Multiscale modeling of process-induced residual deformation on carbon-fiber-reinforced plastic laminate from quantum calculation to laminate scale finite-element analysis
Multiscale modeling of process-induced residual deformation on carbon-fiber-reinforced plastic laminate from quantum calculation to laminate scale finite-element analysis
复制标题
碳纤维增强塑料层合板工艺残余变形的多尺度模拟--从量子计算到层合板尺度有限元分析
DOI：
10.1016/j.mechmat.2022.104332
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发表时间：
2022-05-06
影响因子：
3.9
通讯作者：
Okabe, Tomonaga
中科院分区：
文献类型：
--
作者：
Kawagoe, Yoshiaki;Kawai, Kenji;Okabe, Tomonaga
多尺度建模方法得以开发，该方法涵盖量子化学反应路径计算、固化分子动力学（MD）模拟、微观有限元分析（FEA）以及宏观有限元分析，旨在预测碳纤维增强塑料（CFRP）层压板在制造过程中产生的变形。在此方法中，借助与量子计算相结合的MD模拟，对基体热固性树脂的热机械性能、因固化反应导致的体积收缩以及凝胶点进行评估。随后，利用MD模拟结果，通过微观有限元分析来评估单向（UD）层板的均质正交各向异性材料特性和固化收缩应变。最后，考虑材料和几何非线性，通过宏观有限元分析预测交叉铺层层压板因固化和热收缩而产生的工艺诱导变形，其中层压板的每一层都利用微观有限元分析结果建模为均质正交各向异性体。使用所开发的多尺度建模所做的预测，在最大变形以及随试件尺寸变化的形状转变方面，与制造实验结果吻合良好。此外，还在各个尺度上详细研究了基体树脂的选择对工艺诱导行为（如基体中的纳米空洞形核、残余应力和变形）的影响。本文所呈现的结果为高性能复合材料结构的开发以及稳定制造提供了重要知识。
Multiscale modeling, comprising quantum-chemical reaction path calculation, curing molecular dynamics (MD) simulation, microscopic finite-element analysis (FEA), and macroscopic FEA, was developed to predict the manufacturing-process-induced deformation of carbon-fiber-reinforced plastic (CFRP) laminates. In this approach, the thermomechanical properties, volumetric shrinkage due to the curing reaction, and gelation point of the matrix thermoset resin were evaluated using MD simulations coupled with quantum calculations. Homogenized orthotropic material properties and the cure-shrinkage strain of unidirectional (UD) lamina were then evaluated by microscopic FEA using the results of the MD simulations. Finally, process-induced deformation of the cross-ply laminate due to curing and thermal shrinkage was predicted by macroscopic FEA considering material and geometric nonlinearities, in which each layer of the laminate was modeled as a homogenized orthotropic body using the results of the microscopic FEA. The predictions made using the developed multiscale modeling agreed well with the results of the fabrication experiments in terms of the maximum deformation and the shape transition depending on the specimen dimensions. In addition, effects of the selection of matrix resin on process-induced behaviors, such as nanovoid nucleation in the matrix, residual stress, and deformation were investigated at each scale in detail. The results presented here provide important knowledge regarding the development of high-performance composite structures and for stable manufacturing.