Effective surface tension for small binary clusters by Monte Carlo simulation

Kiefer, J.; Hale, B. N.
August 2000
AIP Conference Proceedings;2000, Vol. 534 Issue 1, p260
Academic Journal
Configurational Helmholtz free energy differences between n and n-1 Lennard-Jones unary and binary clusters are calculated using the Bennett-Metropolis Monte Carlo technique. When plotted versus n[sup -1/3] the slope of the energy differences yields an effective surface tension, σ. When plotted in a scaled form, the slopes for both the unary and binary clusters display the same excess entropy/k[sub B] per atom, Ω, as well as the same ln(ρ[sub liquid]/ρ[sub vapor]). Clusters as small as 5 atoms show bulk surface free energy properties.


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