Molecular dynamics study of two-dimensional discrete breather in nickel

Abstract

A discrete breather (DB) is a spatially localized vibrational mode of large amplitude in a defect-free anharmonic lattice. Generally, zero-dimensional DB is considered to be localized in all [Formula: see text] directions of the [Formula: see text]-dimensional lattice. However, the question of existence of DBs localized in [Formula: see text]–[Formula: see text] directions and delocalized in other [Formula: see text] directions remains open. In the present paper, for the first time, the case of [Formula: see text] and [Formula: see text] is considered by constructing a two-dimensional (2D) DB in the fcc nickel lattice using molecular dynamics methods. In order to excite such DB, one of the delocalized vibrational modes of the triangular lattice was used (the (111) plane in fcc crystal is a triangular lattice). All simulations were carried out at zero temperature. The investigated 2D DB demonstrates hard-type nonlinearity, when its oscillation frequency increases with increasing amplitude. The oscillation frequencies of the DB are above the upper edge of the phonon spectrum for nickel, which is 10.3[Formula: see text]THz. The maximum DB lifetime is found to be 9.5[Formula: see text]ps. The obtained results expand our understanding of diversity of nonlinear spatially localized vibrational modes in nonlinear lattices.