The first principles study on the effects of alloying element on elastic properties of Ni

The alloying effect on the elastic constants of Ni is studied by performing the first principles calculation for a cluster model.The results are compared with the available experimental data and analyzed based on the volume changes and electron density. It is found that the shear modulus decreases with increasing volume caused by alloying addition and the bulk modulus (B) is related to the total molar volume (Vm) and electron density (n) with the relationship, n ∝ (B/V_m)^1/2. The melting temperatures of Ni-X dilute solutions calculated from the available thermodynamic databases have been compared to those obtained from the empirical relationship with the elastic constant c11. The calculated elastic constants show good relationships with the mechanical properties and give us a guideline to understand and develop Ni-based superalloys.