New conserved structural fields for supercooled liquids

Autor: Farago, Jean, Semenov, Alexander N., Frey, Stefan, Baschnagel, Joerg
Rok vydání: 2013
Předmět:
Druh dokumentu: Working Paper
Popis: By considering Voronoi tessellations of the configurations of a fluid, we propose two new conserved fields, which provide structural information not fully accounted for by the usual 2-point density field fluctuations (structure factor). One of these fields is scalar and associated to the Voronoi cell volumes, whereas the other one, termed the "geometrical polarisation", is vectorial, related to the very local anisotropy of the configurations. We study the static and dynamical properties of these fields in the supercooled regime of a model glass-forming liquid. We show in particular that the geometrical polarisation is both statically correlated to the force field and contrary to it develops a plateau regime when the temperature is lowered. We attribute this behaviour to the microsopic disorder of the underlying inherent structures (IS) which dictate the dynamics on time scales larger than the true microscopic time, in the strong supercooled regime. In this respect, this work raises the issue of to what extent the inter IS dynamics, intrinsically anisotropic and collective (cf. T.B. Schr{\o}der et al. {\it J. of Chem. Phys.}, {\bf 112}, 9834 (2000)), could be related to their polarisation field.
Comment: submitted to EPJE the 09/30/2013
Databáze: arXiv