Effects of pore design on mechanical properties of nanoporous silicon

Nanoporous silicon has been emerging as a powerful building block for next-generation sensors, catalysts, transistors, and tissue scaffolds. The capability to design novel devices with desired mechanical properties is paramount to their reliability and serviceability. In order to bring further resolution to the highly variable mechanical characteristics of nanoporous silicon, here we perform molecular dynamics simulations to study the effects of ligament thickness, relative density, and pore geometry/orientation on the mechanical properties of nanoporous silicon, thereby determining its Young's modulus, ultimate strength, and toughness as well as the scaling laws versus the features of interior ligaments. Results show that pore shape and pattern dictate stress accumulation inside the designed structure, leading to the corresponding failure signature, such as stretching-dominated, bending-dominated, or stochastic failure signatures, in nanoporous silicon. The nanostructure of the material is also seen to drive or mute size effects such as “smaller is stronger” and “smaller is ductile”. This investigation provides useful insight into the behavior of nanoporous silicon and how one might leverage its promising applications.