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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

We use molecular simulations to demonstrate the connection between transverse water-water correlations and wetting phenomena for a range of hydrophobic to hydrophilic solid surfaces.Near superhydrophobic surfaces, the correlations are long…

Soft Condensed Matter · Physics 2014-09-10 Rahul Godawat , Sumanth N. Jamadagni , Vasudevan Venkateshwaran , Shekhar Garde

We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analysing a million…

Water density fluctuations are an important statistical mechanical observable that is related to many-body correlations, as well as hydrophobic hydration and interactions. Local water density fluctuations at a solid-water surface have also…

Soft Condensed Matter · Physics 2015-05-28 Amish J. Patel , Patrick Varilly , David Chandler , Shekhar Garde

Using classical density functional theory (DFT) we calculate the density profile $\rho({\mathbf r})$ and local compressibility $\chi({\mathbf r})$ of a simple liquid solvent in which a pair of blocks with (microscopic) rectangular…

Soft Condensed Matter · Physics 2017-04-05 Blesson Chacko , Robert Evans , Andrew J. Archer

The purpose of this paper is twofold. Firstly, we study the dynamical density fluctuations around the critical point(CP) of Quantum Chromodynamics(QCD) using dissipative relativistic fluid dynamics in which the coupling of the density…

High Energy Physics - Theory · Physics 2010-03-12 Y. Minami , T. Kunihiro

We consider a fluctuating superconductor in the vicinity of the transition temperature, $T_c$. The fluctuation shear viscosity is calculated. In two dimensions, the leading correction to viscosity is negative and scales as $\delta \eta(T)…

Strongly Correlated Electrons · Physics 2019-08-07 Yunxiang Liao , Victor Galitski

The finite-size effects prominent in zero-range processes exhibiting a condensation transition are studied by using continuous-time Monte Carlo simulations. We observe that, well above the thermodynamic critical point, both static and…

Statistical Mechanics · Physics 2010-09-21 Janne Juntunen , Otto Pulkkinen , Juha Merikoski

The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled…

Soft Condensed Matter · Physics 2009-11-11 David Cheung , Friederike Schmid

For a freely evolving granular fluid, the buildup of spatial correlations in density and flow field is described using fluctuating hydrodynamics. The theory for incompressible flows is extended to the general, compressible case, including…

Statistical Mechanics · Physics 2009-10-30 T. P. C. van Noije , M. H. Ernst , R. Brito

We study hydrodynamic fluctuations in a non-relativistic fluid. We show that in three dimensions fluctuations lead to a minimum in the shear viscosity to entropy density ratio $\eta/s$ as a function of the temperature. The minimum provides…

Quantum Gases · Physics 2013-03-14 Clifford Chafin , Thomas Schaefer

Liquid water, at ambient conditions, has short-range density correlations which are well known in literature. Surprisingly, large scale molecular dynamics simulations reveal an unusually long-distance correlation in `longitudinal' part of…

Soft Condensed Matter · Physics 2013-05-29 J. M. Pradeep Kanth , Satyavani Vemparala , Ramesh Anishetty

The microscopic description of the local structure of water remains an open challenge. Here, we adopt an agnostic approach to understanding water's hydrogen bond network using data harvested from molecular dynamics simulations of an…

Soft Condensed Matter · Physics 2022-04-05 Adu Offei-Danso , Ali Hassanali , Alex Rodriguez

The previously proposed approach for the microscopic description of the critical behavior of Morse liquids based on the cell fluid model is applied to the case where the parameters of the Morse interaction potential correspond to alkali…

Statistical Mechanics · Physics 2023-09-20 I. V. Pylyuk , M. P. Kozlovskii , O. A. Dobush , M. V. Dufanets

We perform large-scale Quantum Monte Carlo (QMC) simulations for strongly interacting bosons in a 2D optical lattice trap, and confirm an excellent agreement with the benchmarking in-situ density measurements by the Chicago group [1]. We…

Quantum Gases · Physics 2011-03-16 Shiang Fang , Chia-Ming Chung , Ping Nang Ma , Pochung Chen , Daw-Wei Wang

We consider fluids where the attractive interaction at distances slightly larger than the particle size is dominated at larger distances by a repulsive contribution. A previous investigation of the effects of the competition between…

Soft Condensed Matter · Physics 2009-11-11 D. Pini , A. Parola , L. Reatto

Using fluctuating hydrodynamics we describe the slow build-up of long range spatial correlations in a freely evolving fluid of inelastic hard spheres. In the incompressible limit, the behavior of spatial velocity correlations (including…

Statistical Mechanics · Physics 2009-10-30 T. P. C. van Noije , M. H. Ernst , R. Brito , J. A. G. Orza

Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular…

Biological Physics · Physics 2019-07-02 Oliver Beckstein , Mark S. P. Sansom

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

A solid substrate, when exposed to a vapour, can interact with it in such a way that sufficiently close to liquid-vapour coexistence a macroscopically thick liquid wetting layer is formed on the substrate surface. If such a wetting…

Statistical Mechanics · Physics 2009-10-30 N. B. Wilding , M. Krech