Trends in computational nanomechanics: transcending time and length scales

Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials onscales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics. This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology. Presents recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved Includes example applications in nanomechanics The only review volume to summarize important research efforts involving multi-scale methods and the solution of mutli-scale problems INDICE: Introduction.- New Theoretical Concepts: Objective Molecular Dynamics.- Properties of Carbon Nanotubes Derived from Symmetry-Adapted Schemes.- Nanocrystalline Nanowires: Structure, Electrons & Phonons.- Advanced Quantum Chemistry Approaches: Density Functional Theory for Nanosystems.- Quantum Monte Carlo.- Methods for Non-Born-Oppenheimer Processes.- Quantum Mechanics for theElectronic Wavefunctions of Large Molecules & Crystals.- Multiscale Methods &Applications: Large Scale Molecular Dynamics Modeling.- Multiscale Hybrid Simulation Methods for Materials.- Quasicontinuum Method.- Orbital-Free Density-Functional Theory.- Accelerated Molecular Dynamics Methods.- Kinetic Monte Carlo.- Transition Path Theory.- Transition State Computations.- Methodologies forGlobal Structural Optimization of 1-and 2-D nanostructures.- Predicting New Materials by Electronic Structure Methods.- Multiscale Simulations of Carbon Nanotubes.- Atomistic-Based Continuum Theories for Carbon Nanotubes.- Ab Initio Pressure Methods.

• ISBN: 978-1-4020-9784-3
• Editorial: Springer
• Encuadernacion: Cartoné
• Páginas: 450
• Fecha Publicación: 01/07/2009
• Nº Volúmenes: 1
• Idioma: Inglés