Numerical Simulation of Fracture of Titanium and Aluminum Nanocrystals by the Molecular Dynamics Method
SP Kiselev and VP Kiselev, COMBUSTION EXPLOSION AND SHOCK WAVES, 57, 487-500 (2021).
Results of numerical simulations of fracture of titanium and aluminum nanocrystals by the molecular dynamics method are reported. The nanocrystals are subjected to uniaxial tension in a wide temperature range (300-1270 K). It is demonstrated that tension of titanium nanocrystals heated to temperatures above 0.7 of the melting temperature in a non-stressed nanocrystal first leads to a phase transition from the crystalline to liquid state, followed by fracture. This effect is not observed in the case of tension of the aluminum nanocrystal.
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