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Introduction to Computational Materials Science Fundamentals to Applications (Record no. 2491)

000 -LEADER
fixed length control field 03287nam a22002177a 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20200224112925.0
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fixed length control field 200118b ||||| |||| 00| 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 978-1-316-61487-7
028 ## - PUBLISHER NUMBER
Source Allied Informatics, Jaipur
Bill Number 7084
Bill Date 13/01/2020
Purchase Year 2019-20
040 ## - CATALOGING SOURCE
Original cataloging agency BSDU
Language of cataloging English
Transcribing agency BSDU
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 620.110285
Item number LES
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Lesar,Richard
245 ## - TITLE STATEMENT
Title Introduction to Computational Materials Science Fundamentals to Applications
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Place of publication, distribution, etc. New Delhi
Name of publisher, distributor, etc. Cambridge University Press
Date of publication, distribution, etc. 2018
300 ## - PHYSICAL DESCRIPTION
Extent 414
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc. note 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.

Examines modelling materials across a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research
Presents detailed, accessible explanations of the fundamental equations underpinning materials modelling and includes a full chapter summarising essential mathematical background
Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide students with all the background necessary to fully engage with the fundamentals of computational modelling

DescriptionContentsResourcesCoursesAbout the Authors

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.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Computer
700 ## - ADDED ENTRY--PERSONAL NAME
Personal name (Materials Research Society)
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Koha item type Books
Holdings
Withdrawn status Lost status Source of classification or shelving scheme Damaged status Not for loan Collection code Permanent Location Current Location Date acquired Cost, normal purchase price Full call number Barcode Date last seen Cost, replacement price Price effective from Koha item type
        Not For Loan Reference BSDU Knowledge Resource Center, Jaipur BSDU Knowledge Resource Center, Jaipur 2020-01-18 1325.00 620.110285 LES 018038 2021-01-27 1325.00 2020-01-18 Books

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