Computational Materials Engineering: An Introduction to Microstructure EvolutionComputational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use.
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Contents
| 1 | |
| 7 | |
Chapter 3 Monte Carlo Potts Model | 47 |
Chapter 4 Cellular Automata | 109 |
Chapter 5 Modeling SolidState Diffusion | 151 |
Chapter 6 Modeling Precipitation as a SharpInterface Phase Transformation | 179 |
Other editions - View all
Computational Materials Engineering: An Introduction to Microstructure Evolution Koenraad G. F. Janssens No preview available - 2007 |
Common terms and phrases
algorithm alloy anisotropic approximation atoms automaton BCC_A2 boundary conditions boundary energy Burgers vector calculated cell cellular automata chemical potential cluster component composition computational concentration configuration considered constant crystal curvature defined deformation dendritic derivatives described differential equations dimensions discrete dislocation line displacement driving force elastic equilibrium eutectic expressed Fick's field finite difference finite element finite element method flux free energy function Gibbs energy grain boundary grain growth grid heat initial interface interfacial energy Ising model isotropic kinetics linear macroscopic matrix mechanism method microstructure microstructure evolution misorientation mobility mole fraction motion multicomponent neighborhood neighbors nucleation nucleation rate parameters particles phase transformation phase-field equation phase-field model Potts model Potts model simulation precipitate problem quantities radius random recrystallization Section shown in Figure solid phase solidification solution spatial spin square lattice step strain stress sublattice surface temperature thermodynamic tion triple junction undercooled variables vector velocity volume zero