论文标题

钻石割锡岩的机械性能:从原子模型到3D打印结构

Mechanical Properties of a Diamond Schwarzite: From Atomistic Models to 3D-Printed Structures

论文作者

Felix, Levi C., Gaal, Vladimir, Woellner, Cristiano F., Rodrigues, Varlei, Galvao, Douglas S.

论文摘要

在周期性边界条件的限制下,三重周期性的最小表面(TPM)具有局部最小化的表面积。以不同的拓扑结构获得了不同的表面家族,满足了此类条件。此类家庭的例子包括原始(P),能型(G)和钻石(D)表面。从纯粹的数学主题中,最近在材料科学中发现了TPM作为结构应用的最佳几何形状。 Schwarzites由Mackay和Terrones提出,是3D晶体的多孔碳纳米晶体,表现出TPM的形状。尽管它们的复杂拓扑构成了与常规纳米级制造方法合成的严重限制,例如化学蒸气沉积(CVD),但可以通过加成制造技术(AM)技术(例如3D打印)来制造TPMS。在这项工作中,我们使用了从D家族(D8BAL)的schwarzite结构的优化原子模型来生成一个表面网,该网格随后通过融合沉积建模(FDM)用于3D打印。该D schwarzite用热塑性聚合物(PLA)聚合物丝3D打印。研究了原子模型和3D打印的单轴压缩下的机械性能。还进行了完全原子分子动力学(MD)模拟,以研究D8BAL原子模型的单轴压缩行为。机械测试是在3D打印的Schwarzite上进行的,其中发现变形机制与MD模拟中观察到的变形机制相似。这些结果暗示了与结构拓扑主导的无关机械行为。

Triply Periodic Minimal Surfaces (TPMS) possess locally minimized surface area under the constraint of periodic boundary conditions. Different families of surfaces were obtained with different topologies satisfying such conditions. Examples of such families include Primitive (P), Gyroid (G) and Diamond (D) surfaces. From a purely mathematical subject, TPMS have been recently found in materials science as optimal geometries for structural applications. Proposed by Mackay and Terrones in 1991, schwarzites are 3D crystalline porous carbon nanocrystals exhibiting the shape of TPMS. Although their complex topology poses serious limitations on their synthesis with conventional nanoscale fabrication methods, such as Chemical Vapour Deposition (CVD), TPMS can be fabricated by Additive Manufacturing (AM) techniques, such as 3D Printing. In this work, we used an optimized atomic model of a schwarzite structure from the D family (D8bal) to generate a surface mesh that was subsequently used for 3D-printing through Fused Deposition Modelling (FDM). This D schwarzite was 3D-printed with thermoplastic PolyLactic Acid (PLA) polymer filaments. Mechanical properties under uniaxial compression were investigated for both the atomic model and the 3D-printed one. Fully atomistic Molecular Dynamics (MD) simulations were also carried out to investigate the uniaxial compression behavior of the D8bal atomic model. Mechanical testings were performed on the 3D-printed schwarzite where the deformation mechanisms were found to be similar to those observed in MD simulations. These results are suggestive of a scale-independent mechanical behavior that is dominated by structural topology.

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