二氰金酸锌的大弹性回复
Large elastic recovery of zinc dicyanoaurate
摘要：
我们报告的“巨人”负压缩性材料锌（II）二氰金酸盐的机械性能，确定使用单晶纳米压痕测量和\emph{ab initio}密度泛函理论计算的组合。虽然二氰基金酸锌的弹性响应被发现是中间的致密和开放的框架结构的行为，我们发现该材料表现出特别强的弹性恢复，这是有利的一系列的实际应用。我们将这种反应归因于超分子螺旋的存在，其功能为原子尺度的弹簧，在压缩应力期间储存机械能，从而抑制塑性形变。我们的结果与[Cheng \& Cheng，\textit{Appl. Phys. Lett.}，1998，{ \textbf{73} }，614]中指出的弹性恢复的大小与材料硬度与杨氏模量之比之间的关系是一致的。与其他金属-有机框架含有螺旋结构图案的比较，我们建议螺旋作为一个有吸引力的超分子图案赋予抵抗塑性形变的功能材料的设计。
英文摘要：
We report the mechanical properties of the `giant' negative compressibility material zinc(II) dicyanoaurate, as determined using a combination of single-crystal nanoindentation measurements and \emph{ab initio} density functional theory calculations. While the elastic response of zinc dicyanoaurate is found to be intermediate to the behaviour of dense and open framework structures, we discover the material to exhibit a particularly strong elastic recovery, which is advantageous for a range of practical applications. We attribute this response to the existence of supramolecular helices that function as atomic-scale springs, storing mechanical energy during compressive stress and hence inhibiting plastic deformation. Our results are consistent with the relationship noted in [Cheng \& Cheng, \textit{Appl. Phys. Lett.}, 1998, {\textbf{73}}, 614] between the magnitude of elastic recovery, on the one hand, and the ratio of material hardness to Young's modulus, on the other hand. Drawing on comparisons with other metal--organic frameworks containing helical structure motifs, we suggest helices as an attractive supramolecular motif for imparting resistance to plastic deformation in the design of functional materials.
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