The elastic constants of the Ti 1− x X x (X= V, Nb, Ta, Mo, and W) and Zr 1− x X x (X= Nb and
Mo) binary alloys were calculated for x= 0.0, 0.25, 0.5, 0.75, and 1.0 by the ultrasoft …

From a statistical manner, we collected and correlated experimental bulk (B), shear (G),
Young's modulus (E), and ductility (G/B) with Vickers hardness (Hv) for a number of covalent …

Using first-principles calculations, the structural, mechanical and electronic properties of the
experimentally synthesized B 12-based ternary crystals (AlMgB 14, AlNaB 14, AlLiB 14, Mg …

We report first-principles investigations of crystalline and amorphous boron and M1 x M2 y X
z B 14− z (M1, M2= Al, Mg, Li, Na, Y; X= Ti, C, Si) phases (so-called “BAM” materials). Phase …

First-principles calculations for the total energy and elastic constants of the B2-type AlRE
(RE= Sc, Y, lanthanide) have been performed at T= 0K by using the projector augmented …

The growth of Al–Mg–B thin films on SiO 2/Si (100) substrates was performed by
nanosecond pulsed laser deposition at three different substrate temperatures (300 K, 573 K …

AlLi is an intermetallic compound with cubic NaTl (B32) structure (space group Fd 3m No.
227). Its lattice parameter has been determined by several researchers. 1–4) The structure …

As an example of the application of density functional theory (DFT) to materials design, we
describe our use of ab initio calculations based on DFT to develop a new structural material …

Boron materials exist in many different structures with an important similarity that they all
contain connected B12 icosahedra. Various structures that hold potential for super-hard …

Hard and superlight thin films laminated with boron carbide have been proposed as
candidates for strategic use such as armor materials in military and space applications …