Molecularly Intercalated Nanoflakes: A Supramolecular Alloy for Strong Energy Absorption

这项拨款为研究提供资金，使超分子合成合金的制造成为可能，这种合金将积极发挥能量吸收材料的作用。超分子合金是由两个或两个以上的功能分子共同组装而成。通过对共装配过程的调整，可以使合金具有独特的结构和力学性能。计划中的实验包括小分子的插层（插入）研究，以重新配置超分子以获得所需的性能。还将评估所得材料对外部能量输入（负载和热量）的机械响应。分子动力学建模将用于揭示结构和界面参数对能量吸收的影响，从而使材料设计成为可能。该项目将专注于二维结构的微调，调节构建块之间的相互作用，以及对相关微观变形机制的精确探测。这项研究的结果将导致对高度有序聚合物或超分子的机械性能的深入了解。这些材料既可以用作单独的薄涂层，以保护结构/性能免受动态载荷的影响，也可以用作传统聚合物复合材料的界面韧性/强度促进剂。此外，轻量化金属合金的设计和制造对于具有严格重量或加工要求的气动结构和聚合物复合材料是有利的。

This grant provides funding for research that will enable the manufacture of supramolecular synthetic alloys which will actively function as energy absorbent materials. Supramolecular alloys are a co-assembly of two or more functional molecules. Regulation of the co-assembly can afford the final alloys unique structural and mechanical properties. Planned experiments include the investigation of the intercalation (insertion) of small molecules to reconfigure the supramolecules for the desired properties. The evaluation of the mechanical response of the resulting materials to external energy input (load and heat) will also be performed. Molecular dynamics modeling will be used to reveal the influence of structure and interface parameters on energy absorption thus enabling material design. The project will focus on the fine-tuning of the 2D structures, regulating the interactions among the building blocks, as well as the accurate probing of the associated microscopic deformation mechanisms.The results of this research will lead to an in-depth understanding of the mechanical properties of highly ordered polymers or supramolecules. These materials could be used either as a stand-alone thin coating for structure/performance protection against dynamic loads or as an interface toughness/strength promoter in conventional polymer composites. In addition, design and manufacturing of a lightweight counterpart to metal alloys is advantageous to aerodynamic structures and polymer composites having stringent weight or processing requirements.