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Updated: May 21, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

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A density-functional theory study of microphase formation in binary Gaussian mixtures.

M Carta¹, D Pini, A Parola

¹Dipartimento di Fisica, Università di Milano, Via Celoria 16, 20133 Milano, Italy.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|June 29, 2012

Summary

This study explores phase formation in binary mixtures using density-functional theory. It identifies novel lamellar, rod, and cluster phases, revealing complex particle arrangements beyond simple stripes.

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Area of Science:

Statistical Mechanics
Soft Matter Physics
Computational Physics

Background:

Understanding phase behavior in complex fluids is crucial for materials science.
Binary mixtures with repulsive interactions can exhibit rich phase diagrams.
Previous studies established model potentials but lacked fully numerical density profile analysis.

Purpose of the Study:

To investigate the formation of inhomogeneous phases in a binary mixture.
To explore novel phases beyond simple stripe formation.
To determine the phase diagram and transition orders using a fully numerical approach.

Main Methods:

Density-functional theory (DFT) was employed.
Repulsive, athermal Gaussian potentials were used for particle interactions.
A fully numerical minimization of the free-energy functional was performed without prior assumptions on density profiles.

Main Results:

Lamellar, rod, and cluster phases were identified.
Lamellar phase: species form intercalating stripes.
Rod/Cluster phases: minority species localize on lattices (triangular/BCC), forming percolating networks with the majority species.

Conclusions:

The study reveals complex inhomogeneous structures in binary mixtures.
The findings expand the understanding of phase formation in soft matter systems.
The numerical approach provides a robust method for exploring phase behavior.