STABILITY OF THE AB CRYSTAL FOR ASYMMETRIC BINARY HARD-SPHERE MIXTURES

Authors
TRIZAC E ELDRIDGE MD MADDEN PA
Citation
E. Trizac et al., STABILITY OF THE AB CRYSTAL FOR ASYMMETRIC BINARY HARD-SPHERE MIXTURES, Molecular physics, 90(4), 1997, pp. 675-678
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
90
Issue
4
Year of publication
1997
Pages
675 - 678
Database
ISI
SICI code
0026-8976(1997)90:4<675:SOTACF>2.0.ZU;2-I
Abstract
The thermodynamic stability of the AB (rocksalt) structure for binary mixtures of hard spheres is established by means of Monte Carlo and mo lecular dynamics simulations. Constant pressure and constant volume ph ase diagrams are presented for size ratios root 2 - 1 and 0.45. A phas e-separation molecular dynamics experiment is described, confirming th e predictions of the phase diagram.