Mechanical Engineering Commons^™

Studying The Effects Of Initial Crack Angle On The Crack Propagation In Graphene Nano-Ribbon Through Molecular Dynamics Simulations, Vijay Kumar Pathak

Dissertations, Master's Theses and Master's Reports

In this research, we have worked on the brittle fracture of graphene nano-ribbon to explore the behavior of crack propagation at different crack angles. We have performed classical Molecular Dynamics simulations using LAMMPS at ten different crack angles between 0 degrees and 45 degrees, in an increment of 5 degrees to observe the parameters that dominate the crack path. The graphene nanoribbon is loaded in the zigzag direction by pulling it in the armchair direction with a pre-existing crack in the center. We have used OVITO for the visualization of the simulation. AIREBO potential is employed in this work because …