Thermodynamics and structure of single- and two-phase yttria-alumina glasses

Article Abstract:

A variety of nonequilibrium phenomena, including glass formation, metastable crystallization, and polymorphism in the undercooled liquid, is displayed by the yttria-alumina (Y2O3-Al2O3; YA) pseudo-binary system. The formation mechanism and coordination of polyamorphic YA glasses is discussed, in the context of the structural and thermodynamic properties.

Science & research, All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Yttrium & Compounds, Thermal properties, Mechanical properties, Yttrium compounds

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Solvation free energy of polar and nonpolar molecules in water: an extended interaction site integral equation theory in three dimensions

Article Abstract:

New developments of the 3d-RISM-HNC integral equation for describing the solvation properties of complex molecules in water are discussed. A well-calibrated 3d-RISM-HNC integral equation has the potential to act as a valuable intermediate approach.

Measurement, Solvation

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Free energy simulations: thermodynamic reversibility and variability

Article Abstract:

Research is presented describing the use of variable and reversible thermodynamics to study the simulation of free energy.

Gibbs' free energy

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