Skip to Main Content (Press Enter)

Logo CNR
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze

UNI-FIND
Logo CNR

|

UNI-FIND

cnr.it
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze
  1. Pubblicazioni

Phase diagram of the Gaussian-core model

Articolo
Data di Pubblicazione:
2005
Abstract:
We trace with high numerical accuracy the phase diagram of the Gaussian-core model, a classical system of point particles interacting via a Gaussian-shaped, purely repulsive potential. This model, which provides a reliable qualitative description of the thermal behavior of interpenetrable globular polymers, is known to exhibit a polymorphic fcc-bcc transition at low densities and reentrant melting at high densities. Extensive Monte Carlo simulations, carried out in conjunction with accurate calculations of the solid free energies, lead to a thermodynamic scenario that is partially modified with respect to previous knowledge. In particular, we find that: sid the fluid-bcc-fcc triple-point temperature is about one third of the maximum freezing temperature; siid upon isothermal compression, the model exhibits a fluid-bcc-fcc-bcc-fluid sequence of phases in a narrow range of temperatures just above the triple point. We discuss these results in relation to the behavior of star-polymer solutions and of other softly repulsive systems.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Gaussian-core model; Solid-liquid phase transitions; Solid-solid phase transitions; Frenkel-Ladd method; Self-avoiding polymers
Elenco autori:
Saija, Franz
Autori di Ateneo:
SAIJA FRANZ
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/42779
Pubblicato in:
PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS
Journal
  • Utilizzo dei cookie

Realizzato con VIVO | Designed by Cineca | 26.5.0.0 | Sorgente dati: PREPROD (Ribaltamento disabilitato)