http://dspace-roma3.caspur.it:80 The DSpace digital repository system captures, stores, indexes, preserves, and distributes digital research material. Sat, 18 May 2013 09:00:58 GMT 2013-05-18T09:00:58Z http://dspace-roma3.caspur.it/image/logo_roma3.jpg http://dspace-roma3.caspur.it:80 http://hdl.handle.net/2307/350 <Title>Mode-coupling behavior of a Lennard-Jones binary mixture upon increasing confinement</Title> <Authors>Gallo, Paola; Attili, Andrea; Rovere, Mauro</Authors> <Issue Date>2009</Issue Date> <Is part of>Physical Review E</Is part of> <Volume>80</Volume> <Pages>061502</Pages> <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.</Abstract> Wed, 31 Dec 2008 23:00:00 GMT http://hdl.handle.net/2307/350 2008-12-31T23:00:00Z