Tensile mechanical properties of Ni-based superalloy of nanophases using molecular dynamics simulation

L Ma and SF Xiao and HQ Deng and WY Hu, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 253, 726-732 (2016).

DOI: 10.1002/pssb.201552149

The mechanical properties of Ni/Ni3Al monocrystal of nanophases with varying temperatures, strain rates, and phase sizes have been studied using molecular dynamics simulation. The simulation results show that the primary deformation mechanisms in Ni/Ni3Al monocrystal of nanophases were slip bands and antiphase boundaries at room temperature. The studies on the effects of temperature showed that the yield strain, yield strength, and elastic module decreased as temperature increased. However, the influences of strain rate and phase size on the mechanical properties of Ni/Ni3Al monocrystal of nanophases showed that the high strain rate led to the increase of yield stress, and the phase sizes had no significant influence on the maximum yield stress. In addition, the behavior of crack propagation in the model of Ni/Ni3Al interface was investigated under cyclic loading, and it was found that the interface of Ni/Ni3Al was resistance to the fatigue crack propagation.

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