| Issue |
Europhys. Lett.
Volume 63, Number 4, August 2003
|
|
|---|---|---|
| Page(s) | 538 - 544 | |
| Section | Condensed matter: structure, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2003-00556-5 | |
| Published online | 01 November 2003 | |
Accurate determination of the phase diagram of model fullerenes
Center for Computational Materials Science and Institut für Theoretische Physik TU Wien - Wiedner Hauptstraße 8-10, A-1040 Wien, Austria
Received:
10
July
2002
Accepted:
12
June
2003
It is by now well established that the self-consistent
Ornstein-Zernike approximation (SCOZA) is able to provide accurate
data for the location of the liquid-vapour coexistence curve and
for the critical point of simple fluids. However, up to now
applications of the SCOZA were restricted only to a rather small
variety of interatomic potentials. In this contribution we
present an extension of the SCOZA which offers access to a
considerably larger class of systems. As an example, we present
results for model fullerenes 
(characterised
by the sphericalized Girifalco potentials) and thus contribute to
the still open question on the existence of the liquid phase and
on the size of the liquid pocket in the phase diagram of
fullerenes.
PACS: 61.20.Gy – Theory and models of liquid structure / 61.48.+c – Fullerenes and fullerene-related materials / 64.70.Fx – Liquid-vapor transitions
© EDP Sciences, 2003
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