A new design of Borax-Cannabinol nanomaterial used to strengthen concrete structures: Non-Scc-GFN1xTB model*

The aim of this study is to investigate the effect of cannabinol addition to borax, one of the raw materials of glass, on stress-strain behavior. For this purpose, the tight-binding approach of density functional theory was applied to detect the stress-strain behavior of nanosized a new borax-cannabinol model system with the molecular dynamics (MD) process. This process was investigated by extended density functional based tight-binding without self-consistent charge (NonSCC-GFN1-xTB), which is an effective approach to ensure high-accuracy simulation calculations. The features of the Non-Scc-GFN1xTB model, which has base functions and experimental potential parameters for covalent and non-covalent interactions, and can make molecular models of large systems, are highlighted. The results show that the addition of cannabinol to borax causes an extra resistant against the formation of permanent plastic deformation. This resistance can enable to increase the durability used to design the strengthened of materials including adding borax-cannabinol. The MD results show that the addition of cannabinol to borax crystal cause to formation of borax-cannabinol in a nanorod structure. This nanorod composite structure is considered as material that can be used to strengthen concrete structure because the plastic deformation of structure under stress begins at high strain zone.