Voronoi Tessellation in Model Glass Systems

摘要: Numerical Voronoi tessellation is used to investigate the mechanisms of frustration in some model glass systems. First, random packings 8192 hard spheres increasing volume fraction c are built flat three dimensional space using an efficient computer algorithm. Their statistics evolves with as if system would like reach a pure icosahedral order when extrapolating above Bernal limit cb ≈ 0.645. Second, this study extended curved space, sphere S3 When decurving by number N spheres, most compact converge packing. For particular values, fractions exhibit maxima corresponding narrower histograms for edges polyhedra faces. Third, super-cooled liquid and samples 1000 atoms generated at different temperatures T after quench from state, classical micro-canonical molecular dynamics simple soft-sphere potential. decreasing T,the ideal appears again extrapolated situation which cannot be realized due geometrical frustration.