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Superpositioning of relaxation data as a function of the product variable TV^{\gamma}, where T is temperature, V the specific volume, and {\gamma} a material constant, is an experimental fact demonstrated for approximately 100 liquids and…

Soft Condensed Matter · Physics 2015-05-20 Daniel Fragiadakis , C. Michael Roland

We use molecular dynamics computer simulations to investigate the relaxation dynamics of a binary Lennard-Jones liquid confined in a narrow pore. We find that the average dynamics is strongly influenced by the confinement in that time…

Statistical Mechanics · Physics 2009-10-31 Peter Scheidler , Walter Kob , Kurt Binder

We investigate the kinetics of bubble coarsening in a single component Lennard-Jones fluid using large-scale molecular dynamics simulations. A homogeneous high-temperature system is quenched below the critical temperature to induce the…

Soft Condensed Matter · Physics 2025-09-29 Parameshwaran A , Bhaskar Sen Gupta

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

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

The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…

Statistical Mechanics · Physics 2009-11-11 Stefano Lepri , Paolo Sandri , Antonio Politi

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

Solvation of small and large clusters are studied by simulation, considering a range of solvent-solute attractive energy strengths. Over a wide range of conditions, both for solvation in the Lennard-Jones liquid and in the SPC model of…

Statistical Mechanics · Physics 2007-07-29 Lutz Maibaum , David Chandler

We study the relaxation dynamics of a binary Lennard-Jones liquid in the presence of an amorphous wall generated from equilibrium particle configurations. In qualitative agreement with the results presented in Nature Phys. {\bf 8}, 164…

Statistical Mechanics · Physics 2014-06-16 Glen M Hocky , Ludovic Berthier , Walter Kob , David R. Reichman

The classic Kob-Andersen (KA) binary Lennard-Jones mixtures which are designed to prevent crystallization has been extensively studied in simulation of slow dynamics. Although crystallization can occur if a liquid system is cooled slowly,…

Soft Condensed Matter · Physics 2017-03-10 Penghui Cao

Viscosities and their temperature, T, and volume, V, dependences are reported for 7 molecular liquids and polymers. In combination with literature viscosity data for 5 other liquids, we show that the superpositioning of relaxation times for…

Soft Condensed Matter · Physics 2009-11-11 CM Roland , S Bair , R Casalini

We present an analysis and discuss consequences of the strong correlations of the configurational parts of pressure and energy in their equilibrium fluctuations at fixed volume reported for simulations of several liquids in the companion…

Soft Condensed Matter · Physics 2009-11-13 Nicholas P. Bailey , Ulf R. Pedersen , Nicoletta Gnan , Thomas B. Schrøder , Jeppe C. Dyre

We study the dynamics of particles in a multi-component 2d Lennard-Jones (LJ) fluid in the limiting case where {\it all the particles are different} (APD). The equilibrium properties of this APD system were studied in our earlier work…

Soft Condensed Matter · Physics 2016-06-22 Lenin S. Shagolsem , Yitzhak Rabin

We investigate the variation of the driving force for crystallization of a supercooled liquid along isomorphs, curves along which structure and dynamics are invariant. The variation is weak, and can be predicted accurately for the…

Statistical Mechanics · Physics 2017-06-23 Ulf R. Pedersen , Karolina Adrjanowicz , Kristine Niss , Nicholas P. Bailey

Recently the supercooled Wahnstrom binary Lennard-Jones mixture was partially crystallized into ${\rm MgZn_2}$ phase crystals in lengthy Molecular Dynamics simulations. We present Molecular Dynamics simulations of a modified Kob-Andersen…

Soft Condensed Matter · Physics 2012-10-01 Søren Toxvaerd , Ulf R. Pedersen , Thomas B. Schrøder , Jeppe C. Dyre

We have performed non-equilibrium dynamics simulations of a binary Lennard-Jones mixture in which an external force is applied on a single tagged particle. For the diffusive properties of this particle parallel to the force superdiffusive…

Statistical Mechanics · Physics 2015-06-11 Carsten F. E. Schroer , Andreas Heuer

We use a recently proposed method [Berthier L.; Biroli G.; Bouchaud J.P.; Cipelletti L.; El Masri D.; L'Hote D.; Ladieu F.; Pierno M. Science 2005, 310, 1797.] to obtain an approximation to the 4-point dynamic correlation function from…

Soft Condensed Matter · Physics 2009-08-27 D. Fragiadakis , R. Casalini , C. M. Roland

Dynamical properties of a Lennard-Jones binary mixture embedded in an off lattice matrix of soft spheres are studied in the direct space upon supercooling by molecular dynamics simulations. On lowering temperature the smaller particles tend…

Soft Condensed Matter · Physics 2009-11-10 P. Gallo , R. Pellarin , M. Rovere

Diverse material classes exhibit practically identical behavior when made viscous upon cooling toward the glass transition, suggesting a common theoretical basis. The first-principles scaling laws that have been proposed to describe the…

We present a mean-field theory of a coarse-grained model of a super-cooled liquid in which relaxation occurs via local plastic rearrangements. Local relaxation can be induced by thermal fluctuations or by the long-range elastic consequences…

Soft Condensed Matter · Physics 2023-12-07 Joseph W. Baron , Giulio Biroli