Computational Multiscale Modeling of Fluids and Solids: Theory and Applications

Coperta unu
Springer Science & Business Media, 2008 - 427 pagini

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 physical basic 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. The chapters follow this classification. The book will explain 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 occasionally 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. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.

 

Pagini selectate

Cuprins

Part I Fundamentals
2
Introduction
3
Multiscale Computational Materials Science
27
Mathematical and Physical Prerequisites
108
Fundamentals of Numerical Simulation
179
Part II Computational Methods on Multiscales
218
Summary of Part I
221
Computational Methods on ElectronicAtomistic Scale
224
Further Reading
381
Mathematical Definitions
383
Sample Code for the Main Routine of a MD Simulation
385
A Sample Makefile
387
Tables of Physical Constants
389
List of Algorithms
391
List of Boxes
392
Solutions
395

Computational Methods on AtomisticMicroscopic Scale
269
Computational Methods on MesoscopicMacroscopic Scale
328
Perspectives in Multiscale Materials Modeling
377
References
401
Index
423

Alte ediții - Afișează-le pe toate

Termeni și expresii frecvente

Informații bibliografice