The paper considers the problem of finding the structure of a fragment of two-dimensional crystal lattice with the minimal energy. Atoms in a lattice reside on parallel lines (layers). The interatomic distances are the same within one layer but can differ for distinct layers. The energy of the piece of material is computed using so-called potential functions. We used Lennard-Jones, Morse and Tersoff potentials. The proposed formulation can serve as a scalable complex non-smooth optimization test. The paper evaluates various optimization techniques for the problem under consideration, compares their performances and draws the conclusion about the best choice of optimization methods for the problem under test. As a result we were able to locate minima meaningful from the physical point of view, e.g. reproducing graphene lattice.
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