Deformation and fracture in graphene with divacancies of the 555–777 type


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Abstract

The deformation and fracture of graphene sheets containing 555–777 defects have been investigated by molecular dynamics simulations. Each such defect is a divacancy forming a localized configuration of three pentagonal and three septangular cells of carbon atoms in a hexagonal graphene lattice. An emphasis is made on the influence of 555–777 defects in graphene on its mechanical characteristics (stress–strain curve, uniaxial tensile strength, and maximum elastic strain).

About the authors

A. S. Kochnev

Peter the Great St. Petersburg Polytechnic University; St. Petersburg State University

Email: semenov@bs1892.spb.edu
Russian Federation, St. Petersburg, 195251; St. Petersburg, 199034

N. F. Morozov

Peter the Great St. Petersburg Polytechnic University; St. Petersburg State University; Institute of Problems of Mechanical Engineering

Email: semenov@bs1892.spb.edu
Russian Federation, St. Petersburg, 195251; St. Petersburg, 199034; St. Petersburg, 199178

I. A. Ovid’ko

Peter the Great St. Petersburg Polytechnic University; St. Petersburg State University; Institute of Problems of Mechanical Engineering

Email: semenov@bs1892.spb.edu
Russian Federation, St. Petersburg, 195251; St. Petersburg, 199034; St. Petersburg, 199178

B. N. Semenov

Peter the Great St. Petersburg Polytechnic University; St. Petersburg State University

Author for correspondence.
Email: semenov@bs1892.spb.edu
Russian Federation, St. Petersburg, 195251; St. Petersburg, 199034

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