Lattice and elastic constants of titanium-niobium monoborides containing aluminum and vanadium

TL;DR

This study uses first-principles calculations to determine the lattice and elastic properties of titanium-niobium borides with various solutes, providing a predictive model for quaternary alloys and validating with experimental data.

Contribution

It introduces an interpolation formula for lattice and elastic constants of TiNbAlV borides with dilute Al and V, based on first-principles data and microprobe measurements.

Findings

Lattice and elastic constants of TiB and NbB are computed.

Interpolation formula accurately predicts properties of quaternary borides.

Experimental data supports the computational predictions.

Abstract

First-principles electronic-structure computes the lattice and elastic constants of single-crystal TiB and NbB and changes with Nb, Ti, Al, and V solutes. The data is 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 Al are predicted from microprobe measurements.