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

NIRT：特殊纳米复合材料的界面设计：多尺度建模和表征。C. Brinson，Northwestern UniversityS.K.库马尔湖沙德勒，RPII。Beyerlein，Antonio Redondo，Los Alamos 200字摘要：我们提出了一个综合的实验和理论程序，以表征和模拟碳纳米管（NT）增强聚合物复合材料在从原子到宏观的长度和时间尺度上的力学行为。我们的重点是了解这些材料的变形和失效机制，特别是这些如何受到NT的化学和形态的影响。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。 这些模型将在几个长度/时间尺度上与实验密切相关。一个分层的方法将使我们能够评估不同类型的NT和聚合物之间的化学相互作用和不同类型的NT形态从弹性范围内通过断裂和失效的变形的重要性。这项工作将有助于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，医疗器械和涂料。 这项工作的结果将定义新的耐用，轻质材料，用于从非常小（MEMS和芯片）到非常大（航天器）的结构。更广泛地说，开发的链接长度尺度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.