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 X-0. We evaluate the translational D-trans and the rotational D-rot diffusion coefficients and the associated isodiffusivity lines in the phi-X-0 plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the D-trans and D-rot isodiffusivity lines. While the self-intermediate scattering function exhibits stretched relaxation, i.e., glassy dynamics, only for large phi and X-0 approximate to 1, the second order orientational correlator C-2(t) shows stretching only for large and small X-0 values. We discuss these findings in the context of a possible prenematic order driven glass transition.

Dynamics of uniaxial hard ellipsoids / DE MICHELE, Cristiano; Schilling, R; Sciortino, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 98:(2007), pp. 265702-1-265702-4. [10.1103/PhysRevLett.98.265702]

Dynamics of uniaxial hard ellipsoids

DE MICHELE, CRISTIANO;SCIORTINO, Francesco
2007

Abstract

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 X-0. We evaluate the translational D-trans and the rotational D-rot diffusion coefficients and the associated isodiffusivity lines in the phi-X-0 plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the D-trans and D-rot isodiffusivity lines. While the self-intermediate scattering function exhibits stretched relaxation, i.e., glassy dynamics, only for large phi and X-0 approximate to 1, the second order orientational correlator C-2(t) shows stretching only for large and small X-0 values. We discuss these findings in the context of a possible prenematic order driven glass transition.
2007
GLASS-TRANSITION; HARD ELLIPSOIDS; EVENT-DRIVEN SIMULATIONS; MOLECULAR MODE COUPLING THEORY
01 Pubblicazione su rivista::01a Articolo in rivista
Dynamics of uniaxial hard ellipsoids / DE MICHELE, Cristiano; Schilling, R; Sciortino, Francesco. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 98:(2007), pp. 265702-1-265702-4. [10.1103/PhysRevLett.98.265702]
File allegati a questo prodotto
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/361536
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 63
  • ???jsp.display-item.citation.isi??? 63
social impact