Nanomeghyas

Nanomeghyas

Conditions of occurrence of wetting transparency of graphene nano-coatings in Cu-Graphene system

Document Type : Original Article

Authors
Fatemeh Ebrahimi
aref pishevar
University of Birjand
Abstract
In this research, two-dimensional graphene nanostructure as a coating and copper with 111 crystal orientation as a substrate were simulated. All simulations were performed by molecular dynamics using LAMMPS software. Simulation results on systems with different number of molecules Water droplets show that for nanoparticles consisting of 4000 molecules and above, the contact angle is independent of the nanoparticle size. Therefore, nanoparticles consisting of 4000 molecules were used. In order to investigate the role of the substrate on the occurrence and persistence of graphene wetting transparency, we changed the interaction power of copper atoms with water molecules and investigated the state of graphene wettability transparency in each case. The results showed the occurrence of graphene wetting transparency in all cases. In the final part, simulations were performed for graphene pair nanorods. The interaction strength of each of layers 1 and 2 with water molecules in different states was investigated in three states of equal interaction, strong on weak and weak on strong. . The sum of the results showed that the interaction strength of the upper coating has a more prominent role on the wettability of the system compared to the lower coating.
Keywords
wetting and contact angle
wetting transparency
molecular dynamics
nano-coating. graphene
hydrophilicity and hydrophobicity
 
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  • Receive Date 10 August 2021
  • Revise Date 08 October 2021
  • Accept Date 27 October 2021