Shape selection in chiral self-assembly.
Shape selection in chiral self-assembly.
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DOI：
10.1103/physrevlett.93.158103
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发表时间：
2003-12
影响因子：
8.6
通讯作者：
R. Selinger;Jonathan V Selinger;A. P. Malanoski;J. Schnur
中科院分区：
文献类型：
--
作者：
R. Selinger;Jonathan V Selinger;A. P. Malanoski;J. Schnur
许多生物和合成材料自组装成螺旋或扭曲的聚集体。其形状是由弹性力与组成分子的取向和手性之间的复杂相互作用决定的。我们通过蒙特卡罗模拟研究了这种相互作用，并采用了一种加速算法，该算法由聚合的增长驱动。仿真结果表明，随着弹性模量的变化，曲率从圆柱形平滑地转变为鞍形。值得注意的是，根据分子取向的不同，单手性的分子可以形成任意一种手性的聚集体。
Many biological and synthetic materials self-assemble into helical or twisted aggregates. The shape is determined by a complex interplay between elastic forces and the orientation and chirality of the constituent molecules. We study this interplay through Monte Carlo simulations, with an accelerated algorithm motivated by the growth of an aggregate out of solution. The simulations show that the curvature changes smoothly from cylindrical to saddlelike as the elastic moduli are varied. Remarkably, aggregates of either handedness form from molecules of a single handedness, depending on the molecular orientation.