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.

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.

The microstructure that develops during the solidification stage of cast iron largely influences the subsequent solid-state transformations and mechanical properties of the cast components. This article provides a brief introduction of methods that can be used for simulating the solidification microstructure of cast iron. Analytical as well as numerical models describing solidification phenomena at both macroscopic and microscopic scales are presented. The article introduces macroscopic transport equations and presents analytical microscopic models for solidification. These models include the dendrite growth models and the cooperative eutectic growth models. The article provides some solutions using numerical models to simulate the kinetics of microstructure formation in cast iron. It concludes with a discussion on cellular automaton (CA) technique that can handle complex topology changes and reproduce most of the solidification microstructure features observed experimentally.

Computational modeling assists in addressing the issues of solid/liquid interface dynamics at the microlevel. It also helps to visualize the grain length scale, fraction of phases, or even microstructure transitions through microstructure maps. This article provides a detailed account of the general capabilities of the various models that can generate microstructure maps and thus transform the computer into a dynamic microscope. These include standard transport models, phase-field models, Monte Carlo models, and cellular automaton models.

For a wide range of new or better products, solidification processing of metallic materials from the melt is a step of uppermost importance in the industrial production chain. This article discusses the casting and solidification of molten metallic alloy along with the application of low-gravity platforms and facilities for solidification processing. It provides a description of dendritic growth studies and electromagnetic levitation. The article concludes with information on the in situ and real-time monitoring of solidification processing.

This article reviews the general aspects of microstructure evolution during thermomechanical processing. The effect of thermomechanical processing on microstructure evolution is summarized to provide insight into the aspect of process design. The article provides information on hot working and key processes that control microstructure evolution: dynamic recovery, static recovery, recrystallization, and grain growth. Some of the key phenomenological descriptions of plastic flow and microstructure evolution are also summarized. The article concludes with a discussion on the modeling of microstructure evolution.

The systematic study of microstructural evolution during deformation under hot working conditions is important in controlling processing variables to achieve dimensional accuracy. This article explains the microstructural features that need to be modeled and provides an outline of the principles and achievements of each of the various microstructural models, including black-box modeling, gray-box modeling, white-box modeling, and hybrid modeling.

This article reviews the various aspects of the simulation of solidification microstructures and grain textures. It describes the grain structures and morphology of dendrites or eutectics that compose the internal structure of the grains. A particular emphasis has been put on the simulation of defects related to grain textures and microstructures. The article provides information on the application of the most important simulation approaches and the status of numerical simulation.

This article discusses the three different modeling approaches for grain structures formed during solidification of metallic alloys: direct modeling of dendritic structure, direct modeling of grain structure, and indirect modeling of grain structure. The main construction bases, the scale at which it applies, and the mathematical background are presented for each modeling approach. The article concludes with a table that presents a comparison of the main inputs/outputs, approximations, numerical methods, kinetics laws, and applications for the three approaches to modeling of dendritic grain solidification.

This article provides a brief historical perspective, a classification of metallurgical processes, basic model development efforts, and an overview of the potential future directions for the modeling of metals processing. It describes the classification of material behavior models, which can be grouped broadly into three classes: statistical, phenomenological, and mechanistic models. The article also presents an overview of the potential directions for the modeling of metals processing.

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 reviews the topic of computational thermodynamics and introduces the calculation of solidification paths for casting alloys. It discusses the calculation of thermophysical properties and the fundamentals of the modeling of solidification processes. The article describes several commonly used microstructure simulation methods and presents ductile iron casting as an example to demonstrate the ability of microstructure simulation. The predictions for the major defects of casting, such as porosity, hot tearing, and macrosegregation, are highlighted. Finally, several industry applications are presented.