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Introduction to Computational Materials Science Richard LeSar (Los Alamos National Laboratory)

Introduction to Computational Materials Science By Richard LeSar (Los Alamos National Laboratory)

Introduction to Computational Materials Science by Richard LeSar (Los Alamos National Laboratory)

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Summary

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. Topics covered range from electronic structure methods to microstructural evolution, appendices provide crucial background material, and exercises, worked examples and computer codes are provided online to complete the teaching package.

Introduction to Computational Materials Science Summary

Introduction to Computational Materials Science: Fundamentals to Applications by Richard LeSar (Los Alamos National Laboratory)

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. 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. Modelling 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.

Introduction to Computational Materials Science Reviews

Finally, an introductory textbook on computational methods that addresses the breadth of materials science. Finally, an introductory textbook that emphasizes understanding the foundations of the subject. Kudos to Prof. Richard LeSar for producing such a beautifully pedagogical introductory text that covers the major methods of the field, relates them to their underlying science, and provides links to accessible simulation codes. Introduction to Computational Materials Science is the perfect companion to a first-course on this rapidly growing segment of our field. - David J Srolovitz, University of Pennsylvania
Prof. LeSar has written an elegant book on the methods that have been found to be useful for simulating materials. Unlike most texts, he has made the effort to give clear, straightforward explanations so that readers can implement the models for themselves. He has also covered a wider range of techniques and length-/time-scales than typical textbooks that ignore anything coarser than the atom. This text will be useful for a wide range of materials scientists and engineers. - Anthony Rollett, Carnegie Mellon University
Richard LeSar has successfully summarized the computational techniques that are most commonly used in Materials Science, with many examples that bring this field to life. I have been using drafts of this book in my Computational Materials course, with very positive student response. I am delighted to see the book in print-it will become a classic! - Chris G. Van de Walle, University of California, Santa Barbara

About Richard LeSar (Los Alamos National Laboratory)

Richard LeSar is the Lynn Gleason Professor of Interdisciplinary Engineering in the Department of Materials Science and Engineering, Iowa State University, and the former Chair of the Materials Science and Engineering programme. He is highly experienced in teaching the modelling and simulation of materials at both undergraduate and graduate levels, and has made extensive use of these methods throughout his own research.

Table of Contents

Part I. Some Basics: 1. Materials modelling and simulation; 2. The random walk model; 3. Simulation of finite systems; Part II. Atoms and Molecules: 4. Electronic structure methods; 5. Interatomic potentials; 6. Molecular dynamics; 7. The Monte Carlo method; 8. Molecular and macromolecular systems; Part III. Mesoscopic Methods: 9. Kinetic Monte Carlo; 10. Monte Carlo methods at the mesoscale; 11. Cellular automata; 12. Phase-field methods; 13. Mesoscale dynamics; Part IV. Some Final Words: 14. Materials selection and design; Part V. Appendices: A. Energy units; B. Introduction to materials; C. Mathematical background; D. Classical mechanics; E. Electrostatics; F. Quantum mechanics; G. Statistical thermodynamics and kinetics; H. Linear elasticity; I. Introduction to computation.

Additional information

NPB9780521845878
9780521845878
0521845874
Introduction to Computational Materials Science: Fundamentals to Applications by Richard LeSar (Los Alamos National Laboratory)
Richard LeSar (Los Alamos National Laboratory)
New
Hardback
Cambridge University Press
2013-03-28
427
N/A
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
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