Dynamics of dislocation dipoles in graphene at high temperatures

• Published in: Diamond and related materials 2024-03, Vol.143, p.110896, Article 110896
• Main Authors: Galiakhmetova, L.Kh, Safina, L.R., Murzaev, R.T., Baimova, J.A.
• Format: Article
• Language: English
• Subjects: Defects; Dislocations; Graphene; Molecular dynamics
• ISSN: 0925-9635; 1879-0062
• DOI: 10.1016/j.diamond.2024.110896

Defects in two-dimensional structures as graphene can considerably affect their mechanical and physical properties. Therefore, a systematic study of the time evolution of the defect dynamics in graphene is of high importance. The dynamics of edge dislocation dipoles in planar graphene at high temperatures have been studied by means of molecular dynamics simulation. Different dislocation motion scenarios for dislocation dipoles with arm length from 0 to 30 Å are revealed. Among such dislocation dipoles are Stone–Wales defect, where dislocations are strongly interacting in a dipole. The processes of annihilation of dislocations in dipole depending on the arm length and temperature are discussed. It is found that for dislocation dipoles with arm length l>16 Å annihilation can easily occur at high temperatures. The present work provides a detailed description of dislocation motion at high temperatures. [Display omitted] •The dynamics of the dislocation dipoles at high temperatures is studied by molecular dynamics.•Basic algorithms of the dislocation movement are revealed and de- scribed.•It is shown that temperature can facilitate dislocation movement, but only for dipoles with small dipole arms.