Nanodroplets Behavior on Graphdiyne Membranes

TL;DR

This study uses atomistic molecular dynamics simulations to explore how water nanodroplets impact and behave on porous, elastic graphdiyne membranes at various velocities, revealing complex spreading and percolation phenomena.

Contribution

It provides new insights into the impact dynamics of nanodroplets on graphdiyne, highlighting differences from graphene and the effects of impact velocity on droplet behavior.

Findings

Droplets spread with contact radius proportional to impact velocity.

Water molecules can pass through nanopores depending on impact energy.

Impact velocity influences splashing patterns and droplet shape preservation.

Abstract

In this work we have investigated, by fully atomistic reactive (force field ReaxFF) molecular dynamics simulations, some aspects of impact dynamics of water nanodroplets on graphdiyne-like membranes. We simulated graphdiyne-supported membranes impacted by nanodroplets at different velocities (from 100 up to 1500 m/s). The results show that due to the graphdiyne porous and elastic structure, the droplets present an impact dynamics very complex in relation to the ones observed for graphene membranes. Under impact the droplets spread over the surface with a maximum contact radius proportional to the impact velocity. Depending on the energy impact value, a number of water molecules were able to percolate (pass through) the nanopore sheets. However, even in these cases the droplet shape (liquid state) is preserved and the main differences between the different impact velocities cases reside on the splashing pattern at the maximum spreading.