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 focuses on the general internal state variable method, and its simplification, for single-parameter models, in which the microstructure evolution may be treated as an isokinetic reaction. It explains that isokinetic microstructure models are applied to diffusional transformations in fusion welding, covering particle dissolution, growth, and coarsening of precipitates in the heat-affected zone. The article discusses the versatility of the internal state variable approach in modeling of nonisothermal transformations for various materials and processes. It describes the process models applied to predict the microstructure evolution in Al-Mg-Si alloys during multistage thermal processing involving heat treatment and welding. The article also provides information on the microstructure models exploited in engineering design to optimize the load-bearing capacity of welded aluminum components.

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 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 focuses on the modeling of microstructure evolution during thermomechanical processing in the two-phase field for alpha/beta and beta titanium alloys. It also discusses the mechanisms of spheroidization, the coarsening, particle growth, and phase decomposition in titanium alloys, with their corresponding equations.

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 fundamental concepts of heat treatment simulation, including the physical events and their interactions, the heat treatment simulation software, and the commonly used simulation strategies. It summarizes material data needed for heat treatment simulations and discusses reliable data sources as well as experimental and computational methods for material data acquisition. The article provides information on the process data needed for accurate heat treatment simulation and the methods for their determination. Methods for validating heat treatment simulations are also discussed with an emphasis on the underlying philosophy for the selection and design of validation tests. The article also discusses the applications, capabilities, and limitations of heat treatment simulations via selected industrial case studies for a better understanding of the effect of microstructure, distortion, residual stress, and cracking in gears, shafts, and bearing rings.

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.

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.

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.

This article explores the potential of through-process simulations of the development of microstructure, texture, and resulting properties during the thermomechanical processing of Al-Mn-Mg alloys, starting from the as-cast ingot to final-gage sheet. It provides an introduction of the thermomechanical production of aluminum sheet and, in particular, highlights the main effects governing the evolution of microstructure and texture. The simulation tools used to model the evolution of microchemistry, microstructure, and texture upon deformation and recrystallization of aluminum alloys are described. The article discusses the recrystallization behavior of alloy AA 3104 during the interstand times in between two consecutive hot rolling passes with the help of combined microstructure models.

This article provides an overview of integrated weld modeling and discusses the fundamentals of the underlying physics and methodologies involved in process modeling. It presents approaches for microstructure modeling that help to predict phase fractions as well as grain size in the heat-affected zone and weld metal region as a function of alloy composition and thermal cycles. The article discusses the uses of computational thermodynamic and kinetic tools. It describes the concept of performance modeling, whose goal relates to the prediction of weldability, geometrical distortion, and/or locked-in residual stress as a function of material, restraint, process, and process parameters as well as service temperature. Finally, the article presents a case study, evaluating the use of X-65 steels using the E-WeldPredictor tool.

This article, to develop an understanding of the underlying mechanisms governing deformation at elevated temperatures, discusses the phenomenological effects resulting from temperature-induced thermodynamic and kinetic changes. It describes the deformation behavior of engineering materials using expressions known as constitutive equations that relate the dependence of stress, temperature, and microstructure on deformation. The article reviews the characteristics of creep deformation and mechanisms of creep, such as power-law creep, low temperature creep, power-law breakdown, diffusional creep, twinning during creep deformation, and deformation mechanism maps. It discusses the creep-strengthening mechanisms for most structural engineering components. The article provides a description of the microstructural modeling of creep in engineering alloys.

This article provides a summary of the overall development of the finite element method (FEM) and its contribution to the materials forming industry. It focuses on the overall philosophy and evolution of the FEM for solving bulk forming issues. A number of applications of FEM are presented in the order they would be used in a typical manufacturing process sequence: primary materials processing, hot forging and cold forming, and product assembly. The article discusses four FEM modules: the deformation model, the heat-transfer model, the microstructural model, and the carbon diffusion model. The article also covers material fracture and die stress analysis and reviews optimization of the design of forming processes.

This article reviews the emerging manufacturing technology that is alternatively called additive manufacturing (AM), direct digital manufacturing, free-form fabrication, three-dimensional (3-D) printing, and so on. It provides a broad contextual overview of metallic AM. The article focuses on the mechanical properties of AM-processed Ti-6Al-4V, IN-625, and IN-718. The development of closed-loop, real-time, sensing, and control systems is essential to the qualification and advancement of AM. This involves the development of coupled process-microstructural models, sensor technology, and control methods and algorithms. AM has the potential to revolutionize the global parts manufacturing and logistics landscape. It enables distributed manufacturing and the productions of parts on demand while offering the potential to reduce cost, energy consumption, and carbon footprint. The article explores the materials science, processes, and business considerations associated with achieving these performance gains. It concludes that a paradigm shift is required to fully exploit AM potential.