To join click here. Peculiar solute diffusion mechanisms in hcp-Ti

In titanium alloys, diffusion mechanisms are important as they can affect both high- and low-temperature behaviour and mechanical properties. High-temperature properties, such as creep resistance, are largely dependent on diffusion, as mass transport is required to activate the climb mechanisms needed for deformation to occur. At low temperature, studies have found susceptibility to dwell fatigue to be thermally activated, and this is thought to be due to the abnormally fast self-diffusion of Ti at low temperature. Solute elements commonly added to titanium alloys are known to have markedly different diffusion behaviours, and some are thought to also affect the diffusivity of the host. In this work, we combine DFT and kinetic Monte Carlo to investigate different solute diffusion mechanisms in hcp-Ti, shedding light on some of these aspects.