Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford, OX1 3QZ, United Kingdom.
J Chem Phys. 2012 Feb 7;136(5):054904. doi: 10.1063/1.3679653.
The behaviour of two-dimensional patchy particles with five and seven regularly arranged patches is investigated by computer simulation. For higher pressures and wider patch widths, hexagonal crystals have the lowest enthalpy, whereas at lower pressures and for narrower patches, lower density crystals with five nearest neighbours that are based on the (3(2),4,3,4) tiling of squares and triangles become lower in enthalpy. Interestingly, in regions of parameter space near to that where the hexagonal crystals become stable, quasicrystalline structures with dodecagonal symmetry form on cooling from high temperature. These quasicrystals can be considered as tilings of squares and triangles and are probably stabilized by the large configurational entropy associated with all the different possible such tilings. The potential for experimentally realizing such structures using DNA multi-arm motifs is also discussed.
通过计算机模拟研究了具有五个和七个规则排列的斑块的二维斑块颗粒的行为。对于较高的压力和较宽的斑块宽度,六边形晶体具有最低的焓,而在较低的压力和较窄的斑块下,具有五个最近邻的基于正方形和三角形的(3(2),4,3,4)平铺的低密度晶体具有更低的焓。有趣的是,在接近六边形晶体变得稳定的参数空间区域附近,在高温冷却时会形成具有十二面体对称性的准晶结构。这些准晶体可以被认为是正方形和三角形的平铺,可能是由与所有可能的这种平铺相关的大构型熵稳定的。还讨论了使用 DNA 多臂基序实验实现这种结构的可能性。