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The self-diffusion constant D is expressed in terms of transitions among the local minima of the potential (inherent structure, IS) and their correlations. The formulae are evaluated and tested against simulation in the supercooled,…

Statistical Mechanics · Physics 2009-10-31 T. Keyes , J. Chowdhary

Thermal motions in the 2D Lennard-Jones liquid near solidification are studied at equilibrium and under shear flow conditions. At the temperatures of the study, the liquid is significantly aggregated. On times of few to few tens of…

Mesoscale and Nanoscale Physics · Physics 2017-03-03 Alexander Z. Patashinski , Rafal Orlik , Mark A. Ratner

The self-diffusion process in a dense liquid is influenced by collective particle movements. Extensive molecular dynamics simulations for liquid aluminium and rubidium evidence a crossover in the diffusion coefficient at about $1.4$ times…

Disordered Systems and Neural Networks · Physics 2024-12-03 Franz Demmel , Noel Jakse

We have studied the statistics of plastic rearrangement events in a simulated amorphous solid at T=0. Events are characterized by the energy release and the ``slip volume'', the product of plastic strain and system volume. Their…

Materials Science · Physics 2016-08-17 N. P. Bailey , J Schiøz , A. Lemaître , K. W. Jacobsen

The behavior of energy polydisperse $2d$ Lennard-Jones fluid (in thin-film geometry) is studied subjected to linear flow field using molecular dynamics simulations. By considering neutral and selective substrates we systematically explore…

Soft Condensed Matter · Physics 2020-07-01 Lenin S. Shagolsem

The information of the event-by-event fluctuations is extracted from flow harmonic distributions and cumulants, which can be done experimentally. In this work, we employ the standard method of Gram-Charlier series with the normal kernel to…

Nuclear Theory · Physics 2021-01-04 Hadi Mehrabpour

Under steady shear, a foam relaxes stress through intermittent rearrangements of bubbles accompanied by sudden drops in the stored elastic energy. We use a simple model of foam that incorporates both elasticity and dissipation to study the…

The dynamics of thin volatile droplets comprising of binary mixtures deposited on a heated substrate are investigated. Using lubrication theory, we develop a novel one-sided model to predict the spreading and retraction of an evaporating…

Fluid Dynamics · Physics 2020-09-23 A. G. L. Williams. G. Karapetsas , D. Mamalis , K. Sefiane , O. K. Matar , P. Valluri

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

A thorough analysis of the transverse current autocorrelation function obtained by molecular dynamics simulations of a dense Lennard-Jones fluid reveals that even such a simple system is characterized by a varied dynamical behavior with…

Self-diffusion and radial distribution functions are studied in a strongly confined Lennard-Jones fluid. Surprisingly, in the solid-liquid phase transition region, where the system exhibits dynamic coexistence, the self-diffusion constants…

Statistical Mechanics · Physics 2016-02-11 N. de Sousa , J. J. Sáenz , Frank Scheffold , A. García Martín , L. S. Froufe-Pérez

In this communication we analyze the behavior of excited drops contained in spherical volumes. We study different properties of the dynamical systems i.e. the maximum Lyapunov exponent MLE, the asymptotic distance in momentum space…

Nuclear Theory · Physics 2007-05-23 M. Ison , P. Balenzuela , A. Bonasera , C. O. Dorso

We present a numerical simulation study of a simple monatomic Lennard-Jones liquid under shear flow, as a function of both temperature and shear rate. By investigating different observables we find that i) It exists a line in the…

Soft Condensed Matter · Physics 2009-11-07 L. Angelani , G. Ruocco , F. Sciortino , P. Tartaglia , F. Zamponi

The local deformation of two-dimensional Lennard-Jones glasses under imposed shear strain is studied via computer simulations. Both the mean squared displacement and mean squared strain rise linearly with the length of the strain interval…

Soft Condensed Matter · Physics 2009-11-13 Craig E. Maloney , Mark O. Robbins

The mechanism of diffusion in supercooled liquids is investigated from the potential energy landscape point of view, with emphasis on the crossover from high- to low-T dynamics. Molecular dynamics simulations with a time dependent mapping…

Statistical Mechanics · Physics 2009-11-07 T. Keyes , J. Chowdhary

We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…

Statistical Mechanics · Physics 2009-01-08 D. Coslovich , C. M. Roland

Many successful theories of liquids near the melting temperature assume that small length scale density fluctuations follow Gaussian statistics. In this paper I present numerical investigations of fluctuations in the supercooled viscous…

Statistical Mechanics · Physics 2019-03-07 Ulf R. Pedersen

The aim of this study is to understand deeper the thermal diffusion transport process (Ludwig-Soret effect) at the microscopic level. For that purpose, the recently developed reverse nonequilibrium molecular dynamics method was used to…

Soft Condensed Matter · Physics 2009-10-31 Dirk Reith , Florian Mueller-Plathe

Physical arguments and comparisons with published experimental data suggest that in simple liquids: i) single-molecule-scale viscous forces are produced by temperature-dependent London dispersion forces, ii) viscosity decay with increasing…

Fluid Dynamics · Physics 2020-10-09 Russell G. Keanini , Jerry Dahlberg , Peter T. Tkacik

We experimentally study the shear flow of oil-in-water emulsion droplets in a thin sample chamber with a hopper shape. In this thin chamber, the droplets are quasi-2D in shape. The sample is at an area fraction above jamming and forced to…

Soft Condensed Matter · Physics 2012-11-09 Dandan Chen , Kenneth W. Desmond , Eric R. Weeks