Search Results for phase field method

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 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 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 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 reviews the characterization methods for producing 3-D microstructural data sets. The methods include serial sectioning by mechanical material removal method and focused ion beam tomography method. The article describes how these data sets are used in realistic 3-D simulations of microstructural evolution during materials processing and materials response. It also explains how the 3-D experimental data are actually input and used in the simulations using phase-field modeling and finite-element modeling.

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.

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.

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.

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.

The reflected light microscope is the most commonly used tool to study the microstructure of metals, composites, ceramics, minerals, and polymers. For the study of the microstructure of metals and alloys, light microscopy is employed in the reflected-light mode using either bright-field illumination, dark-field illumination, polarized light illumination, or differential interference contract, generally by the Nomarski technique. This article concentrates on how to reveal microstructure properly to enable the proper identification of the phases and constituents and, if needed, measuring the amount, size, and spacing of constituents, using the light optical microscope. The discussion covers the examination of microstructures using different illumination methods and includes a comparison between light optical images and scanning electron microscopy images of microstructure.

This article focuses on the modeling and simulation of diffusion-controlled processes related to both materials processing such as heat treatments, and materials degradation from a practical perspective by using the one-dimensional (1-D) sharp interface approach. It describes various diffusion simulation models, such as one-phase simulations, moving phase-boundary simulations, and dispersed system simulations. The article presents case studies that illustrate some examples where diffusion simulations have been applied to industrial-based problems, with an emphasis on the approaches used and the lessons learned from performing such simulations.

This article presents an overview of the science and engineering of materials along with suitable definitions, descriptions, and examples for better understanding for corrosionists with limited field knowledge. It begins with a detailed description of various categories of engineering materials and moves into the discussion of physical properties of materials, such as the phases, strength, conductivity, and wear. The article describes the methods used in the fabrication of engineering materials and summarizes the materials and their properties in a tabular form. The article concludes with information on material design, materials applications, and materials failure analysis.

The analysis of composite materials using optical microscopy is a process that can be made easy and efficient with only a few contrast methods and preparation techniques. This article is intended to provide information that will help an investigator select the appropriate microscopy technique for the specific analysis objectives with a given composite material. The article opens with a discussion of macrophotography and microscope alignment, and then goes on to describe various illumination techniques that are useful for specific analysis requirements. These techniques include bright-field illumination, dark-field illumination, polarized-light microscopy, interference and contrast microscopy, and fluorescence microscopy. The article also provides a discussion of sample preparation materials such as dyes, etchants, and stains for the analysis of composite materials using optical microscopy.

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 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.

The term isomorphous refers to metals that are completely miscible in each other in both the liquid and solid states. This article discusses the construction of simple phase diagrams by using the appropriate points obtained from time-temperature cooling curves. It describes the two methods to determine a phase diagram with equilibrated alloys: the static method and the dynamic method. The article illustrates the construction of phase boundaries according to the Gibbs' phase rule and describes the calculation methods that allow the prediction of the phases present, the chemical compositions of the phases present, and the amounts of phases present. Phase diagrams provide useful information for understanding alloy solidification. The article provides two simple models that can describe the limiting cases of solidification behavior.

Quantifying microstructural parameters has received considerable attention and success in developing procedures and using such data to develop structure/property relationships has been achieved. This article reviews many of the simple stereological counting measurements of volume fraction, grain structure (two-phase grain structures, and nonequiaxed grain structures), grain size, and inclusion content. It also reviews simple relationships between number of grains per unit area, number of intersections of a line of known length with particle or grain, and number of interceptions of particles or grains by a line of known length.