Stacking faults are defined as regions present in the crystal where the normal sequence of
stacking is disturbed. This takes place around a localized area. These defects come under …

To date, the aging softening of Mg-Li-Zn based alloys has been a critical issue limiting their
industrial application. Here, we design a new Mg-Li alloy that exhibits exceptional …

First-principles supercell calculations were performed to predict the site preference of Pt, Hf,
Cr and Ir in L12 Ni3Al. Our calculations showed that, at T= 0K, Pt always prefers Ni sites …

Using the Wagner–Schottky model in combination with first-principles supercell calculations,
we performed a detailed study of the site occupancy behavior of 3d (Ti–Cu), 4d (Zr–Ag) and …

The formation energies of point defects and the interaction energies of various defect pairs
in NiAl are calculated from first principles within an order N, locally self-consistent Green's …

Refractory high entropy alloys (RHEAs) from the Mo–Cr–Ti–Al system exhibit promising
strength at elevated temperatures. However, at room temperature they possess a B2 …

Based on the first-principle calculation, the micromechanism in fracture toughness of the
NbCr 2 Laves phase improved by Nickel alloying was estimated by several parameters such …

The mechanical, electronic and thermodynamic properties of L1 2-type Al 3 Sc and Al 3 Li
precipitates have been investigated from first-principles method. The calculated equilibrium …

Morphology, distribution, composition, forming ability, structural stability and intrinsic
mechanical properties of the intermetallic compounds (IMCs) formed in steel/aluminum laser …

Site substitution of ternary elements in ordered compounds influences the electronic
structure and hence the properties of compounds at the continuous level. The electronic …