Oxygen-dislocation interaction in titanium from first principles

Abstract : The interaction between screw dislocations and oxygen interstitial atoms is studied with ab initio calculations in hexagonal close-packed titanium. Our calculations evidence a strong repulsion when the solute atoms are located in the dislocation glide plane, leading to spontaneous cross-slip, which allows the dislocation to bypass the atomic obstacle. This avoidance process explains several experimental observations in titanium in presence of oxygen: (1) a larger lattice friction against screw dislocation motion, (2) a reduction of the dislocation glide distance in prismatic planes and (3) an enhancement of cross-slip in pyramidal planes.
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Scripta Materialia, Elsevier, 2019, 162, pp.200 - 203. 〈10.1016/j.scriptamat.2018.11.025〉
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https://hal.archives-ouvertes.fr/hal-01933243
Contributeur : Emmanuel Clouet <>
Soumis le : vendredi 23 novembre 2018 - 15:56:17
Dernière modification le : jeudi 29 novembre 2018 - 16:21:38

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Nermine Chaari, David Rodney, Emmanuel Clouet. Oxygen-dislocation interaction in titanium from first principles. Scripta Materialia, Elsevier, 2019, 162, pp.200 - 203. 〈10.1016/j.scriptamat.2018.11.025〉. 〈hal-01933243〉

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