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Molecular dynamics simulations of silica aerogel nanocomposites reinforced by glass fibers, graphene sheets and carbon nanotubes: A comparison study on mechanical properties
Composites Part B: Engineering ( IF 12.7 ) Pub Date : 2020-02-29 , DOI: 10.1016/j.compositesb.2020.107884
Sandeep P. Patil , Parag Shendye , Bernd Markert

Silica aerogel is a brittle as well as a low-tensile strength highly porous solid. Therefore, the primary goal of the present work is to incorporate glass fibers, graphene sheets and carbon nanotubes into the silica aerogel matrix using molecular dynamics (MD) simulations to improve not only the mechanical properties, e. g., tensile strength, elastic modulus, and toughness, but also the deformation characteristics due to the pre-existing cracks. This work investigates and compares the mechanical properties obtained from tension and compression tests of native silica aerogels and their nanocomposites. The results show that the axial and lateral direction mechanical properties of carbon-based nanocomposites are significantly higher than the native and glass fibers reinforced silica aerogels. For example, in the axial loading, the elastic modulus of the proposed glass fibers, graphene sheets, and carbon nanotubes reinforced nanocomposites were 3.5, 9.5 and 11.5 times higher than the native silica aerogels, respectively. Moreover, the influence of crack depth has been studied in the tensile fracture simulations, and we found that in nanocomposites, the tensile load bearing candidates are mainly reinforced materials. The outcome of this work is a vital step in the process of designing advanced nanocomposites.



中文翻译:

玻璃纤维,石墨烯片和碳纳米管增强的二氧化硅气凝胶纳米复合材料的分子动力学模拟:力学性能的比较研究

二氧化硅气凝胶是一种脆性以及低拉伸强度的高多孔性固体。因此,本发明的主要目的是使用分子动力学(MD)模拟将玻璃纤维,石墨烯片和碳纳米管掺入二氧化硅气凝胶基体中,以不仅改善机械性能,例如改善机械性能。例如,抗张强度,弹性模量和韧性,以及由于预先存在的裂纹而引起的变形特性。这项工作调查和比较了从天然二氧化硅气凝胶及其纳米复合材料的拉伸和压缩测试中获得的机械性能。结果表明,碳基纳米复合材料的轴向和横向力学性能明显高于天然和玻璃纤维增​​强的二氧化硅气凝胶。例如,在轴向载荷下 3.5, 9.5和 分别比天然二氧化硅气凝胶高11.5倍。此外,在拉伸断裂模拟中研究了裂纹深度的影响,我们发现在纳米复合材料中,承受拉伸载荷的候选材料主要是增强材料。这项工作的结果是设计先进纳米复合材料过程中至关重要的一步。

更新日期:2020-03-02
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