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Issue 42, 2015
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Phase diagrams of nanoalloys: influence of size and morphology

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The size dependence of the phase diagram of nanoalloys with a tendency to phase separate is investigated. As the critical temperature may depend on both the size and the morphology of the nanoparticles, we consider nanowires with different cross-sections and also nanotubes with different circumferences. The variation of the critical temperature with the length of all these nanoparticles is systematically studied using Monte Carlo simulations based on an Ising model. A non-monotonic variation of the critical temperature is observed as a function of the length. The maximal value of the critical temperature is reached when the length and the circumference of the nanoparticles are similar. The phase diagrams obtained within two thermodynamic ensembles (the canonical ensemble and the pseudo grand canonical ensemble) are compared and discussed in terms of the behaviour of a single particle or an assembly of nanoparticles in mutual equilibrium with each other.

Graphical abstract: Phase diagrams of nanoalloys: influence of size and morphology

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The article was received on 18 Mar 2015, accepted on 13 May 2015 and first published on 21 May 2015

Article type: Paper
DOI: 10.1039/C5CP01593F
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Citation: Phys. Chem. Chem. Phys., 2015,17, 28347-28353

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    Phase diagrams of nanoalloys: influence of size and morphology

    F. Berthier, E. Maras and B. Legrand, Phys. Chem. Chem. Phys., 2015, 17, 28347
    DOI: 10.1039/C5CP01593F

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