• 专利标题:   Tersoff force-based graphene-coarse granulation method, involves adjusting related parameters according to stress-strain curve of single-axis stretching to obtain potential function parameter of multi-stage coarse-graining model.
  • 专利号:   CN111081323-A
  • 发明人:   TAN H, ZHAO Y, WANG C, LIAN Y, WU F
  • 专利权人:   HARBIN INST TECHNOLOGY
  • 国际专利分类:   G16C010/00, G16C020/70, G16C060/00
  • 专利详细信息:   CN111081323-A 28 Apr 2020 G16C-060/00 202040 Pages: 7 Chinese
  • 申请详细信息:   CN111081323-A CN11319827 19 Dec 2019
  • 优先权号:   CN11319827

▎ 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).