Phase diagram for stimulus-responsive materials containing dipolar colloidal particles.

Dipolar colloidal particles self-assemble into a rich variety of microstructures ranging from co-crystals of unusual symmetry, to open networks (gels) of cross-linked chains of particles. We use molecular dynamics computer simulation to explore the self-assembly, structure, crystallization and/or gelation of systems of colloid particles with permanent dipole moments immersed in a high-dielectric solvent. Particle-particle interactions are modeled with a discontinuous potential. The phase diagram in the temperature-packing fraction plane is calculated. Several types of phases are found in our simulations: ordered phases including face-centered-cubic, hexagonal-close-packed, and body-centered-tetragonal at high packing fractions, and fluid, string-fluid, and gel phases at low packing fractions. The very low volume fraction gel phases and the well-ordered crystal phases are promising for advanced materials applications.