Effective surface tension for small binary clusters by Monte Carlo simulation.

Autor: Kiefer, J., Hale, B. N.
Předmět:
Zdroj: AIP Conference Proceedings; 2000, Vol. 534 Issue 1, p260, 4p, 2 Black and White Photographs, 1 Chart, 1 Graph
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index