4.2 Article

Phase diagram of aluminum from EAM potentials

Journal

EUROPEAN PHYSICAL JOURNAL B
Volume 86, Issue 7, Pages -

Publisher

SPRINGER
DOI: 10.1140/epjb/e2013-40178-0

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Funding

  1. Canadian Natural Sciences and Engineering Research Council (NSERC)
  2. Fonds de Recherche du Quebec - Nature et Technologies (FRQ-NT)

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The binodal and spinodal lines of aluminum have been calculated using Monte Carlo simulations in the Gibbs and NPT ensembles. The interactions among particles are described in terms of two embeddedatom-method potentials, viz. Zope and Mishin and Ercolessi and Adams. We provide estimates for the critical properties of the material and compare them with both experimental values and computational predictions from other models.

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