Recent developments in applied mathematics and mechanics: theory, experiment and practice. Devoted to the 80th anniversary of academician N.N.Yanenko

Akademgorodok, Novosibirsk, Russia, June 24 - 29, 2001



Abstracts


Novosibirsk participants

MD simulation of Ni spherical cluster melting at slow heating and at colliding with rigid wall.

Bolesta A.V., Golovnev I.F., Fomin V.M.

Institute of Theoretical and Applied Mechanics (Novosibirsk)

The state in the particle/substrate contact determines the processes responsible for the appearance of a mechanoactivation bond during cold gas-dynamic spraying. Within the framework of mechanics of continuous media, the unique condition for the appearance of such a bond is the melting of the material at the contact boundary. Thus, it was shown [1] that a thin layer of melted metal can appear in the contact region if the particle deformed using the impact with a certain velocity. Therefore, the study of these processes by the method of molecular dynamics is important.

In the present work, by the example of spherical nickel clusters, a comparative analysis for the state in the course of melting with slow heating and the state at the contact during a collision with a rigid wall is performed. Diagrams of the state of nickel are calculated by heating clusters of different diameters up to a temperature higher than the melting point. The melting point decreases with decreasing number of particles in the cluster. A mesoanalysis is performed in the cluster/wall contact region in the course of the collision. It is shown that thermodynamic parameters reach the values corresponding to melting in the near-wall region of a cluster with the number of atoms of 5000 with initial velocities higher than 1000 m/sec, and the study of structural changes in the state of the cluster in this region confirms the assumption on melting of a thin layer of nickel at the boundary with the wall.

1. Alkhimov A.P., Klinkov S.V., Kosarev V.F. Temperature near the contact boundary at a high-velocity impact of a microparticle on the surface// Physical Mesomechanics - 2000. - Vol.3 - No.1 - P.53-57.

Note. Abstracts are published in author's edition



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