Simulation of nanoparticles with block structure formation by electric dispertion of metal wire

Abstract

Properties of metal, alloy and ceramic nanopowders are largely determined not only by the size of the resulting nanoparticles but also by the degree of their activation and peculiarities of their internal. The size of nanoparticles manufactured by most technologies is tens of nanometers or more. A promising process for the synthesis of nanopowders of predetermined composition is the method of electrothermal pulsed dispersion (ETPS). The purpose of this work is to investigate fracture dynamics of metal wires having perfect crystal structure with respect to spatial temperature distribution in the course of the ETPS process. The problems were solved using the molecular dynamics approach. Simulation of fracture in the course of ETPS was performed by heating of a copper crystallite to high temperature within a short time step. There are two characteristic stages of response. The first, the average atomic spacing is quickly increasing to reach the maximum without distorting continuity of the specimen. The second, further accommodation of the specimen occurs due to its fracture followed by the formation of different-size clusters and a gas phase.