Effect of Defective Graphene on Mechanical Properties of Reinforced Resin Matrix Composites
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摘要: 基于分子结构力学和多尺度方法，采用有限元商业软件ABAQUS，针对石墨烯存在的几种缺陷，构建了含有不同数量的双原子空缺缺陷和Stone-Wales（S-W）缺陷的石墨烯增强环氧树脂复合材料的有限元模型，研究了石墨烯的缺陷在不同石墨烯体积分数下对复合材料弹性模量以及界面层应力传递的影响。数值模拟结果表明，随着石墨烯体积分数的增加，完美石墨烯和缺陷石墨烯增强环氧树脂复合材料弹性模量均呈现线性上升。其次，缺陷种类和数量之间的结果对比表明，空缺缺陷会明显降低复合材料的弹性模量，且随着缺陷数量的增加，变化更明显。而S-W缺陷在一定程度上增加了复合材料的杨氏模量，对于剪切模量，则出现下降趋势。另外，界面层的应力传递一定程度上反映了缺陷对复合材料的影响。Abstract: Based on the molecular structural mechanics and multi-scale method, the finite element model of graphene reinforced epoxy resin composite with different number of vacancy defects and Stone-Wales (S-W) defects was constructed by using the finite element commercial software ABAQUS.The effects of graphene defects on the elastic modulus and interfacial stress transfer of composites with different volume fractions of graphene were investigated.The numerical simulation results show that the elastic modulus of the perfect graphene and the defective graphene reinforced epoxy resin composite increases linearly with the increase of the volume fraction of graphene.Secondly, the comparison between the number of defects and the type of defects shows that the vacancy defect can obviously reduce the modulus of elasticity of the composite, and the change is more obvious with the increase of the number of defects.However, the S-W defect increases the Young's modulus of the composites to a certain extent, but the shear modulus decreases.In addition, the stress transfer from the interface layer to some extent reflects the effect of defects on the composites.
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Key words:
- graphene /
- defect /
- composites /
- mechanical properties /
- multi-scale method
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图 1 石墨烯六边形晶格与有限元模型的等效替代
Figure 1. Equivalent substitution of graphene hexagon lattice with finite element model
图 2 石墨烯C-C键与梁单元之间的变形等效
Figure 2. Deformation equivalence between the C-C bond of graphene and the beam element
图 3 含有9个双原子空缺缺陷(a)和9个S-W缺陷(b)的有限元模型
Figure 3. Finite element model containing nine diatomic vacancy defects and nine S-W defects
图 4 石墨烯增强环氧树脂基复合材料的代表性体积单元
Figure 4. Representative volume element of graphene reinforced epoxy matrix composites
图 5 不同尺寸石墨烯的杨氏模量和剪切模量
Figure 5. Young's modulus and shear modulus of graphene with different sizes
图 6 无缺陷石墨烯增强环氧树脂复合材料的杨氏模量和剪切模量
Figure 6. Young's modulus and shear modulus of perfect graphene reinforced epoxy composites
图 7 含有不同数量空缺缺陷石墨烯复合材料的界面层应力云图
Figure 7. Stress cloud map of interface layer containing different vacancy defects graphene composites
图 8 含有不同数量S-W缺陷石墨烯复合材料的界面层应力云图
Figure 8. Stress cloud map of interface layer containing different S-W defects graphene composites
图 9 不同缺陷情况杨氏模量Ex和Ey随体积分数的变化
Figure 9. Variation of Young's modulus Ex and Ey with volume fraction under different defects
图 10 不同缺陷情况剪切模量Gxy和Gxz随体积分数的变化
Figure 10. Variation of Young's modulus Gxy and Gxz with volume fraction under different defects
图 11 界面层的正应力σx和切应力τxy随界面层位置的变化
Figure 11. Variation of normal stress σx and shear stress τxy at the interface layer with the position of the interface layer
表 1 等效梁单元的材料属性
Table 1. Material properties of the equivalent beam element
d/nm L/nm kr/(μN·rad-1) kθ/(aN·m·rad-2) kτ/(aN·m·rad-2) E/GPa G/GPa 0.146 0.142 0.652 0.875 0.278 5 780 878 
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表 2 石墨烯的材料属性参数
Table 2. Material property parameters of graphene
Ex/GPa Ey/GPa Ez/GPa ν12 ν13 ν23 Gxy/GPa Gxz/GPa Gyz/GPa 730 709 58.5 0.46 0.2 0.2 434 7.5 7.5
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