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Introduction to Computational Materials Science Fundamentals to Applications

ISBN-10: 0521845874
ISBN-13: 9780521845878
Edition: 2013
Authors: Richard LeSar
List price: $64.99 Buy it from $26.96
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Description: Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural  More...

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Book details

List price: $64.99
Copyright year: 2013
Publisher: Cambridge University Press
Publication date: 3/28/2013
Binding: Hardcover
Pages: 427
Size: 7.75" wide x 10.00" long x 1.00" tall
Weight: 2.332

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modeling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Materials modelling and simulation
Some Basics
The random walk model
Simulation of finite systems
Atoms and Molecules
Electronic structure methods
Interatomic potentials
Molecular dynamics
The Monte Carlo method
Molecular and macromolecular systems
Mesoscopic Methods
Kinetic Monte Carlo
Monte Carlo methods at the mesoscale
Cellular automata
Phase-field methods
Mesoscale dynamics
Some Final Words
Materials selection and design
Appendices
Energy units
Introduction to materials
Mathematical background
Classical mechanics
Electrostatics
Quantum mechanics
Statistical thermodynamics and kinetics
Linear elasticity
Introduction to computation

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