Grain boundary segregation provides a method for stabilization of nanocrystalline metals – the selection of an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength, relative to mixing enthalpy, of a binary system determines the propensity for segregation stabilization. This relationsh...

Additives to polymeric materials can lead to appreciable changes in the rates of relaxation and reaction in these mixtures that can profoundly alter material properties and function. We develop a general theoretical framework for quantifying changes in the "high-frequency" relaxation dynamics of mixtures based on classical transition state theory, in conjunction with mathematical statements reg...

During the past year the activities of the Chemical Thermodynamics Data Center and the JANAF Thermochemical Tables project have been combined to obtain an extensive collection of thermodynamic information for many chemical species, including the elements. Currently available are extensive bibliographic collections and data files of heat capacity, enthalpy, vapor pressure, phase transitions, etc...

Microcalorimetry is an excellent method of determining the thermodynamics of ligand–protein binding in solution, because the signal being measured is the observed binding enthalpy (Db-obsH [Editors’ note: this term can also be written DHobs or DbHobs as seen elsewhere in this book]), which is free of any model assumptions. The affinity (DbG) can be computed from the shape of a binding curve, an...

In this paper we apply a new method to solve multi-phase fluid flow problem for 1D and 2D fluid systems. This method is developed at TNO and presented in [1] for spatially homogeneous systems. We call this method the numerical density-enthalpy method (or ρ-h method) because density-enthalpy phase diagrams (or ρ-h diagrams) play an important role in it. Finite elements are used for spatial discr...