Predicting the energy effects upon alloying is an important issue in many processes. Density of electrons at the boundary between two dissimilar cells and the chemical potential for electrons are the two main energy effects in bulk materials in the description of the enthalpies of alloy formation. Macroscopic-atom model, atomic scale, interface between cells, the interfacial energy and the contact-potential difference are used for modeling the alloying. After mixing atoms A and B, the volumes of A and B in the alloy will differ from the original volumes in the pure constituents which is formulated by means of the Miedema model and is called enthalpy of formation. Concept of heats of solution at infinite dilution of metal A into metal B is considered for calculation of solution enthalpy. Entropy of fusion of metals are used for modeling the transformation energies for semi-conducting and gaseous elements. Surface energy and enthalpy of atomization is calculated which is a function of surface area of an atom. Large negative values for the surface-segregation enthalpy lead to strong enrichment of atoms A at the surface of the alloy of A and B. With these research and the described formulae it is possible to calculate the most relevant heat effects on formation of binary alloys.
|Name||Reference Module in Materials Science and Materials Engineering|