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[...]... 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 do not evolve in the way living materials do The use of the word evolution probably originated from an attempt to find generalized wording for the different transformation... 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. .. 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... 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... structure that is kinetically prevented to evolve 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... However, if you 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)... 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... topic that has been studied since the beginning of materials science Plasticity can be modeled at the continuum scale, and recently the field of multiscale modeling is slowly but certainly closing the gap between the microstructure and the continuum scales of computational modeling In this book we only touch on plasticity with the description of two computational approaches Closer to the atomistic scale... properties, and in specific cases modeling may be used directly to design new microstructures In spite of the fact that the latter is frequently used as an argument in favor of computational materials science, the true strength of the computational approach is still its use as a tool for better understanding Technologically relevant microstructures are four-dimensional (in space and time) creatures that . class="bi x0 y0 w0 h0" alt="" COMPUTATIONAL MATERIALS ENGINEERING An Introduction to Microstructure Evolution This page intentionally left blank COMPUTATIONAL MATERIALS ENGINEERING An Introduction. leading to the saying 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. 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

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