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- W2088972682 abstract "Molecular dynamics simulations have been employed to explore the melting behavior of nanometer-sized Pb particles encapsulated in spherical and polyhedral fullerene cages of suitable size. The encapsulated particles, as well as the corresponding unsupported ones for comparison, were submitted to a gradual temperature rise. Encapsulation is shown to severely affect the thermodynamic behavior of Pb particles due to the different thermal expansion coefficients of particles and cages. This determines a volume constraint that induces a rise of pressure inside the fullerene cages, which operate for particles as rigid confinement systems. The result is that surface pre-melting and melting processes occur in encapsulated particles at temperatures higher than in unsupported ones." @default.
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- W2088972682 date "2011-05-01" @default.
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- W2088972682 title "Melting of Pb clusters encapsulated in large fullerenes" @default.
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- W2088972682 doi "https://doi.org/10.1016/j.chemphys.2011.03.016" @default.
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