聚合物吸附在纳米线上的构象phase diagram
Conformational phase diagram for polymers adsorbed at ultrathin nanowires
摘要：
我们研究了吸附在有吸引力的纳米线上的聚合物的构象行为，并根据纳米线的结合强度和有效厚度构建了完整的结构相图。为此，蒙特卡罗优化技术被用来识别最低能量结构的粗粒度的混合聚合物线模型。在不同相的代表性构象中，例如，附着在线上的紧凑液滴以及以非常有序的方式包裹线的纳米管状单层膜。在这里，我们系统地分析了低能量的形状和结构序参量阐明结构相之间的转变。
英文摘要：
We study the conformational behavior of a polymer adsorbed at an attractive nanostring and construct the complete structural phase diagram in dependence of the binding strength and effective thickness of the string. For this purpose, Monte Carlo optimization techniques are employed to identify lowest-energy structures for a coarse-grained hybrid polymer-wire model. Among the representative conformations in the different phases are, for example, compact droplets attached to the string and also nanotube-like monolayer films wrapping the string in a very ordered way. We here systematically analyze low-energy shapes and structural order parameters to elucidate the transitions between the structural phases.
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