Heat capacities of the two-state model as a function of temperature obtained for different sampling times in heating schedules.
Microcanonical temperature in the two-state model as a function of total energy obtained for different sampling times and parameter set (I). (a) Heating schedules. (b) Cooling schedules.
Microcanonical temperature in the two-state model with parameter set (II), as a function of total energy, obtained for different sampling in heating schedules. The inset shows the variations of the fold ratio obtained from the energy and temperature differences that define the turning points of the bend, , and .
Variations of (a) the melting temperature and (b) latent heat of melting for the two-state model as a function of sampling time in heating schedules. Several curves are shown for different choices of the parameters and .
Heat capacity curves for the cluster obtained with heating schedules; (a) for various sampling times using a fixed number of temperature steps and (b) for various numbers of temperature steps at a fixed sampling time .
Heat capacity curves for the cluster obtained with heating schedules with 100 temperature steps and different total sampling times. In the inset the normalized probability of remaining in the lowest-energy isomer is shown as a function of time for different canonical temperatures.
Variations of the error in the computed transition temperature as a function of sampling time. (a) Two-state models with sets (I) and (II) of parameters. (b) LJ clusters. The scaling behaviors are emphasized with dashed lines.
Article metrics loading...
Full text loading...