Journal of Materials Science

, Volume 40, Issue 12, pp 3169–3176 | Cite as

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ 11′ {332} tilt grain boundary

  • O. Hardouin Duparc
  • A. Larere
  • B. Lezzar
  • O. Khalfallah
  • V. Paidar


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).


Polymer Copper Gold Nickel Transmission Electronic Microscopy 
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Copyright information

© Springer Science + Business Media, Inc. 2005

Authors and Affiliations

  • O. Hardouin Duparc
    • 1
  • A. Larere
    • 2
  • B. Lezzar
    • 3
  • O. Khalfallah
    • 3
  • V. Paidar
    • 4
  1. 1.LSI, °ecole PolytechniqueFrance
  2. 2.LEMHE, Université de Paris XIFrance
  3. 3.LMDM, Mentouri UniversityConstantineAlgeria
  4. 4.Institute of PhysicsAcademy of SciencesPragueCzech Republic

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