title: On the jamming phase diagram for frictionless hard-sphere packings.
abstract: We computer-generated monodisperse and polydisperse frictionless hard-sphere packings of 10(4) particles with log-normal particle diameter distributions in a wide range of packing densities φ (for monodisperse packings φ = 0.46-0.72). We equilibrated these packings and searched for their inherent structures, which for hard spheres we refer to as closest jammed configurations. We found that the closest jamming densities φ(J) for equilibrated packings with initial densities φ ≤ 0.52 are located near the random close packing limit φ(RCP); the available phase space is dominated by basins of attraction that we associate with liquid. φ(RCP) depends on the polydispersity and is ∼ 0.64 for monodisperse packings. For φ > 0.52, φ(J) increases with φ; the available phase space is dominated by basins of attraction that we associate with glass. When φ reaches the ideal glass transition density φ(g), φ(J) reaches the ideal glass density (the glass close packing limit) φ(GCP), so that the available phase space is dominated at φ(g) by the basin of attraction of the ideal glass. For packings with sphere diameter standard deviation σ = 0.1, φ(GCP) ≈ 0.655 and φ(g) ≈ 0.59. For monodisperse and slightly polydisperse packings, crystallization is superimposed on these processes: it starts at the melting transition density φ(m) and ends at the crystallization offset density φ(off). For monodisperse packings, φ(m) ≈ 0.54 and φ(off) ≈ 0.61. We verified that the results for polydisperse packings are independent of the generation protocol for φ ≤ φ(g).
authors.affiliation: Department of Chemistry, Philipps-Universität Marburg, Hans-Meerwein-Strasse, 35032 Marburg, Germany. tallarek@staff.uni-marburg.de.
authors.forename: Vasili
authors.initials: V
authors.lastname: Baranau
authors.forename: Ulrich
authors.initials: U
authors.lastname: Tallarek