Numerical study of atomic scale deformation mechanisms of Ti grains with different crystallographic orientation subjected to scratch testing A. I. Dmitriev, A. Yu. Nikonov, A. R. Shugurov, A. V. Panin
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ArticleSubject(s): молекулярная динамика | титан | скретч-тестирование | кристаллографическая ориентация граней зеренGenre/Form: статьи в журналах Online resources: Click here to access online
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Applied surface science Vol. 471. P. 318-327Abstract: Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied
experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of
the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the
scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower
residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin
of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with
different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide
but also to favor the development of rotational deformation and further fragmentation of the material in the
scratch groove.
Библиогр.: 34 назв.
Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied
experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of
the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the
scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower
residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin
of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with
different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide
but also to favor the development of rotational deformation and further fragmentation of the material in the
scratch groove.
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