Microscopic dynamics of hard ellipsoids in their liquid and glassy phase
نویسندگان
چکیده
منابع مشابه
Microscopic Dynamics of Hard Ellipsoids in Their Liquid and Glassy Phase
To investigate the influence of orientational degrees of freedom onto the dynamics of molecular systems in its supercooled and glassy regime we have solved numerically the mode-coupling equations for hard ellipsoids of revolution. For a wide range of volume fractions φ and aspect ratios x0 we find an orientational peak in the center of mass spectra χ ′′ 000(q, ω) and φ ′′ 000(q, ω) about one de...
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We have carried out computer simulations of overcompressed suspensions of hard monodisperse ellipsoids and observed their crystallization dynamics. The system was compressed very rapidly in order to reach the regime of slow, glass-like dynamics. We find that, although particle dynamics become sub-diffusive and the intermediate scattering function clearly develops a shoulder, crystallization pro...
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We study the dynamics of monodisperse hard ellipsoids via a new event-driven molecular dynamics algorithm as a function of volume fraction phi and aspect ratio X0. We evaluate the translational D(trans) and the rotational D(rot) diffusion coefficients and the associated isodiffusivity lines in the phi-X0 plane. We observe a decoupling of the translational and rotational dynamics which generates...
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We present a computer simulation study of the crystalline phases of hard ellipsoids of revolution. A previous study [P. Pfleiderer and T. Schilling, Phys. Rev. E 75, 020402 (2007)]. showed that for aspect ratios a/b>or=3 the previously suggested stretched-fcc phase [D. Frenkel and B. Mulder, Mol. Phys. 55, 1171 (1985)] is unstable with respect to a simple monoclinic phase with two ellipsoids of...
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In this work, the well-known Frenkel-Mulder phase diagram of hard ellipsoids of revolution [D. Frenkel and B. M. Mulder, Mol. Phys. 55, 1171 (1985)] is revisited by means of replica exchange Monte Carlo simulations. The method provides good sampling of dense systems and so, solid phases can be accessed without the need of imposing a given structure. At high densities, we found plastic solids an...
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ژورنال
عنوان ژورنال: Journal of Non-Crystalline Solids
سال: 2002
ISSN: 0022-3093
DOI: 10.1016/s0022-3093(02)01456-4