Effect of rigidity on the crystallization processes of short polymer melts.
Effect of rigidity on the crystallization processes of short polymer melts.
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DOI：
10.1103/physreve.63.061807
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发表时间：
2001-05
期刊：
影响因子：
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通讯作者：
T. Miura;R. Kishi;M. Mikami;Y. Tanabe
中科院分区：
文献类型：
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作者：
T. Miura;R. Kishi;M. Mikami;Y. Tanabe
用粗粒分子动力学方法研究了链状分子稠密熔体结晶过程中的有序形成。对于半刚性分子，平行取向和链的伸长同时发生。然而，对于半柔性分子，观察到长的诱导期。局域序参量的时间演化研究表明，两个不同的过程发生，这意味着一个先决条件的存在。对于柔性分子，在链刚性的某些尖锐阈值条件下，结构大多变成无定形的。结果表明，主链的刚性对致密熔体的结晶动力学行为有很大的影响，特别是在早期阶段。
Order formation in crystallization processes of the dense melts of chain molecules has been studied by the coarse-grained molecular dynamics method. For semirigid molecules, the parallel orientation and elongation of chains take place simultaneously. However, for semiflexible molecules, long induction periods are observed. Time evolution studies of local order parameters indicated that two different processes occur, which implies that a precondition exists. For flexible molecules, the structures become mostly amorphous at certain sharp threshold conditions of chain rigidity. It was determined that the rigidity of the main chains strongly influences the dynamic behavior of crystallization for dense melts, particularly in the early stage.