Oxygen-dislocation interaction in titanium from first principles

被引：27
作者：
Chaari, Nermine [1 ,3 ]
Rodney, David [2 ]
Clouet, Emmanuel [1 ]
机构：
[1] Univ Paris Saclay, DEN Serv Rech Met Phys, CEA, F-91191 Gif Sur Yvette, France
[2] Univ Claude Bernard Lyon 1, Inst Lumiere Matiere, CNRS, F-69622 Villeurbanne, France
[3] 10 Rue Juliette Recamier, F-69006 Lyon, France
来源：
SCRIPTA MATERIALIA | 2019年 / 162卷
关键词：
Dislocation; Plasticity; Titanium; Oxygen; Hardening; ALPHA-TITANIUM; PLASTIC-DEFORMATION; CORE STRUCTURE; IN-SITU; INTERSTITIAL SOLUTES; SCREW DISLOCATIONS; PRISMATIC SLIP; CROSS-SLIP; TI; GLIDE;
D O I：
10.1016/j.scriptamat.2018.11.025
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
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. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：200 / 203
页数：4
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