Soft Matter Systems Research Group, Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany.
Phys Rev Lett. 2010 May 14;104(19):198302. doi: 10.1103/PhysRevLett.104.198302. Epub 2010 May 11.
We study the conformational behavior of a polymer adsorbed at an attractive stringlike nanowire and construct the complete structural phase diagram in dependence of the binding strength and effective thickness of the nanowire. For this purpose, Monte Carlo optimization techniques are employed to identify lowest-energy structures for a coarse-grained model of a polymer in contact with the nanowire. Among the representative conformations in the different phases are, for example, compact droplets attached to the wire and also nanotubelike monolayer films wrapping it in a very ordered way. We here systematically analyze low-energy shapes and structural order parameters to elucidate the transitions between the structural phases.
我们研究了在具有吸引力的线状纳米线吸附的聚合物的构象行为，并构建了完整的结构相图，其中包括纳米线的结合强度和有效厚度。为此，我们采用了蒙特卡罗优化技术，用于确定与纳米线接触的聚合物粗粒模型的最低能量结构。在不同相中，代表性的构象包括例如紧密附着在纳米线的液滴，以及以非常有序的方式包裹纳米线的管状单层膜。在这里，我们系统地分析了低能形状和结构有序参数，以阐明结构相之间的转变。
