COMPUTATIONAL MATERIALS ENGINEERING Evolution potx

[...]... Janssens The book in front of you is an introduction to computational microstructure evolution It is not an introduction to microstructure evolution It does assume you have been sufficiently introduced to materials science and engineering to know what microstructure evolution is about That being said we could end our introduction here and skip straight to the computational chapters However, if you intend to... Microstructure Evolution Now that you have some idea of what microstructures are, we can start talking about microstructure evolution Evolution is actually an unfortunate word choice, as microstructures 1 A real material is always composed of a multitude of elements, leading to the saying that materials science is the physics of dirt” [Cah02]—but that is another story 2 COMPUTATIONAL MATERIALS ENGINEERING. .. into a minimum free-energy 4 COMPUTATIONAL MATERIALS ENGINEERING configuration This means that to produce a specific microstructure, one must understand the kinetic path along which it evolves, and be able to stop its evolution at the right moment in processing time With the help of computational modeling, the scientist is able to dissect the microstructure in space and in its evolution in time, and can,... intend to learn more about the science of polycrystalline materials but want to learn about them through their computational modeling, then this chapter will give you the bare-bones introduction to the secrets of microstructures Just remember that the one law binding any type of computational modeling is equally valid for computational microstructure evolution: garbage-in = garbage-out (1.1) You have been... Crystalline Materials Clarendon Press, Oxford, 1995 J A Sethian Level Set Methods and Fast Marching Methods Cambridge University Press, Cambridge, 1999 S Torquato Random Heterogeneous Materials: Microstructure and Macroscopic Properties SpringerVerlag, Berlin, 2002 S N Atluri and S Shen The Meshless Local Petrov-Galerkin (MLPG) Method Tech Science Press, Forsyth, GA, 2002 6 COMPUTATIONAL MATERIALS ENGINEERING. .. manufacturing process Building such a computational tool always needs three components: 1 Having correct models defining the underlying physics of the different subprocesses that act in the play of microstructure evolution, for example, diffusion equations or laws for grain boundary migration or dislocation motion 2 A computational model, which is capable of simulating the evolution of the microstructure using... 1.1 Microstructures Defined The world of materials around us is amazingly diverse It is so diverse that scientists feel the need to classify materials into different types Like the authors of this book, your typical technologist classifies materials based on their technical properties Fundamental groups are, for example, metals and alloys, ceramics, polymers, and biomaterials More specific classifications... observables of materials on a quantitative basis In the last decades, mathematical and computational methods have been developed to allow extrapolation of known thermodynamic properties of binary and ternary alloys into frequently unexplored higher-order systems of technical relevance The so-called method of computational thermodynamics (CT) is an indispensable tool nowadays in development of new materials, ... Fundamental groups are, for example, metals and alloys, ceramics, polymers, and biomaterials More specific classifications can be, for example, semiconductors, nanomaterials, memory alloys, building materials, or geologic minerals In this book the focus is on materials with polycrystalline microstructures For the sake of simplicity let us consider a pure metal and start with atoms as the basic building blocks... 7.4.1 Model Formulation 7.4.2 Entropy Density Contributions 7.4.3 Evolution Equations 7.4.4 Nondimensionalization 7.4.5 Finite Difference Discretization and Staggered Grid 7.4.6 Optimization of the Computational Algorithm 7.4.7 Parallelization 7.4.8 Adaptive Finite Element Method 7.4.9 Simulations of Phase Transitions and Microstructure Evolution 7.5 Acknowledgments 219 220 222 224 226 226 228 229 229 . alt="" COMPUTATIONAL MATERIALS ENGINEERING An Introduction to Microstructure Evolution This page intentionally left blank COMPUTATIONAL MATERIALS ENGINEERING An Introduction to Microstructure Evolution KOENRAAD. that materials science is the physics of dirt” [Cah02]—but that is another story 2 COMPUTATIONAL MATERIALS ENGINEERING do not evolve in the way living materials do. The use of the word evolution. introduction to computational microstructure evolution. It is not an introduction to microstructure evolution. It does assume you have been sufficiently intro- duced to materials science and engineering