设计稳定开放晶体的成对相互作用：截断正方形和截断六角晶格
Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices
摘要：
使用最近引入的用于目标晶格的基态逆设计问题的公式化[Piñeros等人，J. Chem. Phys. 144} 084502（2016）]，我们发现了纯粹的排斥和各向同性对相互作用，其稳定了低密度截顶正方形和截顶六边形晶体，并且在从高温流体相等容冷却时在蒙特卡罗模拟中促进了它们的组装。结果表明，稳定非常开放的二维晶格的主要挑战是设计相互作用，可以有利于竞争条纹微相的目标结构。
英文摘要：
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.
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