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OverviewTrends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales 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. Full Product DetailsAuthor: Traian DumitricaPublisher: Springer Imprint: Springer Edition: 2010 ed. Volume: 9 Dimensions: Width: 15.50cm , Height: 3.30cm , Length: 23.50cm Weight: 0.967kg ISBN: 9789400731097ISBN 10: 9400731094 Pages: 620 Publication Date: 01 March 2012 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of Contents1. Introduction: Computational Nanomechanics.- 2. New Theoretical Concepts: Objective Molecular Dynamics.- Properties of Carbon Nanotubes Derived from Symmetry-Adapted Schemes.- Nanocrystalline Nanowires: Structure, Electrons, and Phonons.- 3. Advanced Quantum Chemistry Approaches: Density Functional Theory for Nanosystems.- Quantum Monte Carlo.- Methods for Non-Born-Oppenheimer Processes 1.- Methods for Non-Born-Oppenheimer Processes 2.- Quantum Mechanics for the Electronic Wavefunctions of Large Molecules and Crystals.- 4. Multiscale Methods and Applications: Large Scale Molecular Dynamics Modeling.- Multiscale Hybrid Simulation Methods for Materials.- Overview of Quasicontinuum Method.- Orbital-Free Density-Functional Theory.- Accelerated Molecular Dynamics Methods.- Kinetic Monte Carlo.- Transition Path Theory.- Advances in Transition State Computations.- Development of Methodologies for Global 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.ReviewsAuthor InformationDr. Traian Dumitrica received a doctorate in physics from Texas A&M University in 2000. Since then he has worked at Rice University, Freie Universitaet Berlin, and Universitaet Kassel. He joined the University of Minnesota faculty in 2005. His research focuses in understanding the mechanical properties of materials using atomistic computational methods. System of interest include carbon nanotubes, silicon nanoparticles, and coherent phonons in semiconductors. Tab Content 6Author Website:Countries AvailableAll regions |
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