Computational Multiscale Modeling of Fluids and Solids: Theory and Applications

Front Cover
Springer, Nov 29, 2016 - Science - 405 pages
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale.
The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas.
The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and atmosphere dynamics. Numerous applications in environmental physics and geophysics had been added.
 

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Contents

List of Boxes
1
Part I Fundamentals
2
1 Introduction
3
2 Multiscale Computational Materials Science
29
3 Mathematical and Physical Prerequisites
109
4 Fundamentals of Numerical Simulation
175
Part II Computational Methods on Multiscales
213
5 Computational Methods on ElectronicAtomistic Scale
215
8 Perspectives in Multiscale Materials Modeling
361
A Further Reading
365
B Mathematical Definitions
367
C Sample Code for the Main Routine of a MD Simulation
369
D A Sample Makefile
371
E Tables of Physical Constants
374
References
383
Index
402

6 Computational Methods on AtomisticMicroscopic Scale
257
7 Computational Methods on MesoscopicMacroscopic Scale
313

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About the author (2016)

Prof. Dr. Martin Oliver Steinhauser
Fraunhofer Ernst-Mach-Institute for High-Speed Dynamics (EMI),
Eckerstrasse 4
79104 Freiburg
Germany

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