Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices
Soft Condensed Matter
2018-01-10 v1
Abstract
Using a recently introduced formulation of the ground-state inverse design problem for a targeted lattice [Pi\~neros et al., J. Chem. Phys. 144} 084502 (2016)], we discover purely repulsive and isotropic pair interactions that stabilize low-density truncated square and truncated hexagonal crystals, as well as promote their assembly in Monte Carlo simulations upon isochoric cooling from a high-temperature fluid phase. The results illustrate that the primary challenge to stabilizing very open two-dimensional lattices is to design interactions that can favor the target structure over competing stripe microphases.
Cite
@article{arxiv.1703.08615,
title = {Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices},
author = {William D. Piñeros and Thomas M. Truskett},
journal= {arXiv preprint arXiv:1703.08615},
year = {2018}
}
Comments
8 pages, 8 figures and supplementary material