Computational 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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Technology: Engineering. General
Computational Materials Engineering
An Introduction to Microstructure Evolution
K. G. F. Janssens
Paul Scherrer Institute, Villigen, Switzerland
KEY FEATURES
·Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material
·Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling
Computational Materials Engineering is a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. This is the first advanced text/reference to cover the essential theoretical aspects of materials modeling, with a particular emphasis on polycrystalline materials―including the physical, thermal and chemical parameters―and the mathematical tools used to perform simulations, as well as specific applications to modeling real materials. Readers will first 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. Then, they will learn to use various modeling systems such as Finite Element Analysis and Finite Difference Analysis to generate mathematical representations of material processes. Finally, the book will offer its readers a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use.
Contents:
1 Introduction; 2 Basic Thermodynamics 21; 3 Monte Carlo Potts Model; 4 Cellular Automata; 5 Solid-state diffusion; 6 Modeling precipitation; 7 Phase-field Modeling; 8 Discrete Dislocations; 9 FEM
Related titles:
Ashby: Materials: Engineering, Science, Processing and Design, 2007, ISBN: 978-0-75068391-3
Ashby: Materials Selection in Mechanical Design, 3rd Edition, 2005, ISBN: 978-0-7506-6168-3
Ohring: Materials Science of Thin Films, 2nd edition, Academic Press,2001, ISBN: 978- 0-12-524975-1
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