NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2011, 2 (2), P. 76–83
MOLECULAR DYNAMICS INVESTIGATION
OF DEFORMATION RESPONSE OF THIN-FILM
METALLIC NANOSTRUCTURES UNDER HEATING
I. S. Konovalenko(1), K. P. Zolnikov(1), S.G. Psakhie(1)
(1)Organization of the Russian Academy of Sciences, Institute of Strength Physics and Materials Science of the Siberian Branch of RAS
Molecular dynamics simulation of nanostructure behavior under impulse heating is carried out. These structures are formed by self-rolling of nano-thickness bilayer crystal films. The interatomic interactions are described by potentials obtained by the embedded atom method. The calculation data are shown that simulated nanostructures can transform the supplied thermal energy into the mechanical oscillations of its free edges. The influence of
heating rate and its duration, medium viscosity properties on kinematical characteristics of simulated nanostructures is investigated. The influence of mass and size of oscillating free edges of nanostructures on their behavior under heating is studied. The efficiency estimation of thermal energy transformation, supplied to nanostructures, into
mechanical oscillations of their free edges versus nanostructure configuration, chemical composition and rate of impulse heating is carried out. The atomic mechanisms responsible for the peculiarities of local atomic structure transformations in bilayer nanofilm under its detaching from the substrate as well as mechanism of thermal energy conversion into mechanical one by nanostructures are investigated.
Keywords: heterogeneous nanostructures, kinematical properties, computer simulation, molecular dynamics, multiparticle potentials.