title: Phase transitions and thermodynamic properties of dense assemblies of truncated nanocubes and cuboctahedra.
abstract: Inspired by recent advances on the self-assembly of non-spherical nanoparticles, Monte Carlo simulations of the packing and thermodynamic properties of truncated nanocubes and cuboctahedra have been performed. The ergodicity problem was overcome by a modified Wang-Landau entropic sampling algorithm and equilibrium structural and thermodynamic properties were computed over a wide density range for both non-interacting and interacting particles. We found a structural transition from a simple cubic to a rhombohedral order when the degree of truncation exceeds a value of 0.9.
authors: Department of Chemistry and Molecular Biology, University of Gothenburg, SE-412 96 Gothenburg, Sweden.
authors: Nikolai
authors: N
authors: Volkov
authors: Alexander
authors: A
authors: Lyubartsev
authors: Lennart
authors: L
authors: Bergström