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 discusses the central aspect of anisotropy modeling, namely, texture measurement and analysis. It provides an overview of the methods available for characterizing crystallographic preferred orientation, or texture, in polycrystalline materials. These methods include pole figure measurement and electron backscatter diffraction (EBSD). The article describes the process considerations for pole figure measurement, including X-ray diffraction, neutron diffraction, stereographic projection, equal area projection, graphing pole figures, typical textures, and orientation distribution. It also deals with the limitations and challenges associated with the EBSD, and applications of the diffraction.

Grain boundaries are interfaces between crystallites of the same phase but different crystallographic orientation. They can be characterized as being low angle or high angle. This article discusses the measurements of grain-boundary energy with a brief summary of different schemes for measuring grain-boundary surface tension. The atomistic simulations of grain-boundary energy, measurement of grain-boundary migration and the techniques used to monitor grain-boundary migration are reviewed. Several considerations and effects influencing the computation of grain-boundary mobility are also discussed.

This article describes eight stages of the atomistic film growth: vaporization of the material, transport of the material to the substrate, condensation and nucleation of the atoms, nuclei growth, interface formation, film growth, changes in structure during the deposition, and postdeposition changes. It also discusses the effects and causes of growth-related properties of films deposited by physical vapor deposition processes, including residual film stress, density, and adhesion.