Temperature-dependent structural, mechanical, and thermodynamic properties of B2-phase Ti2AlNb for aerospace applications

K Goyal, C Bera, N Sardana - Journal of Materials Science, 2022 - Springer
Ti2AlNb intermetallic is a potential substitute for Ni-based superalloys in next-generation
aerospace materials. In the current work, the structural, mechanical, and thermodynamic …

Ab initio molecular dynamics study of the local structures and migration behaviors of liquid Sb-based alloys

Z Li, Y Li, Y Feng, Y Feng, Y Wen… - Journal of Physics D …, 2023 - iopscience.iop.org
High-purity Sb is widely applied in the semiconductor industry, infrared detection and non-
volatile memory. An in-depth knowledge of the local structure and related properties in liquid …

Effect of doping IVB, VB and VIB elements on structure, stability, elastic and electronic properties of the O and B2 of Ti2AlNb intermetallic: A first principles study

K Goyal, N Sardana - Journal of Physics and Chemistry of Solids, 2023 - Elsevier
The intermetallic stability, structural, and elastic properties of the B2 and the O intermetallic
of Ti 2 AlNb intermetallic doped with IVB, VB, and VIB elements of the periodic table are …

Mechanical stability and origin of half-metallicity of new M2NiZ (M= Sc, Ti, and V; Z= Tl and Pb) Heusler alloys

M Ram, A Saxena, N Limbu, H Joshi… - Journal of Applied …, 2020 - pubs.aip.org
A theoretical investigation of electronic and magnetic properties has been performed on the
new members of Heusler alloys M 2 NiZ (M= Sc, Ti, and V; Z= Tl and Pb) that crystallize in an …

Theoretical study of the effects of alloying elements on TiO 2/Ti 2 AlNb interface adhesion properties

Y Li, B Shi, JH Dai, Y Song - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Ti2AlNb-based alloys are expected to be applied in the manufacture of parts of aeroengines
to achieve the goal of increasing the thrust-to-weight ratio. However, the poor high …

Phase stability, mechanical, thermal, electronic properties, anisotropy, lattice dynamics and APB-energies of Ti2AlX intermetallics in α2, B2, and O phases: A first …

K Goyal, C Bera, N Sardana - Materials Today Communications, 2021 - Elsevier
The ternary titanium aluminide based alloys have been lucrative for high-temperature
applications in next-generation aerospace vehicles. Present work systematically …

[HTML][HTML] Effect of V-VIB group ternary elements on the properties of Ti2AlM-type O-phases: A first-principles study

ZH Pebdani, R Janisch, F Pyczak - Computational Condensed Matter, 2024 - Elsevier
Understanding the underlying constitutional mechanisms for the stability of complex phases
and comprehending it is crucial to find new materials with desired mechanical and physical …

Ab Initio Molecular Dynamics Study of the Local Structures and Migration Behaviors of Liquid Sb-Based Alloys

Y Feng, Z Li, Y Li, Y Feng, Y Wen, R Wang… - Available at SSRN … - papers.ssrn.com
High-purity Sb is widely applied in the semiconductor industry, infrared detection and non-
volatile memory. However, there is scarce comprehensive knowledge of the local structure …