High-velocity transverse impact of monolayer graphene oxide by a molecular dynamics study

Abstract

2D materials have attracted tremendous attention recently due to their unique characteristic under extreme loading conditions such as impact. Owing to its exceptional mechanical properties and low cost of processing, graphene oxide (GO), which is a 2D amorphous material, has been widely utilized as a nanocomposite building block under such loading conditions. To date, extensive researches have been conducted to unravel the chemistry-dependent mechanical properties of GO. Nonetheless, high-velocity impact characterization of single-layer GO received less attention. Therefore, the aforementioned problem is investigated using ReaxFF molecular dynamics simulations in this work. Accordingly, the penetration-resistance of single-layer GO with different oxidation levels under nano-projectile impact is assessed. It is found that (a) as oxidation level increases the onset of complete perforation velocity decreases, (b) penetration-resistance is influenced by hydroxyl-to-epoxide ratio for a fixed oxidation level, and (c) spatial distribution of oxygen functional groups alters the perforation-resistance of a monolayer for the same oxidation level. The findings of this study may provide some insights into the design of surface coatings and novel protective barriers in which GO is used as reinforcement nanofillers.