Molecular dynamics study of the penetration resistance of graphene woven fabrics membrane impacted by nanoparticles

N Mousavi and J Davoodi, COMPUTATIONAL MATERIALS SCIENCE, 214, 111766 (2022).

DOI: 10.1016/j.commatsci.2022.111766

Graphene woven fabrics (GWFs) membrane prepared by two layers of woven graphene nanoribbons is proposed as an efficient barrier material with nanoscale precision under mechanical loading, using molecular dynamics simulation technique. The GWFs membrane can be designed on demand by altering the chirality, nanoribbons width, gap interval between nanoribbons, or hydrogen edge-passivation. For investigating the dynamics of collision, different prepared GWFs membranes are impacted by rigid nanoparticles. The results indicate that the GWFs membrane with a smaller gap between parallel ribbons or membrane with wider ribbons shows more excellent mechanical resistance against high-velocity projectiles than bilayer-graphene (Bi-Gr). Meanwhile, the GWFs membrane with a bigger gap between parallel ribbons or membrane with thinner ribbons has a superior value of the specific penetration energy. Plus, passivating the edge of the ribbons with hydrogen increases the resistance mechanism of membranes with a big interval between parallel ribbons but does not affect the specific penetration energy of the membrane significantly. Also, the outcomes of our simulations demonstrate that the GWF membranes exhibit outstanding energy-absorption capability about 31-35% higher than the Bi-Gr membrane, especially in dealing with the high-velocity projectile in high temperature, defected, or high stressed situations. On the other hand, in the GWFs membranes, cracks are centralized due to their texture structure compared to the Bi-Gr membrane, and consequently, the appeared damage in the GWFs is minor and more controllable than the Bi-Gr in dealing with the larger size of the projectiles. Finaly, our results show the superiority of using GWF membranes over other integrated 2D materials.

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