Free-volume autocorrelation function

To measure such time scales, the free-volume autocorrelation function CV can be calculated.75 This quantity, defined as,... 

Figure 10 (a) Free-volume persistence time extracted from the free-volume autocorrelation function (Eq. [9]) for an attractive colloidal fluid as a function of the strength of the interparticle attraction, (b) Comparison of colloidal self-diffusivity (closed symbols) with that estimated using the free-volume scaling relationship D — A(v )2 /tf discussed in the text (open symbols). Data taken from Ref. 75. 

The study of glass transition is an important subject in current research, and simulations may well be suited to help our understanding of the phenomenon. An example is the application of Monte Carlo techniques by Wittman, Kremer, and Binder.The authors employed a lattice method in two dimensions to model the system. The glass transition was determined by monitoring the free volume changes as well as isothermal compressibility. The glasslike behavior was determined by evaluating the bond autocorrelation function. The authors found that both the dynamic polymer structure factor and the orienta-... 

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