Xiaowen Shan , Gary Doolen

Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…

The thermodynamic behavior of a fluid near a vapor-liquid and, hence, asymmetric critical point is discussed within a general ``complete'' scaling theory incorporating pressure mixing in the nonlinear scaling fields as well as corrections…

Statistical Mechanics · Physics 2009-11-07 Young C. Kim , Michael E. Fisher , G. Orkoulas

Water and silicon are chemically dissimilar substances with common physical properties. Their liquids display a temperature of maximum density, increased diffusivity on compression, they form tetrahedral crystals and tetrahedral amorphous…

Soft Condensed Matter · Physics 2008-09-18 Valeria Molinero , Emily B. Moore

A plethora of active matter models exist that describe the behavior of self-propelled particles (or swimmers), both with and without hydrodynamics. However, there are few studies that consider shape-anisotropic swimmers and include…

We provide an exact mapping between the density functional of a binary mixture and that of the effective one-component fluid in the limit of infinite asymmetry. The fluid of parallel hard cubes is thus mapped onto that of parallel adhesive…

Soft Condensed Matter · Physics 2009-10-31 Yuri Martinez-Raton , Jose A. Cuesta

In this work we explore the one-dimensional extended Hubbard model as a fluid system modelling liquid phases of different densities. This model naturally displays two length scales of interaction, which are connected with waterlike…

Statistical Mechanics · Physics 2023-10-10 Marco A. Habitzreuter , Eduardo O. Rizzatti , Marcia C. Barbosa

We propose a minimal model for miscibility phase transitions (MPTs) in a class of asymmetric two-component heterogeneous fluid membranes at equilibrium that generically display both first and second order MPTs, controlled by the interplay…

Soft Condensed Matter · Physics 2015-09-15 Niladri Sarkar , Abhik Basu

Recently synthesized colloids and biological systems such as proteins, viruses and monoclonal antibodies are heterogeneously charged, i.e., different regions of their surfaces carry different amount of positive or negative charge. Because…

Computational Physics · Physics 2024-06-24 Daniele Notarmuzi , Emanuela Bianchi

Recent experimental and theoretical results have shown the existence of a liquid-liquid phase transition in isotropic systems, such as biological solutions and colloids, whose interaction can be represented via an effective potential with a…

Soft Condensed Matter · Physics 2009-11-10 Gianpietro Malescio , Giancarlo Franzese , Anna Skibinsky , Sergey V. Buldyrev , H. Eugene Stanley

In recent years, a second fluid-fluid phase transition has been reported in several materials at pressures far above the usual liquid-gas phase transition. In this paper, we introduce a new model of this behavior based on the Lennard-Jones…

Statistical Mechanics · Physics 2009-11-07 H. K. Lee , R. H. Swendsen
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