Entropy estimates of a hard sphere system by data compression of Monte Carlo simulation data

Abstract

How to obtain the entropy? (1) Monte Carlo simulation; (2) store snapshots in a file; (3) apply data compression; and (4) get entropy from the compressibility.

Phase behaviour in 2D assemblies of dumbbell-shaped colloids generated under geometrical confinement

“…9 Computer simulations are an important tool to analyse the crystallisation and the order of complex colloidal systems and colloidal monolayers. A multitude of well established algorithms such as the Monte Carlo algorithms 16,17 and the Brownian dynamics algorithm 18,19 were utilised to study the behaviour of various kinds of particles reaching from simple hard spheres 20 or two-dimensional disks 21 to complex asymmetric shapes. 22 Recently, molecular dynamics simulations of two-dimensional layers of soft colloidal dumbbells indicated a rich variety of different structural arrangements of dumbbell-shaped particles in 2D.…”