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Ab-initio guided design of TRIP/TWIP titanium alloys for enhanced yield strength
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DOI：10.1080/21663831.2026.2659842.png)
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Abstract
En 中文
New TRIP/TWIP strengthening parameters quantifying the influence of alloying elements on the yield strength have been determined through considering the elementary energy barrier associated with stress-induced martensitic transformation and {332}<113> twinning, respectively. Ab initio calculations have been performed and linked with solute concentration, average electron-to-atom ratio e/a and electronic Bo-Md parameters for a set of classical b-stabilizer elements. It is found that the e/a value governs the critical energy activating TRIP/TWIP effects; however, this correlation is not universal-high period elements can further increase transformation barriers even at comparable or lower e/a. The presented results and first-principles framework act as a novel tool supporting design of the new alloys with controlled yield strength.
Keywords:
Titanium
TWIP
TRIP
mechanical properties
Ab initio
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