This article discusses the fundamental aspects of phase-field microstructure modeling. It describes the evolution of microstructure modeling, including nucleation, growth, and coarsening. The article reviews two approaches used in the modeling nucleation of microstructure: the Langevin force approach and explicit nucleation algorithm. Calculation of activation energy and critical nucleus configuration is discussed. The article presents the deterministic phase-field kinetic equations for modeling growth and coarsening of microstructure. It also describes the material-specific model inputs, chemical free energy and kinetic coefficients, for phase-field microstructure modeling. The article provides four examples that illustrate some aspects of phase-field modeling.

This article describes the results obtained by Volmer, Weber, Farkas, Becker, and Doring, which constitute the classical nucleation theory. These results are the predictions of the precipitate size distribution, steady-state nucleation rate, and incubation time. The article reviews a nucleating system as a homogeneous phase using the classical nucleation theory, along with heterophase fluctuations that led to the formation of precipitates. It discusses the gas cluster dynamics using the kinetic approach to describe nucleation. The article presents key parameters, such as cluster condensation and evaporation rates, to describe the time evolution of the system. The predictions and extensions of the classical nucleation theory are discussed. The article also provides the limitations of classical nucleation theories in cluster dynamics.

This article focuses on transport phenomena and modeling approaches that are specific to vapor-phase processes (VPP). It discusses the VPP for the synthesis of materials. The article reviews the basic notions of molecular collisions and gas flows, and presents transport equations. It describes the modeling of vapor-surface interactions and kinetics of hetereogeneous processes as well as the modeling and kinetics of homogenous reactions in chemical vapor deposition (CVD). The article provides information on the various stages of developing models for numerical simulation of the transport phenomena in continuous media and transition regime flows of VPP. It explains the methods used for molecular modeling in computational materials science. The article also presents examples that illustrate multiscale simulations of CVD or PVD processes and examples that focus on sputtering deposition and reactive or ion beam etching.

This article provides a brief introduction to neutron diffraction as well as its state-of-the-art capabilities. The discussion covers the general principles of the neutron, neutron-scattering theory, generation of neutrons, types of incident radiation, and purposes of single-crystal neutron diffraction, powder diffraction, and pair distribution function analysis. The relationship between detector space and reciprocal space are presented. Various factors involved in sample preparation, calibration, and techniques used for analyzing diffraction data are described. The article also presents application examples and possible future developments in neutron diffraction.

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.

Ceramic materials serve important insulative, capacitive, conductive, resistive, sensor, electrooptic, and magnetic functions in a wide variety of electrical and electronic circuitry. This article focuses on various applications of advanced ceramics in both electric power and electronics industry, namely, dielectric, piezoelectric, ferroelectric, sensing, magnetic and superconducting devices.