Molecular dynamics simulation of the mechanical characteristics of brick structure reinforced with graphene nanosheet

GF Cao and M Rabiei and HM Al-Tamimi and N Nasajpour-Esfahani and R Sabetvand and A Shamshiri and M Hekmatifar and D Toghraie and SK Hadrawi, SOLID STATE COMMUNICATIONS, 361, 115078 (2023).

DOI: 10.1016/j.ssc.2023.115078

This study describes the mechanical behavior of a brick structure by inserting graphene nano-sheet (GNS) into this construction material using the Molecular Dynamics (MD) approach. Technically, we utilized Universal Force Field (UFF) and Tersoff Force Field (TFF), respectively, to simulate ideal brick (pristine brick) and gra-phene structures. The consequence of the equilibrium procedure of atomic structures indicates their suitable physical stability, which emerges from the proper MD simulation settings. Technically, to characterize the me-chanical properties (MP) of pristine brick matrix (PBM) and reinforced brick- graphene (RBG) nanocomposite, some parameters like Stress-Strain (S-S) Curve, Young's modulus (YM), and Ultimate Strength (US) of a pristine compound, and reinforced structure are mentioned. Numerically, by inserting the GNS into the PBM with a 5% atomic ratio, Young's modulus of simulated nanostructure reaches 3379 MPa, and the US of brick increases to 19.14 MPa. These simulation results show the important effect of GNS on the MP of the PBM, which is suitable for construction applications such as cologne arches.

Return to Publications page