On the oblique collision of gaseous molecules with graphene nanosheets

Abstract

In this paper, normal and tangential coefficients of restitution for gaseous molecules colliding with layerwise (single and few layers) graphene nanosheets were calculated using non-equilibrium molecular dynamics method. The normal and tangential coefficients of restitution depend on impact angle, velocity and landing position of projectiles. These parameters were evaluated computationally by implementation of several operations. Some differences were observed between proposed problem and macro-scale nature. The most notable difference was proportionality between the restitution coefficients and impact velocity, while in the case of macro-scale systems, they have inverse relation. Number of layers of graphene substrate does not contribute significantly to the normal and tangential coefficients of restitution. On the other hand, except for hydrogen, where its normal coefficient of restitution is approximately unity, the normal coefficient of restitution for other gasses increases as impact angle increases. Furthermore, tangential coefficients of restitution reduce with impact angle. These results can offer additional insights for further understanding the impact mechanisms and bombardment-related phenomena in lowdimensional materials. Presented results could be utilised to optimise some applied operations such as porosity generation via bombardment of layered nanostructures, gas detection process, thermal management and pressure sensor applications.

Impact dynamics of metallic nano particles in collision with graphene nano sheets

“…This is the main idea for gas storage. Bombardment of graphene sheets by several gaseous molecules [15] and especially oxygen [4] was studied to control defect generation [16]. Furthermore, some recent works focused on mass detection of metallic nanoparticles [17].…”

“…Figure15. Ruptured structure of a two-layer graphene sheet before being impacted by a relatively rigid nanocluster, after passing the rst layer, after passing the second layer, and after getting far away from the graphene sheet.…”

Benchmarking the penetration-resistance efficiency of multilayer graphene sheets due to spacing the graphene layers

“…Comparisons demonstrated that graphenebased plate has considerably more resistance against the projectile than metal micro plates. The withstanding ratio of graphene with respect to the steel, gold, and aluminum plates with five layers of atoms is reported between 0.5 and 6.5 for single-to twenty-layer graphene sheets [19]. The middle and the rightmost schematics in Fig.…”

Bonding few-layered graphene via collision with high-speed fullerenes

“…Using molecular dynamics (MD) method, Abdol et al [32] built a three-dimensional graphene networks via silicon ion beam irradiation. In a series reports by Sadeghzadeh [34,[39][40][41][42] , the graphene sheets were impacted with various kinds of high speed projectiles, and the effects of several parameters on the rupture form and penetration-resistance efficiency of the graphene ribbons were evaluated systematically. In the experiments by Eller et al [43] , few layered graphene were bombarded with golden nanoparticles, and the ejection of ions from graphene were characterized.…”