A density-functional theory study of microphase formation in binary Gaussian mixtures
Creators
- 1. Dipartimento di Fisica, Università di Milano, Via Celoria 16, 20133 Milano (Italy)
- 2. Dipartimento di Scienza ed Alta Tecnologia, Università dell'Insubria, Via Valleggio 11, 22100 Como (Italy)
Description
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. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/0953-8984/24/28/284106Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 24
- Journal Issue
- 28
- Journal Page Range
- [6 p.]
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 43100119
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- BCC LATTICES; BINARY MIXTURES; DENSITY; DENSITY FUNCTIONAL METHOD; FREE ENERGY; MINIMIZATION; PERIODICITY; PHASE DIAGRAMS
- Descriptors DEC
- CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DIAGRAMS; DISPERSIONS; ENERGY; INFORMATION; MIXTURES; OPTIMIZATION; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; VARIATIONAL METHODS; VARIATIONS