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Relationship between thermodynamics and dynamics of supercooled liquids

  • University of Texas at Austin

Research output: Contribution to journalArticlepeer-review

114 Scopus citations

Abstract

Relationship between thermodynamics and dynamics of supercooled liquids was investigated. Experiments and computer simulations reveal a quantitative link between dynamics and configurational entropy in supercooled liquids. Excess entropy, a fundamental thermodynamic quantity that captures the correlations between particles due to their finite volumes and mutual interactions, does capture the diffusivity of equilibrium fluids. Simulations for a broad range of thermodynamic conditions were performed, where the model displays pronounced increase in self-diffusivity upon isothermal compression. The results presented evidence that supercooling a fluid modifies its diffusivity, suggesting that dynamics, from ideal gas to glass, is related to a single, standard therodynamic quantity.

Original languageEnglish
Article number076102
JournalJournal of Chemical Physics
Volume125
Issue number7
DOIs
StatePublished - 2006

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