Prediction of elastic properties of carbon nanotube reinforced composites
Prediction of elastic properties of carbon nanotube reinforced composites
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DOI：
10.1098/rspa.2004.1422
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发表时间：
2005-06-08
影响因子：
3.5
通讯作者：
Yan, B
中科院分区：
文献类型：
--
作者：
Hu, N;Fukunaga, H;Yan, B
本文通过分析一个典型体积单元（RVE）在不同载荷条件下的弹性变形，对碳纳米管增强复合材料的宏观弹性性能进行了评价。该RVE包含三个组分，即碳纳米管、纳米管和聚合物基质之间的过渡层以及外部聚合物基质体。首先，基于分子力学和计算结构力学的力场理论，建立了碳纳米管的等效梁模型。建立了等效梁单元的材料特性与力常数之间的显式关系。其次，为了在原子水平上描述纳米管与外部聚合物基体之间的相互作用，进行了分子力学和分子动力学计算，以获得过渡层的厚度和材料性质。此外，一个有效的三维八节点砖有限元模型的过渡层和外部聚合物基体。RVE的宏观行为，然后可以通过传统的有限元方法进行评估。在数值模拟中，各种重要因素，如过渡层的刚度和RVE的几何形状，对最终的复合材料的宏观材料性能的影响进行了详细的研究。
In this paper, the macroscopic elastic properties of carbon nanotube reinforced composites are evaluated through analysing the elastic deformation of a representative volume element (RVE) under various loading conditions. This RVE contains three components, i.e. a carbon nanotube, a transition layer between the nanotube and polymer matrix and an outer polymer matrix body. First, based on the force field theory of molecular mechanics and computational structural mechanics, an equivalent beam model is constructed to model the carbon nanotube effectively. The explicit relationships between the material properties of the equivalent beam element and the force constants have been set-up. Second, to describe the interaction between the nanotube and the outer polymer matrix at the level of atoms, the molecular mechanics and molecular dynamics computations have been performed to obtain the thickness and material properties of the transition layer. Moreover, an efficient three-dimensional eight-noded brick finite element is employed to model the transition layer and the outer polymer matrix. The macroscopic behaviours of the RVE can then be evaluated through the traditional finite element method. In the numerical simulations, the influences of various important factors, such as the stiffness of transition layer and geometry of RVE, on the final macroscopic material properties of composites have been investigated in detail.