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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

Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture.…

Statistical Mechanics · Physics 2009-11-10 Subir K. Das , Jürgen Horbach , Kurt Binder

We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…

Disordered Systems and Neural Networks · Physics 2009-11-11 S. K. Das , S. Puri Jawaharlal , J. Horbach , Kurt Binder

Athermal plastic flows were simulated for the Kob-Andersen binary Lennard-Jones system and its repulsive version in which the sign of the attractive terms is changed to a plus. Properties evaluated from simulations at different densities…

Soft Condensed Matter · Physics 2014-11-25 Edan Lerner , Nicholas P. Bailey , Jeppe C. Dyre

We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well…

Condensed Matter · Physics 2009-10-22 Walter Kob , Hans C. Andersen

The demixing transition of a binary fluid mixture of additive hard spheres is analyzed for different size asymmetries by starting from the exact low-density expansion of the pressure. Already within the second virial approximation the fluid…

Statistical Mechanics · Physics 2009-11-10 M. Lopez de Haro , C. F. Tejero

By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…

Statistical Mechanics · Physics 2016-08-15 Enrique Diaz-Herrera , José Alejandre , Guillermo Ramírez-Santiago , F. Forstmann

A linear stability analysis of the Navier-Stokes (NS) granular hydrodynamic equations is performed to determine the critical length scale for the onset of vortices and clusters instabilities in granular dense binary mixtures. In contrast to…

Statistical Mechanics · Physics 2014-02-19 Peter P. Mitrano , Vicente Garzó , Christine M. Hrenya

Extensive molecular dynamics (MD) computer simulations of an equimolar glass-forming AB mixture with large size ratio are presented. While the large A particles show a glass transition around the critical density of mode coupling theory…

Soft Condensed Matter · Physics 2023-03-10 Vinay Vaibhav , Jürgen Horbach , Pinaki Chaudhuri

The shear viscosity of a Lennard-Jones fluid is obtained by stochastic dissipative molecular dynamics (SDMD) simulations. A generic constraint to the equations of motion is given that reduces the sensitivity of the shear viscosity to the…

Statistical Mechanics · Physics 2018-10-31 Phil Attard

Symmetric binary fluids, quenched into a regime of immiscibility, undergo phase separation by spinodal decomposition. In the late stages, the fluids are separated by sharply defined, but curved, interfaces: the resulting Laplace pressure…

Condensed Matter · Physics 2007-05-23 M. E. Cates , V. M. Kendon , P. Bladon , J-C. Desplat

Recent Monte Carlo simulation studies of a Lennard-Jones fluid confined to a mesoscopic slit-pore have reported evidence for ``critical depletion'' in the pore local number density near the liquid-vapour critical point. In this note we…

Statistical Mechanics · Physics 2009-10-31 Nigel B. Wilding , Martin Schoen

We consider dense rapid shear flow of inelastically colliding hard disks. Navier-Stokes granular hydrodynamics is applied accounting for the recent finding \cite{Luding,Khain} that shear viscosity diverges at a lower density than the rest…

Soft Condensed Matter · Physics 2009-11-13 Evgeniy Khain

We consider a binary fluid mixture, which lies in the one-phase region near the demixing critical point, and study its transport through a capillary tube linking two large reservoirs. We assume that short-range interactions cause…

Soft Condensed Matter · Physics 2023-09-21 Youhei Fujitani , Shunsuke Yabunaka

We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition…

Soft Condensed Matter · Physics 2017-01-13 Johannes Zierenberg , Wolfhard Janke

We study the influence of the system size on various static and dynamic properties of a supercooled binary Lennard-Jones liquid via computer simulations. In this way, we demonstrate that the treatment of systems as small as N=65 particles…

Soft Condensed Matter · Physics 2009-11-07 Burkhard Doliwa , Andreas Heuer

Using the molecular dynamics simulations we investigate properties of velocity autocorrelation function of Lennard-Jones fluid at long and intermediate time scales in wide ranges of temperature and density. We show that the amplitudes of…

Soft Condensed Matter · Physics 2014-09-30 R. E. Ryltsev , N. M. Chtchelkatchev

Phase separation in binary and ternary fluids is studied using a two dimensional Lattice Gas Automata. The lengths, given by the the first zero crossing point of the correlation function and the total interface length is shown to exhibit…

Soft Condensed Matter · Physics 2009-11-07 K. C. Lakshmi , P. B. Sunil Kumar

Non-equilibrium molecular dynamics simulations were performed to study the thermodynamic, structural, and dynamical properties of the single-component Lennard-Jones and the Kob-Andersen binary Lennard-Jones liquids. Both systems are known…

Soft Condensed Matter · Physics 2013-05-14 Leila Separdar , Nicholas P. Bailey , Thomas B. Schrøder , Saeid Davatolhagh , Jeppe C. Dyre

We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle…

Condensed Matter · Physics 2015-06-25 N. B. Wilding , K. Binder