Bibliografische Daten
ISBN/EAN: 9783642094408
Sprache: Englisch
Umfang: xviii, 428 S., 141 s/w Illustr., 428 p. 141 illus.
Auflage: 1. Auflage 2008
Einband: kartoniertes Buch
Beschreibung
InhaltsangabePart 1 Fundamentals: Introduction.- Multiscale Computational Materials Science.- Mathematical and Physical Prerequisites.- Fundamentals of Numerical Simulation.- Part II Computational Methods on Multiscales: Computational Methods on Electronic/Atomistic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Computational Methods on Atomistic/Microscopic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Perspectives in Multiscale Materials Modeling.- Further Reading.- Mathematical Definitions.- Sample Code for the Main Routine of a MD Simulation.- A Sample Makefile.- Tables of Physical Constants.- Selected Solutions.
Inhalt
Part 1 Fundamentals: Introduction.- Multiscale Computational Materials Science.- Mathematical and Physical Prerequisites.- Fundamentals of Numerical Simulation.- Part II Computational Methods on Multiscales: Computational Methods on Electronic/Atomistic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Computational Methods on Atomistic/Microscopic Scale.- Computational Methods on Microscopic/Mesoscopic Scale.- Perspectives in Multiscale Materials Modeling.- Further Reading.- Mathematical Definitions.- Sample Code for the Main Routine of a MD Simulation.- A Sample Makefile.- Tables of Physical Constants.- Selected Solutions.
