Interface Influence on Dispersion Dynamic of Metal Nanowires under Electric Pulse Loading

Abstract:

The molecular dynamics simulation of nanoparticle synthesis under pulse electric dispersion of metal nanowires with interfaces was carried out. Atomic interactions were described using the potentials calculated within the framework of embedded method atom. Surface properties, defect structure energy, elastic characteristics and a number of other features, which are critical for the simulation of the electric pulse metal wire dispersion, can be described by these interatomic potentials with high accuracy. The nanowires simulated had a cylindrical shape. Along the cylinder axis use was made of periodic boundary conditions, while in the other directions, a free surface was simulated. Heating of the nanowires was performed by scaling of the atomic velocities following a linear law while maintaining a Maxwell distribution. In the course of high-rate heating the specimen experienced fracture followed by the formation of clusters. Influence of interfaces, heat rate, temperature distribution along sample profile on structure of generated nanoparticles was investigated. The atoms were assumed to belong to one cluster, given that the spacing between the nearest atoms was less than the threshold distance. The latter was assumed to be equal to the radius of the second coordination sphere in a perfect metal lattice.

• Periodical: Key Engineering Materials (Volumes 592-593)
• Pages: 317-320
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.592-593.317
• Online since: November 2013
• Authors: Konstantin Petrovich Zolnikov, Dmitrij Sergeevich Kryzhevich, Andreij Vladimirovich Abdrashitov, Sergei Grigorievich Psakhye
• Keywords: Electrical Explosion, Molecular Dynamic (MD), Nanoparticle

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