Hybrid Monte Carlo simulation of a glass-forming binary mixture

We propose a different, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this algorithm to simulate a standard model of a glass-forming binary mixture above and below the so-called mode-coupling temperature T-MCT. We find that an ansatz that was used previously to extrapolate thermodynamic quantities to temperatures below T-MCT breaks down in the vicinity of the mode-coupling temperature. We also find that the Adam-Gibbs relations D proportional to exp(-a/TSc) and tau proportional to exp(b/TSc), which connect the diffusion coefficient D and the relaxation time tau with the configurational entropy S-c, are valid for all temperatures for which the configurational and vibrational contributions to the free energy decouple.