Determination of onset temperature from the entropy for fragile to strong liquids
A Banerjee and MK Nandi and S Sastry and SM Bhattacharyya, JOURNAL OF CHEMICAL PHYSICS, 147, 024504 (2017).
In this paper, we establish a connection between the onset temperature of glassy dynamics with the change in the entropy for a wide range of model systems. We identify the crossing temperature of pair and excess entropies as the onset temperature. Below the onset temperature, the residual multiparticle entropy, the difference between excess and pair entropies, becomes positive. The positive entropy can be viewed as equivalent to the larger phase space exploration of the system. The new method of onset temperature prediction from entropy is less ambiguous, as it does not depend on any fitting parameter like the existing methods. Published by AIP Publishing.
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