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 examines how cellular automaton (CA) can be applied to the simulation of static and dynamic recrystallization. It describes the steps involved in the CA simulation of recrystallization. These include defining the CA framework, generating the initial microstructure, distributing nuclei of recrystallized grains, growing the recrystallized grains, and updating the dislocation density. The article concludes with information on the developments in CA simulations.

This article discusses a set of experimental and computational studies aimed at understanding the effect of various processing parameters on the extent of burr and other defect formation during sheet edge-shearing and slitting processes. It describes the development of experimentally validated finite-element models for analyzing the classes of shearing processes. The article also discusses the use of microstructural characterization with stereology to render three-dimensional volumetric parameters. It concludes with information on the numerical simulation of an edge-shearing process, along with sensitivity studies with respect to process and tool parameters.

Neural-network (NN) modeling is most suitable for simulations of correlations that are hard to describe or cannot be accurately predicted by physical models. This article describes the principles and procedures of NN modeling. It discusses the use of NN modeling in general organization of software and graphical user interfaces. The article also provides information on the ways to improve and upgrade the NN models.

The misorientation of a boundary of a growing grain is defined not only by its crystallography but also by the crystallography of the grain into which it is growing. This article focuses on the Monte Carlo Potts model that is typically used to model grain growth, Zener-Smith pinning, abnormal grain growth, and recrystallization. It introduces the basics of the model, providing details of the dynamics, simulation variables, boundary energy, boundary mobility, pinning systems, and stored energy. The article explains how to incorporate experimental parameters and how to validate the model by comparing the observed behavior quantitatively with theory. The industrial applications of the model are also discussed. The article also provides a wide selection of the algorithms for implementing the Potts model, such as boundary-site models, n -fold way models, and parallel models, which are needed to simulate large-scale industrial applications.

Modeling of structure formation in casting of alloys involves several length scales, ranging from the atomic level to macroscopic scale. Intermediate length scales are used to define the microstructure of the growing phases and the grain structure. This article discusses the principles and applications of the phase field method and the cellular automaton method for modeling the direct evolution of structure at the intermediate length scales, where transport phenomena govern the spatial and temporal evolution of the structure that involves nucleation and growth.

This article focuses on the intermediate length scales, where transport phenomena govern the spatial and temporal evolution of a structure. It presents the cellular automaton (CA) and phase field (PF) methods that represent the state of the art for modeling macrostructure and microstructure. The article describes the principles of the PF method and provides information on the applications of the PF method. The CA model is introduced as a computationally efficient method to predict grain structures in castings using the mesoscopic scale of individual grains. The article discusses the coupling of the CA to macroscopic calculation of heat, flow, and mass transfers in castings and applications to realistic casting conditions.

The purposes and methods of fatigue modeling and simulation in high-cycle fatigue (HCF) regime are to design either failsafe components or components with a finite life and to quantify remaining life of components with pre-existing cracks using fracture mechanics, with the intent of monitoring via an inspection scheme. This article begins with a discussion on the stages of the fatigue damage process. It describes hierarchical multistage fatigue modeling and several key points regarding the physics of crack nucleation and microstructurally small crack propagation in the HCF regime. The article provides a description of the microstructure-sensitive modeling to model fatigue of several classes of advanced engineering alloys. It describes the various modeling and design processes designed against fatigue crack initiation. The article concludes with a discussion on the challenges in microstructure-sensitive fatigue modeling.

This article describes the mechanisms and characteristics of heat transfer in the quenching of steel. This article describes the characterization of boiling heat transfer, including pool boiling, forced convective boiling, and rewetting, which plays a key role in defining the heat-extraction characteristics of a liquid quenchant. It provides information on heat generated microstructural field evolution and information on the analysis and characterization of heat transfer boundary conditions.

This article provides a discussion on probes for laboratory tests and resultant curves of industrial quenching processes. It describes the scope of the tests, and the calculation of heat-transfer coefficient (HTC) based on the tests. The article highlights the differences between the laboratory tests and characterization of industrial quenching processes. It reviews the importance of initial heat-flux density and first critical heat-flux density. The theoretical principle behind and the purpose of the temperature gradient method are discussed. The article provides information on the design of the probe, heat-extraction dynamics, and influence of wetting kinematics. It also includes discussions on the simplified 1-D temperature-distribution model, calculation of the HTC, and the finite-volume method for the heat-conduction equation.

There is a need for models that predict the percentage and size of porosity formed during solidification in order to effectively predict mechanical properties. This article provides an overview of equations that govern pore formation. It reviews the four classes of models, highlighting both the benefits and drawbacks of each class. These classes include criteria functions, analytical models, continuum models, and kinetic models. The article also tabulates the criteria functions for porosity prediction.

This article examines the critical features of four key areas of modeling transport phenomena associated with casting processes. These include heat and species transport in a metal alloy, flow of the liquid metal, tracking of the free metal-gas surface, and inducement of metal flow via electromagnetic fields. Conservation equations that represent important physical phenomena during casting processes are presented. The article provides a discussion on how the physical phenomena can be solved. It provides information on a well-established array of general and specific computational tools that can be readily applied to modeling casting processes. The article also summarizes the key features of the conservation equations in these tools.

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 summarizes the general features of microstructure evolution during the thermomechanical processing (TMP) of nickel-base superalloys and the challenges posed by the modeling of such phenomena. It describes the fundamentals and implementations of various modeling methodologies. These include JMAK (Avrami) models, topological models, and mesoscale physics-based models.

This article demonstrates the depth and breadth of commercial and third-party software packages available to simulate metals processes. It provides a representation of the spectrum of applications from simulation of atomic-level effects to manufacturing optimization. The article tabulates the software name, function or process applications, vendor or developer, and website information.

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.

Corrosion modeling is an essential benchmarking element for the selection and life prediction associated with the introduction of new materials or processes. These models are most naturally expressed in terms of differential equations or in other nonexplicit forms of mathematics. This article discusses the principles and applications of various models developed for understanding the corrosion mechanism. These models include mechanistic models, including Pourbaix model, thermophysical module, electrochemical module, and ion association model; risk-based models; and knowledge models. The risk-based model and knowledge models are illustrated with examples for better understanding. The article also describes boundary-element modeling and pitting corrosion fatigue models.

This article discusses the numerical simulation of the forming of aluminum alloy sheet metals. The macroscopic and microscopic aspects of the plastic behavior of aluminum alloys are reviewed. The article presents constitutive equations suitable for the description of aluminum alloy sheets. It explains testing procedures and analysis methods that are used to measure the relevant data needed to identify the material coefficients. The article describes the various formulations of finite element methods used in sheet metal forming process simulations. Stress-integration procedures for both continuum and crystal-plasticity mechanics are also discussed. The article also provides various examples that illustrate the simulation of aluminum sheet forming.