First-principles study of diffusion and interactions of vacancies and hydrogen in hcp-titanium
- Author
- CONNETABLE, Damien1 ; HUEZ, Julitte1 ; ANDRIEU, Eric1 ; MIJOULE, Claude1
[1] CIRIMAT UMR 5085, CNRS-INP-UPS, École Nationale d'Ingénieurs en Arts Chimiques et Technologiques (ENSIACET) 4, Allée Émile Monso, BP 44362, 31030 Toulouse, France - Source
Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 40 ; 405401.1-405401.14 ; ref : 57 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Addition hydrogène Approximation gradient généralisé Bilacune Chaleur formation Densité charge Densité lacune Energie activation Mouvement défaut cristallin Méthode fonctionnelle densité Paire lacune impureté Programme VASP Réseau hexagonal compact Site impureté Titane Ti
- Keyword (en)
- Hydrogen additions Generalized gradient approximation Divacancy Heat of formation Charge density Vacancy density Activation energy Crystal defect motion Density functional method Vacancy impurity pair Vienna ab initio simulation package HCP lattices Impurity site Titanium
- Keyword (es)
- Divacante Densidad vacuidad Movimiento defecto cristalino Par laguna impureza Programa VASP Sitio impureza
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography / 001B60A72 Defects and impurities in crystals; microstructure / 001B60A72J Point defects (vacancies, interstitials, color centers, etc.) and defect clusters
- Discipline
- Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 24604275
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1088/0953-8984/23/40/405401 
https://dx.doi.org/10.1088/0953-8984/23/40/405401
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