The nanoscale, coherent topologically close-packed (TCP) precipitate plates
in magnesium alloys are found beneficial to the strength and creep resistance
of alloys. However, the conventional trial-and-error method is too
time-consuming and costly, which impedes the application of TCP precipitates to
hcp-based metallic alloys. Here, we systematically screen the potential
coherent TCP precipitate plates in the three most common hcp alloys, magnesium
(Mg), titanium (Ti), and zirconium (Zr) alloys, using an efficient
high-throughput screening methodology. Our findings indicate that the
hcp-to-TCP structural transformations readily occur in Mg alloys, leading to
abundant precipitation of TCP plates. However, hcp-Ti and Zr alloys exhibit a
preference for hcp-to-bcc structural transformations, rather than the in situ
precipitation of TCP plates. These screening results are largely consistent
with experimental observations. The insights gained contribute to a deeper
understanding of precipitation behavior in various hcp-based alloys at the
atomic level and provide insightful reference results for designing novel
alloys containing TCP phases.Comment: arXiv admin note: substantial text overlap with arXiv:2307.0667