表面超分子组装的多角模型：设计约束和结构选择性
Polyomino Models of Surface Supramolecular Assembly: Design Constraints and Structural Selectivity
摘要：
我们研究紧急性质的二维超分子网络，使用枚举的配置所形成的相互作用的多米诺骨牌正方形格子作为一个简单的模型系统。可能的基态确定使用凸包结构的相互作用参数的最近邻键。我们演示了如何使用这种结构来设计相互作用参数，从而导致网络具有特定的属性，包括手性和高度退化的基态。然后，我们介绍动力学简单的局部重排。通过将位形空间划分为满足不同拓扑约束的小集合，我们可以设计出动力学捕获的位形。通过考虑沿方向通过凸包的热容曲线，我们还展示了相互作用的多米诺骨牌配置的设计，以创建对温度引起的相变的平铺鲁棒性。我们讨论了这种设计结构的扩展到更复杂的分子形状。
英文摘要：
We examine emergent properties of 2D supramolecular networks, using enumeration of configurations formed by interacting dominoes on square lattices as a simple model system. Possible ground states are identified using a convex hull construction in the interaction parameters for nearest-neighbour bonds. We demonstrate how this construction can be used to design interaction parameters which lead to networks with specific properties, including chirality and highly degenerate ground states. We then introduce kinetics as simple local rearrangements. By partitioning the configuration space into smaller sets which satisfy different topological constraints, we can design configurations which are kinetically trapped. By considering heat capacity curves along directions through the convex hull, we also demonstrate design of interacting domino configurations to create tilings robust against temperature induced phase transitions. We discuss extension of this design construction to more complex molecular shapes.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
