▎ 摘 要
NOVELTY - The method involves adjusting an original Tersoff potential function parameter. A primary coarse graining graphene model Tersoff potential function is searched. Secondary coarsegraining graphene model Tersoff potential function is searched. Parameter adjustment is performed to correct simulation precision according to a graphene hexagonal grid structure. Related parameters are adjusted according to a stress-strain curve of single-axis stretching to obtain a potential function parameter of a multi-stage coarse-graining model. Parameter changes are detected caused by a drawing result. USE - Tersoff force-based graphene-coarse granulation method. ADVANTAGE - The method enables reducing computational problem of a large scale graphene structure, realizing parameter calculation in a simple manner with rapid and calculation precision. The method enables avoiding complicated theoretical knowledge and mathematical derivation so as to satisfy large engineering calculation requirements, and realizing multi-stage coarse-graining simulation calculation by selecting the potential function parameter for graphene material so as to reduce calculation cost, optimize calculation efficiency. DESCRIPTION OF DRAWING(S) - The drawing shows a schematic view of a multi-stage coarse-graining model. (Drawing includes non-English language text).