We use density-functional theory to study the formation of inhomogeneous phases in a binary mixture of particles interacting by repulsive, athermal Gaussian potentials with suitably chosen strengths and ranges. Both the potential parameters and the free-energy functional are the same as those adopted in a previous investigation by other authors (Archer A J, Likos C N and Evans R 2004 J. Phys.: Condens. Matter 16 L297), but here a fully numerical minimization of the functional is performed, without any assumption about the functional form of the density profile. We find lamellar, rod and cluster phases. In the lamellar phase, the two species arrange into intercalating stripes; in the rod and cluster phases, the minority species is localized at the site of a periodic lattice, either triangular (for rods) or body-centred cubic (for clusters), while the other species is distributed non-uniformly in the remaining region, so that it forms a percolating network. The order of the transition from the homogeneous to the inhomogeneous phase and the phase diagram of the mixture are also discussed.
A density-functional theory study of microphase formation in binary Gaussian mixtures / M. Carta, D. Pini, A. Parola, L. Reatto. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - 24:28(2012 Jun), pp. 284106.284106.1-284106.284106.6.
|Titolo:||A density-functional theory study of microphase formation in binary Gaussian mixtures|
PINI, DAVIDE ENRICO (Secondo)
REATTO, LUCIANO (Ultimo)
|Parole Chiave:||Gaussian mixtures ; microphases ; density-functional theory|
|Settore Scientifico Disciplinare:||Settore FIS/03 - Fisica della Materia|
|Data di pubblicazione:||giu-2012|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1088/0953-8984/24/28/284106|
|Appare nelle tipologie:||01 - Articolo su periodico|