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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2016 Volume 18, Issue 1, Pages 23–31 (Mi chphm252)

Investigation of forming bimetallic layer in the obtained materials explosion welding by molecular dynamics simulation

O. I. Evstafiev, V. B. Dementyev, M. Yu. Alies

Institute of Mechanics, Ural Branch of the Russian Academy of Science, Izhevsk, Russia

Abstract: It is conducting a study of bimetallic compounds obtained by explosion welding. Computer simulation of the molecular dynamics method is used. The choice of the molecular dynamics considered to be perspective for this type of problems.
Based on an analysis of the most common canonical ensembles solve this problem it is advisable to MD ensemble. This is due to the fact that we are at any given time position and the plating plate border respectively the simulated sample, based on the speed plating plate which can be measured experimentally.
Methods for simulation of external influence on the molecular redundant system. The problems of the phenomenological description of the interatomic interactions. Phenomenological description of interatomic interactions, based on some analytical expression with parameters fitted to the experimentally data, can be successfully used in molecular dynamics calculations.
To describe the interactions in the considered molecular system was chosen the Lennard-Jones potential. Having a simple shape (2 parameters), Lennard-Jones potential can be used to describe the interaction between the two different materials. As for the materials, and having their own settings Lennard-Jones, "cross"-constants can be calculated according to the rules-Berthelot mixing Lorentz.
As an example, bimetallic compounds include Al-Cu material. It is produced by explosion welding of sheet aluminum and copper billets of different brands. The problems of selection of technological parameters of the formation of bimetallic Al-Cu.
These results allow us to estimate the prospects of the method of MD simulations for this class of problems. Further research is planned to study the structure and mechanical properties of the layer formed by the bimetallic (eg, using the Voronoi-Delaunay diagrams), an analysis of the processes occurring in the material, using the apparatus of mathematical statistic.

Keywords: molecular dynamics, bimetallic, explosion welding.

UDC: 539.199



© Steklov Math. Inst. of RAS, 2024