Impact of torsional function on thermal conductivity of polyethylene chains

TU Runchun; LIAO Quanwen; LIU Zhichun; LIU Wei

doi:10.11949/j.issn.0438-1157.20170557

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Impact of torsional function on thermal conductivity of polyethylene chains

更新时间：2025-12-10

- Impact of torsional function on thermal conductivity of polyethylene chains
- CIESC Journal Issue S1, Pages: 60-65(2017)
- 作者机构：
  
  华中科技大学能源与动力工程学院,湖北,武汉,430074
- 作者简介：
- 基金信息：
- DOI：10.11949/j.issn.0438-1157.20170557
  CLC： Q31
- Online First：31 August 2017，
  
  Published：31 August 2017
- 稿件说明：
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TU Runchun, LIAO Quanwen, LIU Zhichun, et al. Impact of torsional function on thermal conductivity of polyethylene chains[J]. CIESC Journal, 2017, (S1): 60-65.
DOI：

TU Runchun, LIAO Quanwen, LIU Zhichun, et al. Impact of torsional function on thermal conductivity of polyethylene chains[J]. CIESC Journal, 2017, (S1): 60-65. DOI： 10.11949/j.issn.0438-1157.20170557.

摘要

聚乙烯块体材料是一种绝缘体，其导热性能可以通过掺杂或拉伸等方法提升，纳米尺度下的聚乙烯单链沿长度方向拥有很高的热导率。针对聚乙烯链，通过平衡态分子动力学方法对原始单链、多链、扭转链和拉伸链进行热导率计算。结果显示，单链扭转后其热导率小幅度降低，多链按照特定方式扭转会小幅度增强整体的热导率。此外，多链整体拉伸时热导率会极大地提升。基于上述结果提出一种导热性能更好的扭转拉伸链。研究结果可对多种物理过程作用下聚合物链导热性能的提升工作提供参考。

Abstract

Bulk polyethylene material is an insulator

whose thermal conductivity could be improved by doping or stretching methods etc

but a single polyethylene chain owns a considerably high thermal conductivity. For polyethylene chains

a detailed calculation is made on the thermal conductivity of original single chain

several chains

torsional chains and stretching chains using equilibrium molecular dynamics methods. Results show that

the thermal conductivity of a single torsional chain decreases slightly

but the thermal conductivity of several chains improves a little when the chains twisted in a particular way. Besides

the thermal conductivity of several chains could achieve a great improvement under stretching loading. Based on above results

a torsional and stretching strand accompanied by better heat-conducting properties is introduced. It has a great significance in guiding the improvement work of the heat conduction of polymer chains under a variety of physical loading.

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