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We present Monte Carlo simulations of liquid-crystalline material confined to a nanoscopic slit-pore. The simulations are carried out under isothermal conditions in a specialized isostress ensemble in which N fluid molecules are exposed to…

Soft Condensed Matter · Physics 2010-04-30 Manuel Greschek , Martin Schoen

In this work, by means of molecular dynamics simulations, we consider mass transport of a water cluster inside a single-walled carbon nanotube (SWNT) with the diameter of about 1.4 nm. The influence of the non-equilibrium thermal…

Other Condensed Matter · Physics 2009-11-13 Junichiro Shiomi , Shigeo Maruyama

We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…

Computational Physics · Physics 2017-03-16 Pauline Simonnin , Benoit Noetinger , Carlos Nieto-Draghi , Virginie Marry , Benjamin Rotenberg

Over the last decade, an increasing body of evidence has emerged, supporting the existence of a metastable liquid-liquid critical point in supercooled water, whereby two distinct liquid phases of different densities coexist. Analysing long…

Soft Condensed Matter · Physics 2024-08-20 Cesare Malosso , Natalia Manko , Maria Grazia Izzo , Stefano Baroni , Ali Hassanali

Large scale molecular dynamics simulations are used to investigate the structural and dynamical modifications of supercooled water when confined inside an hydrophilic nanopore. We then investigate the evolution of the auto-organization of…

Disordered Systems and Neural Networks · Physics 2015-06-25 Victor Teboul

Nanofluidics is an emerging field offering innovative solutions for energy harvesting and desalination. The efficiency of these applications depends strongly on liquid-solid slip, arising from a favorable ratio between viscosity and…

Soft Condensed Matter · Physics 2022-08-16 Cecilia Herrero , Gabriele Tocci , Samy Merabia , Laurent Joly

The rate of water flow through hydrophobic nanocapillaries is greatly enhanced as compared to that expected from macroscopic hydrodynamics. This phenomenon is usually described in terms of a relatively large slip length, which is in turn…

Mesoscale and Nanoscale Physics · Physics 2016-03-22 Mehdi Neek-Amal , F. M. Peeters , I. V. Grigorieva , A. K. Geim

Molecular dynamics simulations of SPC/E water confined in a Silica pore are presented. The simulations have been performed at different hydration levels and temperatures to study the single-particle dynamics. Due to the confinement and to…

Soft Condensed Matter · Physics 2017-08-23 Paola Gallo

We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as…

Soft Condensed Matter · Physics 2021-10-12 O. Pizio , S. Sokolowski , V. M. Trejos

The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a ore-softened potential with two characteristic length scales, which in…

Soft Condensed Matter · Physics 2014-08-21 José Rafael Bordin , Leandro B. Krott , Marcia C. B. Barbosa

Fluctuating hydrodynamics provides a model for fluids at mesoscopic scales where thermal fluctuations can have a significant impact on the behavior of the system. Here we investigate a model for fluctuating hydrodynamics of a single…

Fluid Dynamics · Physics 2015-06-22 Anuj Chaudhri , John B. Bell , Alejandro L. Garcia , Aleksandar Donev

The smaller the system, typically - the higher is the impact of fluctuations. In narrow superconducting wires sufficiently close to the critical temperature Tc thermal fluctuations are responsible for the experimentally observable finite…

Superconductivity · Physics 2012-05-25 K. Yu. Arutyunov , T. T. Hongisto , J. S. Lehtinen , L. I. Leino , A. L. Vasiliev

We consider the nucleation process associated with capillary condensation of a vapor in a hydrophobic cylindrical pore (capillary evaporation). The liquid-vapor transition is described within the framework of a simple lattice model. The…

Materials Science · Physics 2007-05-23 Anthony Saugey , Lyderic Bocquet , J. -L. Barrat

When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures ($\sim$ 150 K), leading to a metastable liquid…

Soft Condensed Matter · Physics 2015-06-23 S. O. Diallo , L. Vlcek , E. Mamontov , J. K. Keum , Jihua Chen , J. S. Hayes , A. A. Chialvo

High precision measurements of the complex sheet conductivity of superconducting Mo77Ge23 thin films have been made from 0.4 K through Tc. A sharp drop in the inverse sheet inductance, 1/L(T), is observed at a temperature, Tc, which lies…

Superconductivity · Physics 2009-10-31 Stefan J. Turneaure , Thomas R. Lemberger , John M. Graybeal

We present the results of molecular dynamics simulations of SPC/E water confined in a realistic model of a silica pore. The single-particle dynamics have been studied at ambient temperature for different hydration levels. The confinement…

Statistical Mechanics · Physics 2009-10-31 P. Gallo , M. Rovere , M. A. Ricci , C. Hartnig , E. Spohr

Molecular dynamics simulations have revealed a dramatic increase, with increasing temperature, of the amplitude of electrostatic fluctuations caused by water at the active site of metalloprotein plastocyanin. The increased breadth of…

Biological Physics · Physics 2009-11-13 David N. LeBard , Dmitry V. Matyushov

I study the effect of quantum and thermal phase fluctuations on the in-plane and c-axis superfluid stiffness of layered d-wave superconductors. First, I show that quantum phase fluctuations in the superconductor can be damped in the…

Superconductivity · Physics 2009-10-31 Arun Paramekanti

The effect of annealing at room temperature on the fluctuation conductivity (FLC) $\sigma^\prime(T)$ and pseudogap (PG) $\Delta^*(T)$ in the basal ab plane of $ReBa_2Cu_3O_{7-\delta}$ (Re = Ho) single crystals with a lack of oxygen has been…

We present transport, Hall effect, electronic tunnelling and penetration depth studies in 3D homogeneously disordered epitaxial NbN thin films with disorder ranging from the moderately clean limit (k_Fl~10.12) to the very dirty limit…