On the Molecular to Continuum Modeling of Fiber‐Reinforced Composites,Advanced Theory and Simulations

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On the Molecular to Continuum Modeling of Fiber‐Reinforced Composites
Advanced Theory and Simulations ( IF 2.9 ) Pub Date : 2020-01-23 , DOI: 10.1002/adts.201900211
Ameya Rege ₁ , Sandeep P. Patil ₂

Affiliation

A multiscale approach to model fiber‐reinforced composites, those that are characterized by an isotropic orientation of fibers, is presented. To this end, a bottom‐up approach is used to formulate a hierarchical model. The primary basis for the mesoscopic description revolves around the assumption that the composite network consists of fibers resting on foundations of the native material matrix. Molecular dynamics (MD) simulations of such fibers on foundations are performed, and crucial material parameters, such as the stiffness of the particle matrix and Young's modulus of the fibers are evaluated. Subsequently, a micro‐mechanical constitutive model is formulated, wherein fiber‐reinforced composites are characterized by a homogeneous distribution and an isotropic orientation of fibers. The fibers are modeled as beams undergoing bending and stretching while resting on Winkler‐type of elastic foundations. The 3D macroscopic network behavior is finally presented. As an example, the particle matrix used is a silica aerogel and the fibers are modeled as double‐walled carbon nanotubes. In the proposed modeling approach, MD simulations are shown to provide a physical estimation of the micro‐mechanical model parameters.

中文翻译：

纤维增强复合材料的分子到连续体建模

提出了一种多尺度模拟纤维增强复合材料的方法，这些方法的特征是纤维的各向同性取向。为此，使用了自下而上的方法来制定层次模型。介观描述的主要依据围绕以下假设：复合网络由搁置在天然材料基质基础上的纤维组成。在基础上对此类纤维进行了分子动力学（MD）模拟，并评估了关键的材料参数，例如颗粒基质的刚度和纤维的杨氏模量。随后，建立了微机械本构模型，其中纤维增强复合材料的特征在于纤维的均匀分布和各向同性取向。纤维被建模为梁受Winkler型弹性基础的作用而经受弯曲和拉伸。最后介绍了3D宏观网络行为。例如，使用的颗粒基质是二氧化硅气凝胶，纤维被模拟为双壁碳纳米管。在提出的建模方法中，显示了MD仿真可以提供对微机械模型参数的物理估计。

更新日期：2020-03-04

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