NUMERICAL SIMULATION OF FRACTURE OF NANOCRYSTALS OF THE TiAl3 INTERMETALLIC COMPOUND BY THE MOLECULAR DYNAMICS METHOD

SP Kiselev, JOURNAL OF APPLIED MECHANICS AND TECHNICAL PHYSICS, 62, 411-418 (2021).

DOI: 10.1134/S002189442103007X

Results of numerical simulations of fracture of nanocrystals of the TiAl3 intermetallic compound by the molecular dynamics method are reported. The TiAl3 nanocrystals are subjected to uniaxial tension in a wide range of temperatures (300-1200 K). It is demonstrated that tension of nanocrystals of the TiAl(3)intermetallic compound heated approximately up to 1000 K first leads to a phase transition from the crystalline to liquid state, followed by fracture. Fracture of a heated TiAl3 nanowire is preceded by deformation in the superplasticity regime.

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