Impact of oxygen ordering on titanium lattice parameters

被引：2

作者：

Noutack, Martin S. Talla ^{[1
]}

Amann, Fabienne ^{[2
,3
]}

Nowak, Sophie ^{[4
]}

Poulain, Regis ^{[3
]}

Guillou, Raphaelle ^{[5
]}

Delannoy, Stephanie ^{[2
,6
]}

Guillot, Ivan ^{[3
]}

Prima, Frederic ^{[2
]}

Clouet, Emmanuel ^{[1
]}

机构：

[1] Univ Paris Saclay, Serv Rech Corros & Comportement Mat, CEA, SRMP, F-91191 Gif Sur Yvette, France

[2] Univ PSL, Chim ParisTech, CNRS, IRCP,UMR 824, F-75005 Paris, France

[3] Univ Paris Est Creteil, CNRS, ICMPE, UMR 7182, 2 Rue Henri Dunant, F-94320 Thiais, France

[4] Univ Paris Cite, CNRS, ITODYS, UMR 7086, F-75013 Paris, France

[5] Univ Paris Saclay, Serv Rech Mat & Procedes Avances, CEA, F-91191 Gif Sur Yvette, France

[6] Biotech Dent SAS, 305 Allees Craponne, F-13300 Salon De Provence, France

来源：

PHYSICAL REVIEW MATERIALS | 2024年 / 8卷 / 01期

关键词：

O SOLID-SOLUTION; ALPHA-TITANIUM; DISORDER TRANSFORMATION;

D O I：

10.1103/PhysRevMaterials.8.013607

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Variations with oxygen concentration of titanium lattice parameters are obtained by means of ab initio calculations, considering the impact of oxygen ordering. The quasiharmonic approximation is used to take into account the thermal expansion at finite temperature. Results show that lattice parameters depend mainly on oxygen concentration and, to a lesser extent, on the ordering state. Knowing these theoretical variations, one can get insights into the composition of ordered compounds existing in Ti-O binary alloys from their lattice mismatch measured experimentally by x-ray diffraction. The approach is used in a binary alloy containing 6000 ppm in weight of oxygen. It is concluded that the ordered compounds, which are observed after a recrystallization heat treatment, do not have the expected Ti6O stoichiometry but have a composition close to the nominal concentration. Oxygen ordering proceeds, therefore, before oxygen partitioning in titanium.

引用

页数：12

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