This article is cited in 1 paper

Numerical simulation of fracture of nanocrystals of the TiAl$_3$ intermetallic compound by the molecular dynamics method

S. P. Kiselev

Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of the Russian Academy of Sciences, 630090, Novosibirsk, Russia

Abstract: Results of numerical simulations of fracture of nanocrystals of the TiAl$_3$ intermetallic compound by the molecular dynamics method are reported. The TiAl$_3$ 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 their fracture. Fracture of a heated TiAl$_3$ nanowire is preceded by deformation in the superplasticity regime.

Keywords: molecular dynamics, nanocrystal, titanium, aluminum, intermetallic compound, fracture, uniaxial tension, heating, plastic deformation.

UDC: 539.22

Received: 01.02.2021
Revised: 01.02.2021
Accepted: 01.03.2021

DOI: 10.15372/PMTF20210307

 English version: Journal of Applied Mechanics and Technical Physics, 2021, 62:3, 411–418

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