WMG, University of Warwick, Coventry, CV4 7AL, United Kingdom.
Nanotechnology. 2019 Nov 8;30(45):455702. doi: 10.1088/1361-6528/ab36d6. Epub 2019 Jul 30.
There are remarkable studies geared towards developing mechanical analysis of nanoporous structures, while the size effect has been a major concern so far to improve strength or deformability. In this study, molecular dynamics simulations are utilized to study the pore shape effect on the mechanical behaviour of nanoporous silicon with circular, elliptical, square and hexagonal pore shapes. The influence of pore configuration on load transfer capabilities is studied for nanoporous silicon. A distinguished set of mechanical properties is observed on silicon with a hexagonal pore shape-resembling a honeycomb structure-with a high tensile strength and toughness. The study exhibits an improvement in the ductility through unique stress transformation in the hexagonal pore shape. In addition to the relative density, the potential to control the mechanical properties is demonstrated through the hexagon angle. Finally, a scaling law is developed for the mechanical behaviour of honeycomb nanoporous silicon. In addition to their outstanding mechanical properties, the work provides further insight into the capability of nanoporous structures in sensing applications due to their high surface-to-volume ratios.
有许多针对开发纳米多孔结构的力学分析的显著研究,而到目前为止,尺寸效应一直是提高强度或可变形性的主要关注点。在这项研究中,利用分子动力学模拟研究了具有圆形、椭圆形、方形和六边形孔形状的纳米多孔硅的孔形状对力学行为的影响。研究了纳米多孔硅中孔结构对载荷传递能力的影响。具有六边形孔形状(类似于蜂窝结构)的硅表现出一系列独特的力学性能,具有较高的拉伸强度和韧性。通过六边形孔形状中的独特应力转化,观察到延展性的提高。除了相对密度之外,还通过六边形角度展示了控制力学性能的潜力。最后,提出了蜂窝状纳米多孔硅力学行为的标度律。除了其出色的力学性能外,由于其高的表面积与体积比,这项工作还进一步深入了解了纳米多孔结构在传感应用中的能力。