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We performed all-atom molecular dynamics simulations for bulk cyclohexane andanalysed the short- and medium-range structures in supercooled and glassystates by using the Voronoi tessellation technique. From the analyses of boththe potential energy of the system and the radial distribution function ofmolecules, cyclohexane was found to be vitrified as the temperature decreased.Furthermore, the icosahedral-like structures are dominant at all temperaturesand grow in a supercooled liquid, whereas the face-centred cubic structures donot grow when the temperature decreases. It was also ascertained that theicosahedral-like structure is more dominant than the full-icosahedral one. Thenetwork of the distorted icosahedron spreads throughout the system at lowtemperatures. Our simulation demonstrates the stability of the icosahedralstructure even in a non-spherical molecule such as cyclohexane.

Icosahedral order in liquid and glassy phases of cyclohexane