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Identification of elastic properties of interphase and interface in graphene-polymer nanocomposites by atomistic simulations

机译:原子模拟识别石墨烯 - 聚合物纳米复合材料中的相互作用和界面的弹性性能

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摘要

This article tackles the problem of identification of elastic continuum model by atomistic simulations for graphene polymer nanocomposite. The Atomistic Local IdentificAtion of Stiffness method, so-called ALIAS method, is developed to estimate the local stiffness tensor at all points of polymer graphene laminate nanocomposite. Results suggest that the graphene can be modeled at continuum scale by a general imperfect interface with zero thickness. Moreover, the identification procedure reveals the existence of interphase on either side of the graphene with a thickness of 1 nm, which is one and a half times stiffer than the polymer bulk matrix. The identified continuum model is used to study the effective elastic properties of nanocomposites with sandwich microstructure. This study at continuum scale reveals a softening effect due the very low stiffness of slip along graphene plane. The softening due to the interfaces is preponderant in relation to the interphase stiffening. Finally, the continuum model also suggests that the wrinkling of graphene increases the stiffness of nanocomposites.
机译:本文通过石墨烯聚合物纳米复合材料原子模拟来解决弹性连续体模型的识别问题。开发了刚度方法,所谓的别亚颗粒方法的原子局部识别,以估计聚合物石墨烯层压材料的所有点处的局部刚度张量。结果表明,石墨烯可以通过零厚度的一般不完美界面在连续尺度上进行建模。此外,鉴定程序揭示了石墨烯两侧的相互作用,其厚度为1nm,这是比聚合物堆积基质更硬的一个半倍和半倍。所确定的连续模型用于研究纳米复合材料的有效弹性特性与夹层微观结构。该研究在连续尺度下揭示了由于沿石墨烯平面的极低刚度而产生的软化效果。由于界面引起的软化是相对于差异加强的优势。最后,连续模型还表明石墨烯的皱纹增加了纳米复合材料的刚度。

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  • 来源
    《Composites Science and Technology》 |2021年第8期|108943.1-108943.12|共12页
  • 作者单位

    Univ Gustave Eiffel CNRS UMR 8208 MSME Univ Paris Est Creteil F-77454 Marne La Vallee France|Univ Paris Saclay CNRS Lab Mecan Sols Struct & Mat MSSMAT Cent Supelec F-91190 Gif Sur Yvette France|Chinese Acad Sci Shenzhen Inst Adv Technol Shenzhen Inst Adv Elect Mat Shenzhen 518103 Peoples R China;

    Univ Gustave Eiffel CNRS UMR 8208 MSME Univ Paris Est Creteil F-77454 Marne La Vallee France;

    Univ Gustave Eiffel CNRS UMR 8208 MSME Univ Paris Est Creteil F-77454 Marne La Vallee France;

    Univ Paris Saclay CNRS Lab Mecan Sols Struct & Mat MSSMAT Cent Supelec F-91190 Gif Sur Yvette France;

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

    Polymer nanocomposites; Graphene; Interface; Interphase; Mechanical properties;

    机译:聚合物纳米复合材料;石墨烯;界面;相互作用;机械性能;

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