Computer-based modeling of novel carbon systems and their properties: beyond nanotubes

The multiplicity of possible carbon structures has posed in the last two decades a formidable challenge to theoretical and computational physicists, since not only a number of different methods (such as simulations based on empiricalpotentials, tight-binding calculations or DFT) are currently being used to study the structure and the properties of such systems, but also because it is evident that a combination of these methods is needed to make new progress in the carbon field. This volume provides the reader with a survey of state-of-the-art theoretical/computational research on novel carbon systems, other than nanotubes. The contributions are authored by leading researchers working with different aspects of carbon and together demonstrate a variety of methods. It isthe editors' intention to present in this work the latest results on carbon materials, to discuss how different methods can be combined, and to address hownew carbon structures are predicted. Presents a unique survey of the theoretical modeling of all phases of carbon Explores the computational challenges posed by the complex bonding in carbon Reports the recent and controversial theories e.g. the occurrence of magnetism Provides a basis towards a unified theoretical description of carbon Valuable for the whole community of computational condensed matter physicists INDICE: Hexagon Preserving Carbon Nanofoams.- Exotic Carbon Phases: Structure and Properties.- Mechanical and Superconducing Properties of Clathrates.- Simulations of the Structure and Chemical Properties of Nanoporous Carbon.- Structure, Stability and Electronic Properties of Nanodiamonds.- Liquid Carbon: Freezing Line and Structure Near Freezing.- Amorphous Carbon and Related Materials.

• ISBN: 978-1-4020-9717-1
• Editorial: Springer
• Encuadernacion: Cartoné
• Páginas: 250
• Fecha Publicación: 31/07/2010
• Nº Volúmenes: 1
• Idioma: Inglés