NickelMaghrebV1, Main, Exploration, bibRecord, 000815

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ11' {332} tilt grain boundary

Identifieur interne : 000815 ( Main/Exploration ); précédent : 000814; suivant : 000816

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ11' {332} tilt grain boundary

Auteurs : O. Hardouin Duparc [France] ; A. Larere [France] ; B. Lezzar [Algérie] ; O. Khalfallah [Algérie] ; V. Paidar [République tchèque]

Source :

Journal of materials science [ 0022-2461 ] ; 2005.

RBID : Pascal:06-0035518

Descripteurs français

Pascal (Inist)
- Etude théorique, Joint grain, Joint flexion, Alliage binaire, Alliage dilué, Ségrégation joint grain, Ségrégation impureté, Simulation numérique, Energie, Structure atomique, 6172M.

English descriptors

KwdEn :
- Atomic structure, Binary alloys, Digital simulation, Dilute alloys, Energy, Grain boundaries, Grain boundary segregation, Impurity segregation, Theoretical study, Tilt boundaries.

Abstract

Intergranular segregation is studied in the limit of infinitely diluted solution for eight dilute metallic systems made of four face centred cubic metals, one transition metal, nickel, and three noble metals, copper, silver and gold. The grain boundary (GB) chosen is the symmetrical tilt Σ= 11' {332} (110) GB with its characteristic "zigzag" structural pattern as numerically calculated and experimentally observed by high resolution transmission electronic microscopy in nickel. The metallic interactions are modelled with Finnis-Sinclair like potentials. The atomic sites are characterised by a geometrical parameter defined with their exact Voronoï' volumes and the tensor of the stresses locally exerted. The {332} GB presents the most diversity of sites in these respects. The segregation energies are computed and analysed versus the only two 'driving forces' which can play a role in metallic intergranular segregation, viz. the elastic size effect and the excess cohesion energy effect. The elastic size effect calculated by the method of virtual impurity represents the main segregation driving force in most cases of the considered systems. It is worth noting however that the excess cohesion energy effect is important for non hydrostatic or compressive sites. It can even be predominant, as in the case of Ni(Cu).

Affiliations:

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Le document en format XML

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<front><div type="abstract" xml:lang="en">Intergranular segregation is studied in the limit of infinitely diluted solution for eight dilute metallic systems made of four face centred cubic metals, one transition metal, nickel, and three noble metals, copper, silver and gold. The grain boundary (GB) chosen is the symmetrical tilt Σ= 11' {332} (110) GB with its characteristic "zigzag" structural pattern as numerically calculated and experimentally observed by high resolution transmission electronic microscopy in nickel. The metallic interactions are modelled with Finnis-Sinclair like potentials. The atomic sites are characterised by a geometrical parameter defined with their exact Voronoï' volumes and the tensor of the stresses locally exerted. The {332} GB presents the most diversity of sites in these respects. The segregation energies are computed and analysed versus the only two 'driving forces' which can play a role in metallic intergranular segregation, viz. the elastic size effect and the excess cohesion energy effect. The elastic size effect calculated by the method of virtual impurity represents the main segregation driving force in most cases of the considered systems. It is worth noting however that the excess cohesion energy effect is important for non hydrostatic or compressive sites. It can even be predominant, as in the case of Ni(Cu).</div>
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Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ11' {332} tilt grain boundary

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ11' {332} tilt 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