Publication Date:
2011
abstract:
We numerically investigate a system of particles interacting through a repulsive pair potential of inverse-power
form, modified in such a way that the strength of the repulsion is softened in a range of distances. The solid
phases of the system for various levels of softness are identified by computing the zero-temperature phase
diagram; then, for each solid phase, the melting line is determined by Monte Carlo simulation. Upon increasing
the softness of the potential core, a region appears where melting occurs upon compression at constant
temperature ('anomalous' melting) and a number of low-coordinated crystals become stable at moderate
pressures. Next, the structural properties of the system for varying core softness are surveyed in the hypernettedchain
approximation, whose accuracy has been positively tested against numerical simulation. For sufficiently
high degrees of softness, the radial distribution function shows the typical interplay between two distinct lengthscales.
In a narrow range of moderate softness, reentrant melting occurs instead with just one length-scale, which
shows that the existence of two well-definite length-scales is not the only mechanism for anomalous melting.
Iris type:
01.01 Articolo in rivista
Keywords:
anomalous melting; solid polymorphism; hypernetted-chain approximation
List of contributors:
Saija, Franz
Published in: