Stability and growth kinetics of {112} twin embryos in β-Ti alloys

G Chen, D Li, Y Zheng, L Qi - Acta Materialia, 2024 - Elsevier
Acta Materialia, 2024Elsevier
Abstract {112}< 11 1 ̄> deformation twin, shortened as {112} twin, is usually the dominant
twinning mode in transition metal alloys in a body-centered cubic (BCC) lattice except for
many BCC β titanium (Ti) alloys. To understand this twin-mode variation, we investigate
stability and early-stage growth kinetics of {112} twin embryos with multiple atomic layers in
a series of β-Ti alloys by applying density functional theory (DFT) and classical atomistic
simulations. Both simulation methods demonstrate that, as average valence electron …
Abstract
Abstract {112}< 11 1 ̄> deformation twin, shortened as {112} twin, is usually the dominant twinning mode in transition metal alloys in a body-centered cubic (BCC) lattice except for many BCC β titanium (Ti) alloys. To understand this twin-mode variation, we investigate stability and early-stage growth kinetics of {112} twin embryos with multiple atomic layers in a series of β-Ti alloys by applying density functional theory (DFT) and classical atomistic simulations. Both simulation methods demonstrate that, as average valence electron concentration (VEC measured in a unit of e/a) of Ti alloys decreases, β→ ω phase transformations at {112} twin boundaries, which are confirmed by our transmission electron microscopy characterizations, increase the critical thickness of {112} layers as stable twin embryos, possibly raising {112} twin nucleation energy barriers. In simulations of twin embryo growths under applied shear stress on {112} planes, when VEC (or temperature) values are low (∼ 4. 25 e/a at 300 K), the applied shear stress results in β twin→ α’/α” phase→ β matrix phase transformations through an anti-twinning mechanism inside the existing twin embryos; concurrently, ω phases strongly impede the twin boundary migration; these combined effects result in eliminations of {112} twin embryos. However, when VEC increases slightly (∼ 4. 34 e/a at 300 K), ω phases at twin boundaries reduce the required stress for {112} twin embryo growth compared with the cases with high VEC values (eg,∼ 4. 50 e/a at 300 K). These changes of ω effects on {112} twin embryo growth kinetics could originate from free energy landscape variations of β matrix→ ω phase→ β twin phase transformations.
Elsevier
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