Aging of Tetrahedral Structure in a Lennard-Jones Glass1
نویسندگان
چکیده
We study the aging of a glassy Lennard-Jones binary mixture with molecular dynamics simulations. We follow the evolution of the packing as a function of the system’s age tw, the time passed since the system is quenched to below its glass transition temperature. We focus on simple properties of all tetrahedra formed by the majority of particles. We find that both the averages and the distributions of the edge length of tetrahedra and of their standard deviation monotonically evolve over time: they age. Specifically the aging process decreases the irregularity of tetrahedra while loosening them up. This is in stark contrast with previous experiments on slightly charged hard-sphere colloidal suspension where tetrahedral geometry was found to be a poor indicator of age. Furthermore, we confirm that tetrahedral packings sample microscopic structure in a non-trivial way.
منابع مشابه
THE DENSITY PROFILES OF A LENNARD -JONES FLUID CONFINED TO A SLIT
The structure of fluids confined by planar walls is studied using density functional theory. The density functional used is a generalized form of the hypernetted chain (HNC) functional which contains a term third order in the density. This term is chosen to ensure that the modified density functional gives the correct bulk pressure. The proposed density functional applied to a Lennard-Jones...
متن کاملThe Modified Lennard-Jones and Devonshire Equation of State
Lennard-Jones-Devonshire equation of state is an old but theoretical based EOS. The concept of the nearest neighboring molecules or coordination number is proposed to be a function of temperature and volume, whereas it is a constant in the original. The dilute gas and hard sphere limits of molecules are employed to determine this function. Improvement of this modification is demonstrated by pro...
متن کاملDiffusive Dynamicsof Binary Lennard-Jones Liquid in the Presence of Gold Nanoparticle: A Mode Coupling Theory Analysis
Molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of Kob-Anderson binary Lennard-Jones (BLJ) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. The presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...
متن کاملLennard-Jones Energy Parameter for Pure Fluids from Scaled Particle Theory
By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT) based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...
متن کاملTetrahedral global minimum for the 98-atom Lennard-Jones cluster.
An unusual atomic cluster structure corresponding to the global minimum of the 98-atom Lennard-Jones cluster has been found using a variant of the basin-hopping global optimization algorithm. The structure has tetrahedral symmetry and an energy of -543.665 361 epsilon, which is 0.022 404 epsilon lower than the previous lowest-energy minimum. The LJ(98) structure is of particular interest becaus...
متن کامل