Molecular Dynamics Simulations of Various Branched Polymeric Liquid Crystals
Molecular Dynamics Simulations of Various Branched Polymeric Liquid Crystals
复制标题
各种支化聚合物液晶的分子动力学模拟
DOI：
10.1080/15421400802451675
复制
发表时间：
2008
影响因子：
0.7
通讯作者：
Lorna M. Stimson
中科院分区：
文献类型：
--
作者：
Ja. M. Ilnytskyi;Dieter Neher;M. Saphiannikova;Mark R. Wilson;Lorna M. Stimson
我们讨论了几种类型的聚合物液晶的分子动力学模拟。在各向同性、向列和近晶a溶剂中研究了具有多种介生附着物的树状大分子，重点研究了分子形状与相结构之间的耦合关系。研究了液晶侧链聚合物在不同体相中的结构和动力学。在这里，在每个相中，分子形状和分子组织之间再次注意到强耦合。我们还考虑了含偶氮苯聚合物的光致变形，并证明了这些变形的“相反符号”，在液晶和非晶系统中实验观察到，可以完全通过偶氮苯的反式异构体的重定向来解释。
We discuss molecular dynamics simulations for several types of polymeric liquid crystals. Dendrimers with a variety of mesogenic attachments are studied in isotropic, nematic and smectic A solvents, with an emphasize on the coupling between molecular shape and the structure of the phase. The structure and dynamics of liquid crystal side-chain polymers are studied within different bulk phases. Here, again a strong coupling is noted between molecular shape and molecular organisation within each phase. We also consider photo-induced deformation in azobenzene-containing polymers and demonstrate that the “opposite sign” of these deformations, observed experimentally in liquid crystalline and amorphous systems, can be explained solely by the reorientation of trans-isomers of azobenzene.