This article describes the integration of thermodynamic modeling, mobility database, and phase-transformation crystallography into phase-field modeling and its combination with transformation texture modeling to predict phase equilibrium, phase transformation, microstructure evolution, and transformation texture development during heat treatment of multicomponent alpha/beta and beta titanium alloys. It includes quantitative description of Burgers orientation relationship and path, discussion of lattice correspondence between the alpha and beta phases, and determination of the total number of Burgers correspondence variants and orientation variants. The article also includes calculation of the transformation strain with contributions from defect structures developed at alpha/beta interfaces as a precipitates grow in size. In the CALculation of PHAse Diagram (CALPHAD) framework, the Gibbs free energies and atomic mobilities are established as functions of temperature, pressure, and composition and serve directly as key inputs of any microstructure modeling. The article presents examples of the integrated computation tool set in simulating microstructural evolution.

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 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.

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.