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Molecular-Level Deformations in Auxetic Organic Networked Polymers

机译:辅助有机网络聚合物的分子水平变形

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摘要

Auxetic materials exhibit the unusual property of getting fatter when stretched and thinner when compressed, i.e. exhibit a negative Poisson's ratio. Here we simulate and analyze three types of 2D networked polymers two of which are polyphenylacetylene polymers and the third is constructed from calix[4]arene building blocks. We simulate the molecular level deformations that take place when these systems are stretched in various directions in an attempt to obtain an insight into the molecular level deformations which result in auxeticity. The results of these simulations are then used to explain why these polymers are auxetic for loading in certain directions but not in others.
机译:辅助材料表现出不寻常的特性,即在拉伸时变胖,而在压缩时变薄,即具有负的泊松比。在这里,我们模拟和分析了三种类型的2D网络聚合物,其中两种是聚苯乙炔聚合物,第三种是由杯[4]芳烃结构单元构建的。我们模拟了当这些系统在各个方向上拉伸时发生的分子水平变形,以试图洞悉导致膨胀性的分子水平变形。然后,将这些模拟的结果用于解释为什么这些聚合物在某些方向上是膨胀的,而在其他方向上却没有。

著录项

  • 来源
  • 会议地点 Valletta(MT)
  • 作者单位

    Department of Chemistry, University of Malta, Msida MSD 2080, Malta;

    Department of Chemistry, University of Malta, Msida MSD 2080, Malta;

    Department of Chemistry, University of Malta, Msida MSD 2080, Malta;

    Department of Chemistry, University of Malta, Msida MSD 2080, Malta;

  • 会议组织
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 TQ050.43;
  • 关键词

  • 入库时间 2022-08-26 14:19:56

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