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Free energy barriers to melting in atomic clusters
1994
Journal of Chemical Physics
We employ an order parameter approach to investigate melting in clusters bound by the Lennard-Jones potential containing 13, 55, and 147 atoms. We find well-defined Landau free energy barriers between solidlike and liquidlike states for the two larger clusters. A barrier is also revealed in an approximate analytical calculation using only information derived from the potential energy surface. For the two smaller clusters the order parameters are calculated for a large number of local minima.
doi:10.1063/1.467771
fatcat:uwhaijhpwzgfpe4aq3xdtxx2fy