Introduction To Computational Materials Science
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Introduction To Computational Materials Science
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Author : Richard LeSar
language : en
Publisher: Cambridge University Press
Release Date : 2013-03-28
Introduction To Computational Materials Science written by Richard LeSar and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-28 with Science categories.
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.
Computational Materials Science
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Author : June Gunn Lee
language : en
Publisher: CRC Press
Release Date : 2011-09-27
Computational Materials Science written by June Gunn Lee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-27 with Science categories.
Computational Materials Science: An Introduction covers the essentials of computational science and explains how computational tools and techniques work to help solve materials science problems. The book focuses on two levels of a materials system: the electronic structure level of nuclei and electrons and the atomistic/molecular level. It presents
Computational Materials Science
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Author : June Gunn Lee
language : en
Publisher: CRC Press
Release Date : 2016-11-25
Computational Materials Science written by June Gunn Lee and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-25 with Science categories.
This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
Introduction To Computational Materials Science Electronic Resource
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Author : R. LeSar
language : en
Publisher:
Release Date : 2013
Introduction To Computational Materials Science Electronic Resource written by R. LeSar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Introduction To Computational Materials Science
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Author : Richard LeSar
language : en
Publisher:
Release Date : 2013
Introduction To Computational Materials Science written by Richard LeSar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Materials science categories.
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.
Theoretical And Computational Materials Science Advances And Applications
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Author : Amodini Mishra
language : en
Publisher: Springer
Release Date : 2025-12-02
Theoretical And Computational Materials Science Advances And Applications written by Amodini Mishra and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-12-02 with Technology & Engineering categories.
This volume provides a comprehensive introduction to computational materials science, focusing on both fundamental theory and practical applications. The book serves as an essential resource for the researchers working at the intersection of materials science and practical computational techniques. The authors present an in-depth examination of the theoretical principles that govern the behaviour and properties of materials in the context of computational analysis, providing a strong connection to the research areas of quantum mechanics, statistical mechanics, and thermodynamics. The book serves as a platform for the materials community interested in the transition to computational methodologies, detailing state-of-the-art simulation and modelling techniques like density functional theory, molecular dynamics, and finite element analysis.
Computational Materials Science
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Author : Kaoru Ohno
language : en
Publisher: Springer Science & Business Media
Release Date : 1999-08-18
Computational Materials Science written by Kaoru Ohno and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-08-18 with Science categories.
Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Computational Materials Engineering
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Author : Koenraad George Frans Janssens
language : en
Publisher: Academic Press
Release Date : 2010-07-26
Computational Materials Engineering written by Koenraad George Frans Janssens and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-26 with Technology & Engineering categories.
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. - 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 Science
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Author : Dierk Raabe
language : en
Publisher: Wiley-VCH
Release Date : 1998-10-27
Computational Materials Science written by Dierk Raabe and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-10-27 with Computers categories.
Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.
Computational And Theoretical Techniques For Materials Science
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Author :
language : en
Publisher: National Academies
Release Date : 1995
Computational And Theoretical Techniques For Materials Science written by and has been published by National Academies this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Engineering categories.