Resumen

PATHAK, Ashish  y  SINGH, Ashok Kumar. Mechanical properties of Ni-based solid solution alloys: A first principles study. J. appl. res. technol [online]. 2017, vol.15, n.5, pp.449-453. ISSN 2448-6736.  https://doi.org/10.1016/j.jart.2017.05.006.

Present work describes the structural stability and mechanical properties of Ni-based binary and ternary alloys. These alloys have been evaluated using first principles density functional theory (DFT) within generalized gradient approximation (GGA). The equilibrium lattice constant values of the g phase in these alloys are in good agreement with the experimental data obtained by X-ray diffraction. The values of formation energy per atom of the ternary alloys are considerably lower than the Ni-16Cr binary alloy. These alloys satisfy the mechanical stability criteria in terms of elastic constants and possess ductile behaviour based on shear to bulk ratios.

Palabras llave : Ni-based alloys; First principles calculation; Elastic constants; Formation energy; Lattice constant.

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