AI Article Synopsis
- A new Monte Carlo method was used to simulate a glass-forming liquid, revealing a sharp heat capacity peak at a lower temperature than previously observed.
- The study found that the average inherent-structure energy is significantly lower at temperatures below mode coupling compared to existing literature.
- The calculated entropy curves for supercooled liquids and disordered solids remain parallel at low temperatures, suggesting the Kauzmann temperature may not exist in this particular glass-forming mixture.
Article Abstract
A newly proposed Monte Carlo formalism has been used to simulate a glass-forming liquid above and below the glass transition temperature. The heat capacity exhibits a sharp peak at a temperature lower than that reported from extensive molecular dynamics simulations. Its height is larger than that reported earlier. At temperatures below mode coupling, the average inherent-structure energy of the configurations generated in this work is significantly lower than that reported in the literature. The entropy of the supercooled liquid is calculated directly from our simulations and that of a disordered solid is calculated by a normal-mode analysis. We find that at low temperatures these two entropy curves become essentially parallel. They do not intersect each other, raising questions about the existence of a Kauzmann temperature in this glass-forming mixture.
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| http://dx.doi.org/10.1103/PhysRevLett.92.235701 | DOI Listing |
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