The brittleness and work-softening of Bulk Metallic Glasses (BMGs) prevent their wide
applications as structural engineering materials. In order to settle this problem, the BMG …

The effects of Co and Fe co-doping Ni–Mn–In alloy on the phase stability, lattice parameters,
magnetic properties, and electronic structures are systematically investigated by using the …

Due to the importance of NiTi as a shape-memory material and the uncertainty regarding its
atomisitic martensitic transformation path, a thorough investigation to understand the …

The site preference and elastic properties of Fe-, Co-, and Cu-doped Ni 2 MnGa alloys are
investigated by using the first-principles exact muffin-tin orbital method in combination with …

Nickle-titanium (NiTi) alloys are widely considered as one of the most intelligent materials
with great commercial values. This study focuses on investigating the grain size (GS) effect …

We present a procedure to determine temperature-dependent thermodynamic properties of
crystalline materials from density functional theory molecular dynamics (DFT-MD). Finite …

The composition dependent lattice parameter, phase stability, elastic moduli, and magnetic
transition temperature of the Ni 2+ x Mn 1− x Ga shape-memory alloys are studied by using …

The site occupancy and elastic modulus of off-stoichiometric Ni 2 MnGa alloys are
investigated by the use of the first-principles exact muffin-tin orbital method in combination …

The alloying effect of Cu on thermal and mechanical behavior in Ni 50-x Ti 35 Zr 15 Cu x (x=
0, 3, 5, 10, 15 at.%) shape memory alloys has been systematically investigated in the …

Using the first-principles calculations and phonon QHA method, the thermodynamic stability,
mechanical and thermophysical properties of binary Ni-Ti phases are obtained. The most …