Ordering in Two-Dimensional Lennard-Jones Clusters

الملخص EN

Cluster formation in a two-dimensional Lennard-Jones system under different conditions of temperature (T) and particle concentration (c) has been studied using the Monte-Carlo method with the introduction of real thermal motion of the constituent particles through a modification of the conventional Metropolis algorithm.

The c-T phase diagram determined from the study of the root mean square displacement of the particles shows features characteristics of the P-T diagram for phase equilibrium in real systems.

The solid-like to liquid-like transition takes place when the average nearest neighbour distance increases by ~1% of the equilibrium value in the low-temperature solid-like configuration.

The Lindemann parameter (δ) is found to decrease with the increase of c to reach a steady value of δ=0.0106±0.0004 for c≥0.6 .