Physics of the Solid State
Volumes and Issues
Stability of Planar Slits in Multilayer Graphite Crystals
Savin A. V. 1,2, Klinov A. P. 1
1N.N. Semenov Federal Research Center of Chemical Physics, Russian Academy of Sciences, Moscow, Russia
2Plekhanov Russian University of Economic, Moscow, Russia
Email: asavin@chph.ras.ru, aklinov@chph.ras.ru

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Using a two-dimensional coarse-grained chain model, planar slits in multilayer graphite crystals are simulated. It is shown that when covering a linear cavity on the flat surface of a graphite crystal with a multilayer graphene sheet, an open (unfilled slit) can form only if the cavity width does not exceed a critical value Lo (for width L>Lo, only a closed state of the slit is formed, with the cavity space filled by the covering sheet). The critical width of the open slit Lo increases monotonically with the number of layers K in the covering sheet. For a single-layer cavity, there is a finite critical value of its width Lo<3 nm, while for two- and three-layer cavities, the maximum width of the open slit increases infinitely with increasing K as a power function Kα with exponent 0<α<1. Inside the crystal, two- and three-layer slits can have stable open states at any width. For a slit with width L>7.6 nm, a stationary closed state is also possible, in which its lower and upper surfaces adhere to each other. Simulation of thermal oscillations showed that open states of two-layer slits with width L<15 nm are always stable against thermal oscillations, while wider slits at T>400 K transition from the open to the closed state. Open states of three-layer slits are always stable against thermal oscillations. Keywords: graphene, graphite, flat slits, molecular dynamics, coarse-grained model.
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