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石墨烯/聚酰亚胺复合膜热导率的分子动力学模拟

徐京城 戴思畅 李昊亮 杨俊和

新型炭材料2018,Vol.33Issue(3):213-220,8.
新型炭材料2018,Vol.33Issue(3):213-220,8.DOI:10.1016/S1872-5805(18)60336-1

石墨烯/聚酰亚胺复合膜热导率的分子动力学模拟

Molecular dynamics simulation of the thermal conductivity of graphitized graphene/polyimide films

徐京城 1戴思畅 2李昊亮 1杨俊和1

作者信息

  • 1. 上海理工大学材料科学与工程学院,上海200093
  • 2. 上海材料创新研究院,上海200444
  • 折叠

摘要

Abstract

Graphitized polyimide strips act as bridges between graphene nanoribbons to form macro-scale graphitized graphene/ polyimide films.The effect of the sizes of the two components was investigated by non-equilibrium molecular dynamics simulation using the optimized Tersoff molecular force field.Results indicate that the thermal conductivity of the graphene nanoribbon increases almost linearly with length for lengths below 800 nm,but increases as a power function and converges to about 4 300 W/(m · K) above this.The heat conduction between graphene ribbons in the graphitized graphene/polyimide films is improved by increasing the number or width of the graphitized polyimide strips,but is lowered by increasing their length.

关键词

分子动力学/热导率/石墨烯/聚酰亚胺/分子焊接

Key words

Molecular dynamics/Thermal conductivity/Graphene/Polyimide/Molecular welding

分类

化学化工

引用本文复制引用

徐京城,戴思畅,李昊亮,杨俊和..石墨烯/聚酰亚胺复合膜热导率的分子动力学模拟[J].新型炭材料,2018,33(3):213-220,8.

基金项目

国家自然科学基金(51472160) (51472160)

上海市科技创新行动计划项目(14521100600).National Natural Foundation of China (51472160) (14521100600)

Shanghai Science and Technology Innovation Action Plan (14521100600). (14521100600)

新型炭材料

OA北大核心CSCDCSTPCDSCI

1007-8827

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