Plane and plane-radial discrete breathers in fcc metals
OV Bachurina, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 27, 055001 (2019).
Discrete breather (DB) is a time-periodic, spatially localized vibrational mode in a perfect nonlinear lattice. In this study, two new types of DBs are reported in fcc metals (Al, Cu and Ni), based on the molecular dynamics simulations using standard embedded atom method interatomic potentials. All calculations are performed at a zero temperature in a three-dimensional computational cell with the use of periodic boundary conditions. A plane DB is excited in a single (111) atomic plane by displacing the atoms from their equilibrium lattice sites according to a specific pattern corresponding to a delocalized vibrational mode in a two-dimensional triangular lattice. This plane DB is delocalized in two dimensions and localized in one dimension, normal to the excited (111) plane. It is shown that in all studied metals the plane DBs have maximal lifetimes of 17-22 ps in the range of initial amplitudes of 0.15-0.30 angstrom. Herewith the studied mode demonstrates a hard type of nonlinearity, i.e. its frequency increases with amplitude. The second new type of DB is the plane-radial DB obtained by imposing a radial localizing function on the plane DB. This disk-type DB is localized in all three dimensions. The time evolution of the atomic displacement amplitudes and the kinetic energy are studied. The DBs of this type can exist for 9 and 4 ps in Cu and Ni, respectively, and then they decay by dissipating their vibrational energy onto neighboring atoms. The long-lived plane-radial DB in Al is not found.
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