Horsch Mark A, Zhang Zhenli, Glotzer Sharon C
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109-2136, USA.
Phys Rev Lett. 2005 Jul 29;95(5):056105. doi: 10.1103/PhysRevLett.95.056105.
We present results of molecular simulations that predict the phases formed by self-assembly of nanorods functionalized by a polymer "tether." Microphase separation of the immiscible tethers and rods coupled with the liquid crystal ordering of the rods induces the formation of a cubic phase, a smectic C phase, a tetragonally perforated lamellar phase, and a honeycomb phase; the latter two have been observed experimentally but have not been predicted. We also predict a new phase--a racemic mixture of hexagonally ordered chiral cylinders that self-assemble from these achiral building blocks.
我们展示了分子模拟的结果,这些模拟预测了由聚合物“系链”功能化的纳米棒自组装形成的相。不混溶的系链和棒的微相分离,再加上棒的液晶有序排列,诱导形成了立方相、近晶C相、四方穿孔层状相和蜂窝相;后两种相已通过实验观察到,但尚未被预测到。我们还预测了一种新相——由这些非手性构建块自组装而成的六方有序手性圆柱的外消旋混合物。