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Dynamical process of coalescence of domains in a short chain-molecule system

机译：短链分子系统中域合并的动力学过程

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As the fundamental process of structure formation for short chain molecules, the coalescence of two orientationally ordered domains are investigated by numerical simulation. Each domain consists of 61 chain molecules, each of which consists of 20 CH_2 groups. One domain is tilted against another one with a certain angle. Then, the potential energy excited by tilting makes each domain rotate gradually. In this process, it is demonstrated that domains move collectively as if they were rigid bodies in spite of the non-bonded short-range interaction potential (Lennard-Jones potential) among chain molecules. From analysis of oscillation period of each potential well, it is concluded that the rigidity of domain derives its origin from the fact that the Lennard-Jones potential interaction of the unit hexagonal cell is strengthened to the order of the bonded interaction by packing.
机译：作为短链分子结构形成的基本过程，通过数值模拟研究了两个取向有序域的结合。每个结构域由61个链分子组成，每个分子由20个CH_2基团组成。一个域以一定角度相对于另一个域倾斜。然后，通过倾斜激发的势能使每个畴逐渐旋转。在该过程中，证明了尽管链分子之间存在未结合的短程相互作用势（Lennard-Jones势），但域仍像刚性体一样集体移动。通过分析每个势阱的振荡周期，可以得出结论，畴的刚度源自其事实，即单位六边形晶胞的Lennard-Jones势相互作用通过堆积而增强为键相互作用的顺序。

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