Investigation of particle formation under synchronic high rate dispersion of metal wiresAt present a method of electric pulse dispersion is one of the most promising technologies for nanoparticle synthesis of predetermined composition. It allows manufacturing composite nanopowders consisting of crystallites of a few metal or non-metal phases, which adds them new properties.
In this paper the molecular dynamics simulation of nanoparticle synthesis under synchronic dispersion of metal wires with crystal structures was carried out. Atomic interactions were described using the potentials calculated within the framework of embedded method atom. These potentials allow describing the surface properties, defect structure energy, elastic characteristics and a number of other features to a high accuracy, which are critical for the simulation of the electric pulse dispersion. In the course of high-rate heating the specimen experienced fracture followed by the formation of clusters. Influence of heat rate, temperature distribution along sample profile, distances between simulated wires 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 copper lattice. The cluster size was determined by the number of atoms constituting it.
A solution to this problem is challenging both from the scientific and practical standpoint, in particular, when developing scientific and engineering principles of nanosized particle production with a complicated structural-phase composition dictating new physico-chemical properties of this nanomaterial.
The work was supported by RAS Scientific “Basis of fundamental investigations of nanotechnologies and nanomaterials” №21.39.
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