NIRT: Interphase Design for Extraordinary Nanocomposites: Multiscale Modeling and Characterization

超常纳米复合材料的界面设计：多尺度建模和表征。C.布林森，美国西北大学库马尔，L. Schadler， RPII。摘要：我们提出了一个综合的实验和理论方案来表征和模拟碳纳米管（NT）增强聚合物复合材料从原子到宏观的跨越长度和时间尺度的力学行为。我们的重点是了解这些材料的变形和破坏机制，特别是这些材料是如何受到纳米碳管的化学和形态的影响的。我们将结合分子尺度模型、粗粒化、微观力学和连续介质力学来解决这些问题。这些模型将与若干长度/时间尺度上的实验紧密结合。分层方法将使我们能够评估NT与聚合物之间不同类型的化学相互作用的重要性，以及不同类型的NT形态对从弹性范围到断裂和破坏的变形的重要性。这项工作将有助于总体上指导纳米复合材料的设计和开发。具有设计性能的纳米复合材料的应用是深远的，包括航空航天结构，医疗设备和涂料。这项工作的结果将定义新的耐用，轻质材料，用于从非常小的结构（MEMS和芯片）到非常大的结构（航天器）。更广泛地说，为链接长度尺度而开发的技术将适用于广泛的材料建模。

NIRT: INTERPHASE DESIGN FOR EXTRAORDINARY NANOCOMPOSITES: MULTISCALE MODELING AND CHARACTERIZATIONL. C. Brinson, Northwestern UniversityS.K. Kumar, L. Schadler, RPII. Beyerlein, Antonio Redondo, Los Alamos200 word abstract:We propose an integrated experimental and theoretical program to characterize and model the mechanical behavior of carbon nanotube (NT) reinforced polymer composites across length and time scales spanning from the atomic to macroscopic. Our focus is to understand the deformation and failure mechanism in these materials and specifically how those are impacted by the chemistry and morphology of the NTs. We will intertwine molecular scale models, coarse graining, micromechanics and continuum mechanics to address these issues. The models will be closely coupled to experiments at several length/time scales. A hierarchical approach will allow us to assess the importance of different types of chemical interactions between NT and polymer and different types of NT morphologies on deformation from the elastic range through fracture and failure. This work will help guide the design and development of nanocomposites in general. Applications of nano-composites with designer properties are far-reaching, including aerospace structures, medical devices, and coatings. Results from this work will define new durable, lightweight materials for use in structures from the very small (MEMS and chips) to the very large (spacecraft). Even more broadly, the techniques that are developed to link length scales will be applicable across a broad range of materials modeling.