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We applied an efficient methodology to separate vibrational andconfigurational entropies in bulk metallic glasses by means of moleculardynamics simulation based on a combination of non-equilibrium adiabaticswitching and reversible scaling methods. This approach involves calculatingthe vibrational free energy using the Einstein crystal as a reference for thesolid phase and the recently proposed Uhlenbeck-Ford model for the fluid phase.This methodology has the advantage that it does not require a crystalline solidphase for separating the entropies. Therefore, in principle, it is applicableto any material, regardless of whether or not it has a crystalline phase. Usingthis methodology, we separate the vibrational and configurational entropies oftwo metallic glasses with different fragilities at zero external pressure,namely, Cu$_{50}$Zr$_{50}$ and Cu$_{46}$Zr$_{46}$Al$_{8}$. We find that theresults for the former alloy are in quite reasonable agreement with recentexperimental work by Smith \textit{et al.}[H. L. Smith \textit{et al.}, Nat.Phys. \textbf{13}, 900 (2017)]. We also find the configurational entropy of theglass containing Al to be 70\% larger than that of the other glass. Our resultssuggest that, although other factors may be at play, the configurationalentropy can be used to investigate the effect of the addition of aminor-alloying element on the glass-forming ability of bulk metallic glasses.

Splitting up entropy into vibrational and configurational contributions in bulk metallic glasses: A thermodynamic approach