Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-03-22
Physics
Condensed Matter
Soft Condensed Matter
8 pages, 7 figures, text typeset with revtex4, manuscript submitted to J. Phys. Chem .B
Scientific paper
We report a study of the mode-coupling theory (MCT) glass transition line for the Girifalco model of C60 fullerene. The equilibrium static structure factor of the model, the only required input for the MCT calculations, is provided by molecular dynamics simulations. The glass transition line develops inside the metastable liquid-solid coexistence region and extends down in temperature, terminating on the liquid sideof the metastable portion of the liquid-vapor binodal. The vitrification locus does not show re-entrant behavior. A comparison with previous computer simulation estimates of the location of the glass line suggests that the theory accurately reproduces the shape of the arrest line in the density-temperature plane. The theoretical HNC and MHNC structure factors (and consequently the corresponding MCT glass line) compare well with the numerical counterpart. These evidences confirm the conclusion drawn in previous works about the existence of a glassy phase for the fullerene model at issue.
Abramo Maria C.
Caccamo Carlo
Costa Dino
Ruberto Romina
Sciortino Francesco
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