2007/03/22 by Dino Costa, D. Costa, Costa, D. +9
Chemistry · Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #FOS: Physical sciences #Fullerene Chemistry and Applications #Material Dynamics and Properties #Soft Condensed Matter (cond-mat.soft) #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.cond-mat/0703587
8 pages, 7 figures, text typeset with revtex4, manuscript submitted to J. Phys. Chem .B
arxiv created 2007/03/22 · openalex publication_date 2007/03/22 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.