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Molecular dynamics study of the role of friction on the thermal rupture of linear alternate copolymers

机译:摩擦对线性交替共聚物热断裂作用的分子动力学研究

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摘要

We investigated, using extensive molecular dynamics simulations, the role of friction on the thermal rupture of a linear alternating copolymer tethered at one end and pulled by a constant tensile force at the other. Rupture has been described as escape from a metastable minimum of effective bond potential. We studied the effect of friction on the average first passage time and the average rate of chain scission. The role of friction on healing/recombination was also studied.
机译:我们使用广泛的分子动力学模拟研究了摩擦在一端被束缚并在另一端受到恒定拉伸力拉动的线性交替共聚物的热断裂中的作用。破裂被描述为摆脱了有效结合电位的亚稳态最小值。我们研究了摩擦对平均第一次通过时间和平均断链率的影响。还研究了摩擦对愈合/重组的作用。

著录项

  • 来源
    《Macromolecular Research 》 |2011年第11期| p.1192-1194| 共3页
  • 作者单位

    Department of Chemical and Biomolecular Engineering, Sogang University, Seoul, 121-742, Korea;

    Department of Chemical and Biomolecular Engineering, Sogang University, Seoul, 121-742, Korea;

    Department of Chemical and Biomolecular Engineering, Sogang University, Seoul, 121-742, Korea;

    Department of Chemical and Biomolecular Engineering, Sogang University, Seoul, 121-742, Korea;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    molechlar dynamics; thermal rupture; friction; linear copolymer;

    机译:分子动力学;热断裂;摩擦;线性共聚物;

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