Inherent Structures and Kauzmann Temperature of Confined Liquids

Abstract

Calculations of the thermodynamical properties of a supercooled liquid confined in a matrix are performed with an inherent structure analysis. The liquid entropy is computed by means of a thermodynamical integration procedure. The contributions to the free energy of the liquid can be decoupled also in confinement in the configurational and the vibrational part. We show that the vibrational entropy can be calculated in the harmonic approximation as in the bulk case. The Kauzmann temperature of the confined system is estimated from the behavior of the configurational entropy.

arXiv comment5 pages, 4 figures. To be published in Phys. Rev. E

References in corpus (20)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Scaling behavior in the $\beta$-relaxation regime of a supercooled Lennard-Jones mixture
• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
• The relationship between fragility, configurational entropy and the potential energy landscape of glass forming liquids
• On the Adam-Gibbs-Wolynes scenario for the viscosity increase in glasses
• Inherent Structure Entropy of Supercooled Liquids
• Thermodynamics of glasses: a first principle computation
• Configurational Entropy and Diffusivity of Supercooled Water
• Saddles in the energy landscape probed by supercooled liquids
• Time and length scales in supercooled liquids
• A first principle computation of the thermodynamics of glasses
• The potential energy landscape of a model glass former: thermodynamics, anharmonicities, and finite size effects
• Glass transition and layering effects in confined water: a computer simulation study
• On the stationary points of the TAP free energy
• Supercooled confined water and the Mode Coupling crossover temperature
• Liquid-glass transition of a fluid confined in a disordered porous matrix: A mode-coupling theory
• The thermodynamical liquid-glass transition in a Lennard-Jones binary mixture
• Lennard-Jones binary mixture: a thermodynamical approach to glass transition
• Slow dynamics of a confined supercooled binary mixture: direct space analysis
• Slow dynamics of a confined supercooled binary mixture II: Q space analysis

Cited by in corpus (2)

• Non-Gaussian energy landscape of a simple model for strong network-forming liquids: accurate evaluation of the configurational entropy
• Mode coupling behavior of a Lennard Jones binary mixture: a comparison between bulk and confined phases