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Atomic mechanisms of local structural rearrangements in strained crystalline titanium grain

Iv. S. Konovalenko, D. S. Kryzhevich, K. P. Zolnikov, S. G. Psakhie

Institute of Strength Physics and Materials Science, Siberian Branch of the Russian Academy of Sciences, Tomsk

Abstract: The nucleation and development of plastic deformation in a crystalline grain of titanium (Ti) during uniaxial tension has been studied by molecular dynamics (MD) simulations with the interatomic interaction described using the embedded atom method. Specific features of the generation of local structural rearrangements in the grain at various straining rates are revealed. It is established that there is a threshold deformation level at which local structural rearrangements begin to nucleate in the crystal, which is accompanied by a jumplike decrease in the potential energy. Because of the inertial character of the accommodation processes, this threshold value increases with the loading velocity.

Received: 12.05.2011

 English version: Technical Physics Letters, 2011, 37:10, 946–948

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