On glass formation thermodynamics: Enthalpy vs. Entropy

Thermodynamics of Enthalpy Relaxation and Hole Formation of Polymer Glasses

Glass formation and thermodynamics of supercooled monatomic liquids.

Atomic mechanism of glass formation of a supercooled simple monatomic liquid with Lennard-Jones-Gauss (LJG) interatomic potential is studied by molecular dynamics (MD) simulation. Supercooled and glassy states are obtained by cooling from the melt. Glassy state obtained at low temperatures is annealed for very long time, on the order of microsecond, and we find that glassy state remains unchang...

Entropy-enthalpy compensation: fact or artifact?

The phenomenon of entropy-enthalpy (S-H) compensation is widely invoked as an explanatory principle in thermodynamic analyses of proteins, ligands, and nucleic acids. It has been suggested that this compensation is an intrinsic property of either complex, fluctuating, or aqueous systems. The questions examined here are whether the observed compensation is extra-thermodynamic (i.e., reflects any...

A fundamental view of enthalpy–entropy compensation

On Entropy Production in Informational Statistical Thermodynamics

We consider the question of the existence of a generalized H-theorem in the context of the variational method in the information-theoretical approach that generates the nonequilibrium statistical operator formalism. After brie y reviewing how the latter provides mechano-statistical foundations for phenomenological irreversible thermodynamics, the socalled Informational Statistical Thermodynamic...