Towards understanding the bulk material response in nanocomposites, an interfacial zone model was proposed to define a variety of material interface behaviors (e.g. brittle, ductile, rubber-like, elastic-perfectly plastic behavior etc.). It also has the capability to predict bulk material response though independently control of the interface properties (e.g. stiffness, strength, toughness). The mechanical response of granular nanocomposite (i.e. nacre) was investigated through modeling the "relatively soft" organic interface as an interfacial zone among "hard" mineral tablets and simulation results were compared with experimental measurements of stress-strain curves in tension and compression tests. Through modeling varies material interfaces, we found out that the bulk material response of granular nanocomposite was regulated by the interfacial behaviors. This interfacial zone model provides a possible numerical tool for qualitatively understanding of structure-property relationships through material interface design.

中文翻译：

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纳米复合材料界面行为的计算建模

为了理解纳米复合材料中的大块材料响应，提出了一种界面区模型来定义各种材料界面行为（例如脆性、延展性、橡胶状、弹性-完美塑性行为等）。它还具有通过独立控制界面特性（例如刚度、强度、韧性）来预测散装材料响应的能力。通过将“相对软”的有机界面建模为“硬”矿物片之间的界面区域，研究了颗粒纳米复合材料（即珍珠层）的机械响应，并将模拟结果与拉伸和压缩试验中应力-应变曲线的实验测量值进行了比较。通过建模不同的材料界面，我们发现颗粒纳米复合材料的块状材料响应受界面行为的调节。该界面区模型为通过材料界面设计定性理解结构-性能关系提供了一种可能的数值工具。