The anisotropy in elasticity, mechanical properties and electronic properties of CaM 2 Al 20
(M= V, Nb, Cr, Ti, Mo and Ta) compounds were investigated using the first-principle …

The key parameters of growth and nucleation of Al3TM particles (TM= Sc-Zn, Y-Cd and Hf-
Hg) have been calculated using the combination of the first principles calculations with the …

Intermetallic compounds (IMCs) generated by direct laser welding of aluminum and steel
decrease the strength of the joint. To evaluate the effect of alloying elements on the …

The first-principles method is used to investigate the structural stabilities stability, elastic
properties, elastic anisotropy, electronic properties and thermodynamics properties for TaB 2 …

First principles calculations were used to explore the structural stability, mechanical
properties, ductile or brittle behavior, anisotropic properties and thermodynamic properties …

First principles calculations were used to explore the structural stability, elastic properties,
ductile or brittle behavior, anisotropy, dynamical stability and thermodynamic properties of …

In this present work, we systematically studied the properties of metastable Al 3 Ti/Al (L1 2-Al
3 Ti/Al) low-index coherent interface, including structure stability, fracture behavior, plasticity …

The mechanical properties, electronic structure and thermodynamic properties of the Mo 2
XB 2 and MoX 2 B 4 (X= Fe, Co, Ni) ternary borides were calculated by first-principles …

First principles method were used to explore the structural stability, mechanical properties,
anisotropic properties and thermodynamic properties of RETi 2 Al 20 (RE= La, Ce, Gd and …

The mechanical, thermal and electrical properties of 8 types of common Al x TM y (TM= Sc–
Zn, Y–Cd, Hf–Hg) intermetallics in Al based alloys at various temperatures and pressures …