Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices
arXiv:1703.08615 · doi:10.1063/1.4979715
Abstract
Using a recently introduced formulation of the ground-state inverse design problem for a targeted lattice [Piñeros 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.
8 pages, 8 figures and supplementary material
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- Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well
- Inverse Design of Non-Equilibrium Steady-States: A Large Deviation Approach
- Free-Energy Functional Approach to Inverse Problems for Self-Assembly of Three-Dimensional Crystals