This article addresses two issues on thermodynamics, namely, the calculation of solubility lines and the calculation of the activity of various components. It discusses alloying elements in terms of their influence on the activity of carbon. The article describes the desulfurization and deoxidation of cast iron and steel. It illustrates the thermodynamics of the iron-carbon system and the iron-silicon system. The article examines solubility and saturation degrees of carbon in multicomponent iron-carbon systems. One of the main applications of the thermodynamics of the iron-carbon system is the calculation of structure-composition correlations. The article concludes with information on the structural diagrams for cast iron: the Maurer diagram and the Laplanche diagram.

This article provides accessible information on the thermodynamic properties of liquid aluminum-base and copper-base alloys with the help of phase diagrams. It contains tables that compile the thermodynamic data in the form of activities, activity coefficients, partial molar thermal properties, and integral molar properties for selected aluminum-based and copper-based alloys.

This article presents the background to the CALculation of PHAse Diagrams (CALPHAD) method, explaining how it works, and how it can be applied in industrial practice. The extension of CALPHAD methods as a core basis for the modeling of generalized material properties is explored. It informs that one of the aims of CALPHAD methods has been to calculate phase equilibria in the complex, multicomponent alloys that are used regularly by industry. The article discusses the application of CALPHAD calculations to industrial alloys. Modeling of general material properties, such as thermophysical and physical properties, temperature- and strain-rate-dependent mechanical properties, properties for use in the modeling of quench distortion, and properties for use in solidification modeling, is also reviewed. The article also describes the linking of thermodynamic, kinetic, and material property models.

This article is a compilation of ternary alloy phase diagrams for which copper (Cu) is the first-named element in the ternary system. The other elements are Fe, Mn, Ni, Pb, S, Sb, Si, Sn, Ti and Zn. The diagrams are presented with element compositions in weight percent. The article includes 42 phase diagrams (liquidus projection, solidus projection, isopleths, isothermal section and vertical section).

This article discusses the application of thermodynamic in the form of phase diagrams for visually representing the state of a material and for understanding the solidification of alloys. It presents the derivation of the relationship between the Gibbs energy functions and phase diagrams, which forms the basis for the calculation of phase diagrams (CALPHAD) method. The article also discusses the calculation of phase diagrams and solidification by using the Scheil-Gulliver equation.

This article introduces the fundamental concepts of chemical thermodynamics and chemical kinetics in describing presolidification phenomena. For metallurgical systems, the most important thermodynamic variables are enthalpy and Gibbs free energy. A qualitative demonstration of the interrelationship between phase diagrams and thermodynamics is presented. The article discusses processes that generally limit the rates of chemical processes. These include nucleation of the product phase and interphase mass transport. The article provides a discussion on the dissolution of alloy with melting point lower than bath temperature and dissolution of alloy that is solid at bath temperatures.

This article is a compilation of ternary alloy phase diagrams for which aluminum (Al) is the first-named element in the ternary system. The other elements are C, Co, Cr, Cu, Fe, Ga, Li, Mg, Mn, Mo, Nb, Ni, Sb, Si, Ti, U, V and Zn. The diagrams are presented with element compositions in weight percent. The article includes 136 phase diagrams (liquidus projection, solidus projection, isothermal section, vertical section, and solvus projection).

This article is a comprehensive collection of the thermodynamic equations and property relations of the first and second laws of thermodynamics that are applicable to closed-system consisting of several homogeneous and heterogeneous phases.

This article focuses on the industrial applications of phase diagrams. It presents examples to illustrate how a multicomponent phase diagram calculation can be readily useful for industrial applications. The article demonstrates how the integration of a phase diagram calculation with kinetic and microstructural evolution models greatly enhances the power of the CALPHAD approach in materials design and processing development. It also discusses the limitations of the CALPHAD approach.

Electronic structure methods based on the density functional theory (DFT) are used as a powerful tool for assessing the mechanical thermodynamic and defect properties of metal alloys. This article presents the origins of the electronic structure methods and their strengths and limitations. It describes the basic procedures for calculating essential structural properties in metal alloys. The article reviews the approximations and computational details of the pseudopotential plane wave methods used in metal systems. It provides information on the applications of DFT methods in metal alloy systems. The article discusses the calculations of a variety of structural, thermodynamic, and defect properties, with particular emphasis on structural metal alloys and their derivatives.

A phase diagram is a graphical representation of the phase equilibria of materials in terms of temperature, composition, and pressure. This article provides an overview on the background of phase diagram calculation software. It presents an algorithm to calculate binary stable phase equilibria. The article summarizes a rapid method to obtain a thermodynamic description of a multicomponent system. It also provides information on thermodynamically calculated phase diagrams.