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Test area deformations are used to analyse vapour-liquid interfaces of Lennard-Jones particles by molecular dynamics simulation. For planar vapour-liquid interfaces the change in free energy is captured by the average of the corresponding…

Soft Condensed Matter · Physics 2012-11-12 Jose G. Sampayo , Alexandr Malijevsky , Erich A. Muller , E. de Miguel , G. Jackson

This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental…

Soft Condensed Matter · Physics 2015-03-14 Ulf R. Pedersen , Nicoletta Gnan , Nicholas P. Bailey , Thomas B. Schröder , Jeppe C. Dyre

The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2.…

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

As recently proposed, the long-time behavior of equilibrium time-correlation functions for one-dimensional systems are expected to be captured by a nonlinear extension of fluctuating hydrodynamics. We outline the predictions from the theory…

Statistical Mechanics · Physics 2014-08-05 Christian B. Mendl , Herbert Spohn

Here we report experimental results on the fluctuations of injected power in confined turbulence. Specifically, we have studied a von K\'arm\'an swirling flow with constant external torque applied to the stirrers. Two experiments were…

Fluid Dynamics · Physics 2016-02-08 A. Opazo , A. Sáez , G. Bustamante , R. Labbé

The flow of frictionless granular particles is studied with stress-controlled discrete element modeling simulations for systems varying in size from 300 to 100,000 particles. The volume fraction and shear stress ratio $\mu$ are relatively…

Soft Condensed Matter · Physics 2022-01-12 A. P. Santos , Ishan Srivastava , Leonardo E. Silbert , Jeremy B. Lechman , Gary S. Grest

We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on…

Statistical Mechanics · Physics 2017-09-13 Robert Evans , Maria C. Stewart , Nigel B. Wilding

This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…

Soft Condensed Matter · Physics 2009-11-07 A. A. Louis

We performed molecular dynamics simulations to study relaxation phenomena during vapor-liquid transitions in a single component Lennard-Jones system. Results from two different overall densities are presented; one in the neighborhood of the…

Statistical Mechanics · Physics 2019-06-04 Sutapa Roy , Arabinda Bera , Suman Majumder , Subir K. Das

By means of molecular dynamics computer simulations we investigate the out of equilibrium relaxation dynamics of a simple glass former, a binary Lennard-Jones system, after a quench to low temperatures. We study both one time quantities and…

Disordered Systems and Neural Networks · Physics 2009-10-31 Walter Kob , Jean-Louis Barrat

Theoretical studies of nearly spherical vesicles and microemulsion droplets, that present typical examples for thermally-excited systems that are subject to constraints, are reviewed. We consider the shape fluctuations of such systems…

Soft Condensed Matter · Physics 2021-04-28 Nicholay S. Tonchev

We investigate the diffusive properties of energy fluctuations in a one-dimensional diatomic chain of hard-point particles interacting through a square--well potential. The evolution of initially localized infinitesimal and finite…

Statistical Mechanics · Physics 2009-11-13 L. Delfini , S. Denisov , S. Lepri , R. Livi , P. K. Mohanty , A. Politi

Expressions are obtained for force and couple densities and stress tensors in macroscopic models for nematic liquid crystals subjected to electric fields. The coupling between the liquid crystal orientational properties and the electric…

Soft Condensed Matter · Physics 2020-09-29 Eugene C. Gartland

In the energy-momentum density expressions for a relativistic perfect fluid with a bulk motion, one comes across a couple of pressure-dependent terms, which though well known, are to an extent, lacking in their conceptual basis and the…

General Physics · Physics 2021-05-13 Ashok K. Singal

Local stresses and pressures always exist in glasses. In this letter we consider their effects on the structure and structural correlations in simple glasses. We find that extreme values of local pressures are related to well defined local…

Condensed Matter · Physics 2016-08-31 Tamar Kustanovich , Zeev Olami

In pursuit of understanding of the paradoxical success of the Adam-Gibbs equation in both experiment and computer simulation studies, we examine the relation between liquid behavior at constant pressure and constant volume and compare the…

Disordered Systems and Neural Networks · Physics 2009-11-07 C. A. Angell , S. Borick

The approximate power-law dependence of the apparent viscosity of liquids on shear rate is often argued to arise from a distribution of energy barriers. However, recent work on the Prandtl model, which consists of a point mass being dragged…

Soft Condensed Matter · Physics 2023-09-20 Hongyu Gao , Martin H. Müser

Via molecular dynamics simulations of a generic glass former in the supercooled and normal liquid states, it is shown that spatial correlations of strain fluctuations exhibit a crossover from the well-established power-law $\sim…

Soft Condensed Matter · Physics 2020-01-29 Muhammad Hassani , Marian Bruns , Fathollah Varnik

A diagrammatic kinetic theory of density fluctuations in simple dense liquids at long times, described in the preceding paper, is applied to a high density Lennard-Jones liquid to calculate various equilibrium time correlation functions.…

Statistical Mechanics · Physics 2015-06-18 Kevin R. Pilkiewicz , Hans C. Andersen