Using the method of molecular dynamics, peculiarities of structure rearrangements in nanofiber of intermetallic compound Ni 3 Al, containing long-period antiphase boundaries are investigated in the course of high-speed uniaxial tensile loading along the direction <001>. Four principal stages of deformation (quasielastic, plastic, flow, and failure) are identified, in each of which characteristic features of structureenergy transformation peculiar for this stage are observed. It is found that the presence of planar defects in long-period nanostructure exerts a considerable effect on the variation of the onset of plastic deformation stage.
Using molecular dynamics simulations, peculiarities of structure rearrangement in nanofiber of intermetallic Ni 3 Al containing long-period, paired, thermal (nonconservative) anti-phase boundarties (APBs is investigated in the course of high-rate, tensile uniaxial loading along <001>. Four main deformation stages are determined (quasi-elastic, plastic, material flow and rupture), with each stage revealing particular features of structure transformations and energy transfer. The presence of periodic thermal planar defects in the long-period nanostructure (combined thermal anti-phase boundaries) significantly affects the onset of plastic deformation. A change in the type of thermal APBs in the long-period structure in turn affects the time to total rupture of nanofiber under plastic deformation condition. For the thermal АА 1/2<110>{001}APBs, the time to total nanofiber rupture is slightly decreased, while that for the thermal АВ 1/2<110>{001} APBs is considerably increased.
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