Investigation of defect nucleation in titanium under mechanical loading

Konstantin P. Zolnikov, Aleksandr V. Korchuganov, Dmitrij S. Kryzhevich, Sergey G. Psakhie
2014
The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination
more » ... coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.
doi:10.1063/1.4899035 fatcat:gnah4rzmbfefpj4fl2xpixpvsm