NickelMaghrebV1, Main, Exploration, bibRecord, 000177

The effect of vanadium impurity on Nickel Σ5(012) grain boundary

Identifieur interne : 000177 ( Main/Exploration ); précédent : 000176; suivant : 000178

The effect of vanadium impurity on Nickel Σ5(012) grain boundary

Auteurs : El Tayeb Bentria [Algérie] ; Ibn Khaldoun Lefkaier [Algérie] ; Bachir Bentria [Algérie]

Source :

Materials science & engineering. A, Structural materials : properties, microstructure and processing [ 0921-5093 ] ; 2013.

RBID : Pascal:13-0219730

Descripteurs français

Pascal (Inist)
- Impureté substitutionnelle, Nickel, Joint grain, Défaut cristallin, Méthode fonctionnelle densité, Etude théorique, Microstructure, Pseudopotentiel à norme conservée, Ségrégation, Interstitiel, Résistance traction, Durcissement, Renforcement mécanique, 6172M, 7115M, 6475, 8140J.
Wicri :
- topic : Nickel.

English descriptors

KwdEn :
- Crystal defects, Density functional method, Grain boundaries, Hardening, Interstitials, Microstructure, Nickel, Norm conserving pseudopotential, Segregation, Strengthening, Substitutional impurities, Tensile strength, Theoretical study.

Abstract

We report first-principle density functional theory investigation on the effect of vanadium impurity in the nickel Σ5(012) symmetrical tilt grain boundary (GB) using Norm-conserving pseudopotentials. We first calculate segregation energies for interstitial and different substitutional sites in order to determine site preference and the segregation properties of V in the Ni GB. It is found that vanadium atoms prefer to segregate in the substantial sites of the GB. Furthermore, the calculations of tensile strength for different V positions in Ni Σ5(012) GB show an enhancement of the maximum tensile strength σ_Max up to 17%, indicating that vanadium acts as a strengthening element in Ni GB, which is in agreement with experimental observations.

Affiliations:

Algérie

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Le document en format XML

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<front><div type="abstract" xml:lang="en">We report first-principle density functional theory investigation on the effect of vanadium impurity in the nickel Σ5(012) symmetrical tilt grain boundary (GB) using Norm-conserving pseudopotentials. We first calculate segregation energies for interstitial and different substitutional sites in order to determine site preference and the segregation properties of V in the Ni GB. It is found that vanadium atoms prefer to segregate in the substantial sites of the GB. Furthermore, the calculations of tensile strength for different V positions in Ni Σ5(012) GB show an enhancement of the maximum tensile strength σ<sub>Max</sub>
 up to 17%, indicating that vanadium acts as a strengthening element in Ni GB, which is in agreement with experimental observations.</div>
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The effect of vanadium impurity on Nickel Σ5(012) grain boundary

The effect of vanadium impurity on Nickel Σ5(012) grain boundary

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri