Heuristic rule for binary superlattice coassembly: Mixed plastic mesophases of hard polyhedral nanoparticles
Soft Condensed Matter
2014-10-22 v3 Materials Science
Statistical Mechanics
Chemical Physics
Abstract
Sought-after ordered structures of mixtures of hard anisotropic nanoparticles can often be thermodynamically unfavorable due to the components' geometric incompatibility to densely pack into regular lattices. A simple compatibilization rule is identified wherein the particle sizes are chosen such that the order-disorder transition pressures of the pure components match (and the entropies of the ordered phases are similar). Using this rule with representative polyhedra from the truncated-cube family that form pure-component plastic-crystals, Monte Carlo simulations show the formation of plastic-solid solutions for all compositions and for a wide range of volume fractions.
Keywords
Cite
@article{arxiv.1408.2605,
title = {Heuristic rule for binary superlattice coassembly: Mixed plastic mesophases of hard polyhedral nanoparticles},
author = {Mihir R. Khadilkar and Fernando A. Escobedo},
journal= {arXiv preprint arXiv:1408.2605},
year = {2014}
}