Steinhauser M.O. Computational Multiscale Modeling of Fluids and Solids: Theory and Applications

2nd Edition. — Springer-Verlag, Berlin, Heidelberg, 2017. — 419 p. — ISBN: 3662532220The 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.FundamentalsMultiscale Computational Materials Science
Mathematical and Physical Prerequisites
Fundamentals of Numerical Simulation
Computational Methods on Multiscales
Computational Methods on Electronic/Atomistic Scale
Computational Methods on Atomistic/Microscopic Scale
Computational Methods on Mesoscopic/Macroscopic Scale
Perspectives in Multiscale Materials Modeling
Appendixes
Further Reading
Mathematical Definitions
Sample Code for the Main Routine of a MD Simulation
A Sample Makefile Appendix E: Tables of Physical Constants