Freezing by Monte Carlo phase switch

Citation
Nb. Wilding et Ad. Bruce, Freezing by Monte Carlo phase switch, PHYS REV L, 85(24), 2000, pp. 5138-5141
Citations number
18
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
85
Issue
24
Year of publication
2000
Pages
5138 - 5141
Database
ISI
SICI code
0031-9007(200012)85:24<5138:FBMCPS>2.0.ZU;2-J
Abstract
We describe a Monte Carlo procedure which allows sampling of the disjoint c onfiguration spaces associated with crystalline and fluid phases, within a single simulation. The method utilizes biased sampling techniques to enhanc e the probabilities of gateway states tin each phase which are such that a global switch (to the other phase) can be implemented. Equilibrium freezing -point parameters can be determined directly, statistical uncertainties pre scribed transparently, and finite-size effects quantified systematically. T he method is potentially quite general. We apply it to the freezing of hard spheres.