ATOMISTIC SIMULATION OF THE MECHANICAL BEHAVIOR OF Ni₃Al NANOWIRES

Abstract

Simulations have been carried out on [001]-oriented Ni 3 Al nanowires with square cross-section with the purpose to investigate the mechanism of failure under tensile and compressive strain. Simulation results show that the elastic limit of the nanowire is up to about 15% strain with the yield stress of 5.99–6.48 GPa under tensile strain. Under the elastic stage, the deformation is carried mainly through the uniform elongation of the bonds between atoms. With more tensile strain, the slips in the {111} planes occur to accommodate the applied strain at room temperature under tensile strain. And the nanowires accommodate the compressive strain by forming the twins within the nanowires.

Tensile mechanical properties of Ni3Al nanowires at intermediate temperature

“…Ni 3 Al is an intermetallic alloy with a face-centered-cubic L1 2 structure. 1 It has been intensively studied due to its potential high strength, high corrosion resistance and high thermal properties in the aerospace industry, [2][3][4][5] but it has been vexed with inherent crystallography character limitations, especially the intermediate temperature (900-1100 K) brittleness (ITB). 6,7 Low plasticity, occurring at the intermediate temperature, limits the production, processing and application of the Ni 3 Al alloy.…”