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Solidlike clusters free energy

Fig. 10. Calculated free energy barrier for homogeneous crystal nucleation of hard-sphere colloids. The results are shown for three values of the volume fraction. The drawn curves are fits to the CNT-expression Eq. (1). For the identification of solid like particles we used the techniques described before. The cutoff for the local environment was set to Vq = 1.4

$Fig. 10. Calculated free energy barrier for homogeneous crystal nucleation of hard-sphere colloids. The results are shown for three values of the volume fraction. The drawn curves are fits to the CNT-expression Eq. (1). For the identification of solid like particles we used the techniques described before. The cutoff for the local environment was set to Vq = 1.4<r, the threshold for the dot product q(,q( = 20 and the threshold for the number of connections was set to 6. If two solidlike particles are less than 2a apart, where a is the diameter of a particle, then they are counted as belonging to the same cluster. The total simulation was spht up into a number of smaller simulations that were restricted to a sequence of narrow, but overlapping, windows of n values. The minimum of the bias potential was placed in steps of tens, i.e no = 10, 20, 30,... In addition we applied the parallel tempering scheme of Geyer and Thompson [16] to exchange clusters between adjacent windows. All simulations were carried out at constant pressure and with the total number of particles (sohd plus liquid) fixed. For every window, the simulations took at least 1x10 MC moves per particle, excluding equilibration. To eliminate noticeable finite-size effects, we simulated systems containing 3375 hard spheres. We also used a combined Verlet and Cell list to speed up the simulations...$

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