Fizika Nizkikh Temperatur: Volume 44, Number 9 (September 2018), p. 1171-1179 ( to contents , go back )
Disclination ensembles in graphene
М.А. Rozhkov1, А.L. Kolesnikova1,2, I.S. Yasnikov3, and А.Е. Romanov1
1ITMO University, 49 Kronverkskiy Pr., St. Petersburg 197101, Russia
2Institute of Problems of Mechanical Engineering RAS, 61 Bolshoj Pr., Vas. Ostrov, St. Petersburg 199178, Russia
3Togliatti State University, 14 Belorusskaya Str., Togliatti, 445020, Russia
Received 10 April, 2018, published online July 26, 2018
We consider graphene disclination networks (DNs) — periodic distributions of disclination defects. Disclinations manifest themselves as 4-, 5-, 7- or 8-member carbon rings in otherwise 6-member ring ideal 2D graphene crystal lattice. Limiting cases of graphene-like 2D carbon lattices without 6-member motives, i.e., pseudo-graphenes, are also studied. The geometry and energy of disclinated 2D carbon configurations are analyzed with the help of molecular dynamics (MD) simulation technique. A comparison of the obtained MD results with analytical calculations within the framework of the theory of defects of elastic continuum is presented.
Key words: graphene; pseudo-graphene; disclination; disclinated carbon ring; disclination quadrupole; disclination network; molecular dynamics.