Atomic Scale Modeling Of Nanosystems And Nanostructured Materials
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Atomic-Scale Modeling of Nanosystems and Nanostructured Materials
Author: Carlo Massobrio
language: en
Publisher: Springer Science & Business Media
Release Date: 2010-02-05
The book covers a variety of applications of modern atomic-scale modeling of materials in the area of nanoscience and nanostructured systems. By highlighting the most recent achievements obtained within a single institute, at the forefront of material science studies, the authors are able to provide a thorough description of properties at the nanoscale. The areas covered are structural determination, electronic excitation behaviors, clusters on surface morphology, spintronics and disordered materials. For each application, the basics of methodology are provided, allowing for a sound presentation of approaches such as density functional theory (of ground and excited states), electronic transport and molecular dynamics in its classical and first-principles forms. The book is a timely collection of theoretical nanoscience contributions fully in line with current experimental advances.
Atomic-Scale Modeling of Nanosystems and Nanostructured Materials
Understanding the structural organization of materials at the atomic scale is a lo- standing challenge of condensed matter physics and chemistry. By reducing the size of synthesized systems down to the nanometer, or by constructing them as collection of nanoscale size constitutive units, researchers are faced with the task of going beyond models and interpretations based on bulk behavior. Among the wealth of new materials having in common a “nanoscale” ngerprint, one can encounter systems intrinsically extending to a few nanometers (clusters of various compo- tions), systems featuring at least one spatial dimension not repeated periodically in space and assemblies of nanoscale grains forming extended compounds. For all these cases, there is a compelling need of an atomic-scale information combining knowledge of the topology of the system and of its bonding behavior, based on the electronic structure and its interplay with the atomic con gurations. Recent dev- opments in computer architectures and progresses in available computational power have made possible the practical realization of a paradygma that appeared totally unrealistic at the outset of computer simulations in materials science. This consists inbeing able to parallel (at least inprinciple) any experimental effort by asimulation counterpart, this occurring at the scale most appropriate to complement and enrich the experiment.
Continuum Mechanics Modeling of Material Behavior
Continuum Mechanics Modeling of Material Behavior offers a uniquely comprehensive introduction to topics like RVE theory, fabric tensor models, micropolar elasticity, elasticity with voids, nonlocal higher gradient elasticity and damage mechanics. Contemporary continuum mechanics research has been moving into areas of complex material microstructural behavior. Graduate students who are expected to do this type of research need a fundamental background beyond classical continuum theories. The book begins with several chapters that carefully and rigorously present mathematical preliminaries: kinematics of motion and deformation; force and stress measures; and general principles of mass, momentum and energy balance. The book then moves beyond other books by dedicating several chapters to constitutive equation development, exploring a wide collection of constitutive relations and developing the corresponding material model formulations. Such material behavior models include classical linear theories of elasticity, fluid mechanics, viscoelasticity and plasticity. Linear multiple field problems of thermoelasticity, poroelasticity and electoelasticity are also presented. Discussion of nonlinear theories of solids and fluids, including finite elasticity, nonlinear/non-Newtonian viscous fluids, and nonlinear viscoelastic materials are also given. Finally, several relatively new continuum theories based on incorporation of material microstructure are presented including: fabric tensor theories, micropolar elasticity, elasticity with voids, nonlocal higher gradient elasticity and damage mechanics. - Offers a thorough, concise and organized presentation of continuum mechanics formulation - Covers numerous applications in areas of contemporary continuum mechanics modeling, including micromechanical and multi-scale problems - Integration and use of MATLAB software gives students more tools to solve, evaluate and plot problems under study - Features extensive use of exercises, providing more material for student engagement and instructor presentation