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Maras, E., Berthier, F., Braems, I. & Legrand, B. (2012) Segregation in bimetallic nanowires: Size and thermodynamic ensemble effects. Phys. Rev. B, 86 054205.
Added by: Richard Baschera (2016-10-21 13:38:38) Last edited by: Richard Baschera (2016-10-21 14:01:58) |
| Type de référence: Article DOI: 10.1103/PhysRevB.86.054205 Numéro d'identification (ISBN etc.): 1098-0121 Clé BibTeX: Maras2012 Voir tous les détails bibliographiques  |
Catégories: HORSIMN Mots-clés: alloys, dependence, equilibrium, nanoalloys, nanoparticles, phase-transitions, temperature Créateurs: Berthier, Braems, Legrand, Maras Collection: Phys. Rev. B |
Consultations : 2/540
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We investigate the thermodynamics of bimetallic nanowires via a rigid lattice approach. This allows us to detail the behavior of edge and core sites of the chain in the case of an alloy that forms an ideal solution. The influence of chain length on segregation (i.e., the composition difference between core and edge sites) is analyzed in the semigrand canonical (sGC) and in the canonical ensembles. Segregation varies monotonically with chain length in both ensembles, being enhanced at low concentrations and diminishing at large ones. For intermediate concentrations, segregation increases with chain length in the sGC ensemble, whereas it decreases in the canonical ensemble. This illustrates that the concentration profiles differ in both ensembles, the effect being emphasized at smaller sizes.
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