First-principles electronic structures were used to compute the lattice and elastic constants of single-crystal TiB and NbB and changes with Nb, Ti, Al and V solutes. The data were built into an interpolation formula for lattice and elastic constants of the quartenary (TiNbAlV)B with dilute Al and V concentrations. The lattice and elastic constants of borides in two Ti alloys containing Nb and ...

We present a novel approach to reduce the thermal conductivity ($\kappa$) in thermoelectric composite materials using acoustic impedance mismatch and Debye model. Also, correlation between interface resistance (R$_{int}$) particle size of dispersed phase on k is discussed. In particular, $\kappa$ an oxide which consists natural superlattice Aurivillius (SrBi$_4$Ti$_4$O$_{15}$) as matrix perovsk...

Two conventionally solidified Al-0.2Ti alloys (with 0.18 and 0.22 at. pct Ti) exhibit no hardening after aging up to 3200 hours at 375 C or 425 C. This is due to the absence of Al3Ti precipitation, as confirmed by electron microscopy and electrical conductivity measurements. By contrast, an Al-0.2Zr alloy (with 0.19 at. pct Zr) displays strong age hardening at both temperatures due to precipita...

The structure, elastic properties and electronic structure of Ti-Al intermetallics including Ti3Al (space group P63/mmc), TiAl I4/mmm) TiAl3 P4/mmm) are systematically studied by first-principles calculations. results show that can exist stably whether Cr replaces Ti or Al. ductility the alloy cannot be improved when is replaced in Cr-doped TiAl3. However, it Al, has better ductility. In Ti3Al,...

We address the long-standing question of nature oxygen vacancies in strontium titanate, using a combination density functional theory and dynamical mean-field (DFT+DMFT) to investigate particular effect vacancy-site correlations on electronic properties. Our approach uses minimal low-energy subspace including Ti-$t_{2g}$ orbitals plus an additional vacancy-centered Wannier function, provides in...

Abstract: Production of titanium aluminides in TiO2-Al-Ca system has been investigated. For this purpose, different compositions of raw materials were studied in a special reaction vessel. In a special case, the non-completed reaction of TiO2 with Al and Ca resulted in the production of granulates of titanium aluminides especially Ti3Al and other Ti – Al phases as the metallic product and C...