Interfacial contribution to cluster free energy

The Monte Carlo technique of “overlapping distributions” is used for computing directly the free energy difference F_{N + 1} ?F_N between two clusters containing respectively N + 1 and N solute atoms, in the square and the simple cubic Ising model with nearest neighbour interactions. High accuracy results are obtained within reasonable computer times. The capillarity approximation gives a good fit to the data, provided the following is taken into account: (i) the specific bulk and surface energies are given their macroscopic equilibrium values; (ii) a curvature correction to the surface specific energy has to be introduced: it is positive for two dimensions and negative for three dimensions; (iii) a size independent term is to be added in three dimensions; it may be viewed as a corner contribution; (iv) the coefficient of the logarithmic term is given its more recent value. When introduced in the master equation which describes the kinetics of the cluster population, within the simplifying assumptions of the classical nucleation theory, good agreement is found, for the shapes of the cluster size distributions, with the numerical experiments on the kinetic Ising model in two dimensions. However, the time scales of both computations do not match linearly. Possible reasons for this discrepancy are discussed.