Please use this identifier to cite or link to this item: http://hdl.handle.net/2307/350
Title: Mode-coupling behavior of a Lennard-Jones binary mixture upon increasing confinement
Authors: Gallo, Paola
Attili, Andrea
Rovere, Mauro
Keywords: GLASS-TRANSITION
COMPUTER-SIMULATIONS
SUPERCOOLED LIQUIDS
RELAXATION
DYNAMICS
PHASE-EQUILIBRIUM
MICELLAR SYSTEM
TEMPERATURE
FORMER
WATER
Issue Date: 2009
Publisher: American Physical Society
Abstract: Molecular dynamics simulations are performed on a Lennard Jones binary mixture confined in off lattice matrices of soft spheres with increasing radius. We focus on dynamics upon supercooling and in particular on testing the mode coupling theory properties of the confined mixture. Parameters of mode coupling theory in going from bulk to weak confinement, and from weak to strong confinement are extracted from simulations and analyzed. We focus on the study of the behavior of the single particle density correlators. We find that the mode coupling theory retains its validity also in the case of strong confinement, with a reduction of range of validity. The role of hopping is discussed in relation with the differences between the results obtained from the diffusion coefficients and the mode coupling theory predictions.
URI: http://hdl.handle.net/2307/350
ISSN: 1539-3755
DOI: 10.1103/PhysRevE.80.061502
Appears in Collections:A - Articolo su rivista
X_Dipartimento di Fisica 'Edoardo Amaldi'

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