A bottom-up multi-scale modeling approach is used to develop an Integrated Computational Materials Engineering (ICME) framework for carbon fiber reinforced polymer (CFRP) composites, which has the potential to reduce development to deployment lead time for structural applications in lightweight vehicles. In this work, we develop and integrate computational models comprising of four size scales to fully describe and characterize three types of CFRP composites. In detail, the properties of the interphase region are determined by an analytical gradient model and molecular dynamics analysis at the nano-scale, which is then incorporated into micro-scale unidirectional (UD) representative volume element (RVE) models to characterize the failure strengths and envelopes of UD CFRP composites. Then, the results are leveraged to propose an elasto-plastic-damage constitutive law for UD composites to study the fiber tows of woven composites as well as the chips of sheet molding compound (SMC) composites. Subsequently, the failure mechanisms and failure strengths of woven and SMC composites are predicted by the meso-scale RVE models. Finally, building upon the models and results from lower scales, we show that a homogenized macro-scale model can capture the mechanical performance of a hat-section-shaped part under four-point bending. Along with the model integration, we will also demonstrate that the computational results are in good agreement with experiments conducted at different scales. The present study illustrates the potential and significance of integrated multi-scale computational modeling tools that can virtually evaluate the performance of CFRP composites and provide design guidance for CFRP composites used in structural applications.

中文翻译：

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用于分析轻量化汽车应用碳纤维增强聚合物复合材料失效行为的综合计算材料工程框架

自下而上的多尺度建模方法用于开发碳纤维增强聚合物 (CFRP) 复合材料的集成计算材料工程 (ICME) 框架，该框架有可能减少轻型车辆结构应用的开发到部署时间。在这项工作中，我们开发并整合了由四个尺寸尺度组成的计算模型，以全面描述和表征三种类型的 CFRP 复合材料。详细地说，界面区域的特性由纳米级的解析梯度模型和分子动力学分析确定，然后将其合并到微米级单向（UD）代表体积元（RVE）模型中以表征破坏强度和 UD CFRP 复合材料的外壳。然后，利用该结果提出了 UD 复合材料的弹塑性损伤本构定律，以研究编织复合材料的纤维束以及片状模塑料 (SMC) 复合材料的碎片。随后，通过中尺度 RVE 模型预测了编织和 SMC 复合材料的失效机制和失效强度。最后，基于模型和较低尺度的结果，我们表明均质化的宏观尺度模型可以捕捉四点弯曲下帽形截面形状零件的机械性能。除了模型集成，我们还将证明计算结果与在不同尺度上进行的实验非常吻合。