Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1498208 | Scripta Materialia | 2015 | 4 Pages |
Abstract
The mechanical properties of α-Ti are greatly affected by the presence of oxygen impurities. Here we focus on the interaction of oxygen with prismatic faults and oxygen diffusion barriers in α-Ti using a multiscale quantum mechanics/molecular mechanics approach. We show that a one-sixth monolayer of oxygen addition increases the Peierls stress 4-fold and reduces the dislocation core width by 18%. The calculated hardening effect due to oxygen and the oxygen diffusion barriers are consistent with experiments.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
M.A. Bhatia, X. Zhang, M. Azarnoush, G. Lu, K.N. Solanki,