Molecular dynamics simulations to understand the mechanical behavior of functional gradient nano-gyroid structures
Molecular dynamics simulations to understand the mechanical behavior of functional gradient nano-gyroid structures
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DOI：
10.1063/5.0102297
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发表时间：
2022-10
影响因子：
3.2
通讯作者：
Rui Dai;Dawei Li;Wenhe Liao;Haofan Sun;Yunlong Tang;Qiong Nian
中科院分区：
文献类型：
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作者：
Rui Dai;Dawei Li;Wenhe Liao;Haofan Sun;Yunlong Tang;Qiong Nian
螺旋体结构是一种受自然界启发的细胞结构，由于其结构连续、受压时应力分布均匀、变形时倒塌机制稳定等优点，近年来受到广泛的研究。然而，当与功能梯度相结合时，Gyroid结构可以执行与其均匀对应物大不相同的力学行为。本文采用自下而上的计算建模方法，研究了由铜（Cu）制成的功能梯度纳米螺旋结构的力学行为。我们的工作表明，它的机械性能退化的密度是比那些均匀的螺旋结构慢得多。功能梯度螺旋结构的屈服强度[公式：见文本]与相对密度[公式：见文本]的比例系数为1.5。此外，逐层塌陷机制产生显著更好的机械能吸收能力。该研究不仅有助于深入理解非均匀螺旋结构的变形机理，而且对功能梯度多孔材料的发展具有重要意义。
Gyroid structure, a nature inspired cellular architecture, is under extensive exploration recently due to its structure continuity, uniform stress distribution under compression, and stable collapse mechanism during deformation. However, when combining with a functional gradient, the Gyroid structure can perform much different mechanical behavior from its homogeneous counterpart. Herein, bottom-up computational modeling is performed to investigate the mechanics of functional gradient nano-gyroid structure made of copper (Cu). Our work reveals that its mechanical properties degrade with a density that is much slower than those of homogeneous gyroid structure. The scaling of yield strength [Formula: see text] to the relative density [Formula: see text] for the functional gradient gyroid structure is in the factor of 1.5. Moreover, the layer-by-layer collapsing mechanism yields significantly better mechanical energy absorption ability. This study not only leads to insightful understanding of the deformation mechanisms in nonuniform gyroid structures but also promotes the development of the functional gradient cellular materials.