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Zoekopdracht: faculteit: "FNWI" en publicatiejaar: "2008"

AuteursY.D. Fomin, N.V. Gribova, V.N. Ryzhov, S.M. Stishov, D. Frenkel
TitelQuasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactions
TijdschriftJournal of Chemical Physics
Jaargang129
Jaar2008
Nummer6
Pagina's064512-
ISSN00219606
FaculteitFaculteit der Natuurwetenschappen, Wiskunde en Informatica
Instituut/afd.FNWI: Van 't Hoff Institute for Molecular Sciences (HIMS)
SamenvattingWe report a computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive-step potential. Using free-energy calculations, we have determined the equilibrium phase diagram of this system. At low temperatures, we observe a number of distinct crystal phases. However, under certain conditions the system undergoes a glass transition in a regime where the liquid appears thermodynamically stable. We argue that the appearance of this amorphous low-temperature phase can be understood by viewing this one-component system as a quasibinary mixture.
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