Nano Mechanics and Materials : Theory, Multiscale Methods and Applications


Wing Kam. Liu
Bok Engelsk 2006 · Electronic books.
Annen tittel
Utgitt
Hoboken : : Wiley, , 2006.
Omfang
1 online resource (340 p.)
Opplysninger
Description based upon print version of record.. - Nano Mechanics and Materials; Contents; Preface; 1 Introduction; 1.1 Potential of Nanoscale Engineering; 1.2 Motivation for Multiple Scale Modeling; 1.3 Educational Approach; 2 Classical Molecular Dynamics; 2.1 Mechanics of a System of Particles; 2.1.1 Generalized Coordinates; 2.1.2 Mechanical Forces and Potential Energy; 2.1.3 Lagrange Equations of Motion; 2.1.4 Integrals of Motion and Symmetric Fields; 2.1.5 Newtonian Equations; 2.1.6 Examples; 2.2 Molecular Forces; 2.2.1 External Fields; 2.2.2 Pair-Wise Interaction; 2.2.3 Multibody Interaction; 2.2.4 Exercises. - 2.3 Molecular Dynamics Applications3 Lattice Mechanics; 3.1 Elements of Lattice Symmetries; 3.1.1 Bravais Lattices; 3.1.2 Basic Symmetry Principles; 3.1.3 Crystallographic Directions and Planes; 3.2 Equation of Motion of a Regular Lattice; 3.2.1 Unit Cell and the Associate Substructure; 3.2.2 Lattice Lagrangian and Equations of Motion; 3.2.3 Examples; 3.3 Transforms; 3.3.1 Fourier Transform; 3.3.2 Laplace Transform; 3.3.3 Discrete Fourier Transform; 3.4 Standing Waves in Lattices; 3.4.1 Normal Modes and Dispersion Branches; 3.4.2 Examples; 3.5 Green's Function Methods. - 3.5.1 Solution for a Unit Pulse3.5.2 Free Lattice with Initial Perturbations; 3.5.3 Solution for Arbitrary Dynamic Loads; 3.5.4 General Inhomogeneous Solution; 3.5.5 Boundary Value Problems and the Time History Kernel; 3.5.6 Examples; 3.6 Quasi-Static Approximation; 3.6.1 Equilibrium State Equation; 3.6.2 Quasi-Static Green's Function; 3.6.3 Multiscale Boundary Conditions; 4 Methods of Thermodynamics and Statistical Mechanics; 4.1 Basic Results of the Thermodynamic Method; 4.1.1 State Equations; 4.1.2 Energy Conservation Principle; 4.1.3 Entropy and the Second Law of Thermodynamics. - 4.1.4 Nernst's Postulate4.1.5 Thermodynamic Potentials; 4.2 Statistics of Multiparticle Systems in Thermodynamic Equilibrium; 4.2.1 Hamiltonian Formulation; 4.2.2 Statistical Description of Multiparticle Systems; 4.2.3 Microcanonical Ensemble; 4.2.4 Canonical Ensemble; 4.2.5 Maxwell-Boltzmann Distribution; 4.2.6 Thermal Properties of Periodic Lattices; 4.3 Numerical Heat Bath Techniques; 4.3.1 Berendsen Thermostat; 4.3.2 Nosé-Hoover Heat Bath; 4.3.3 Phonon Method for Solid-Solid Interfaces; 5 Introduction to Multiple Scale Modeling; 5.1 MAAD; 5.2 Coarse-Grained Molecular Dynamics. - 5.3 Quasi-Continuum Method5.4 CADD; 5.5 Bridging Domain; 6 Introduction to Bridging Scale; 6.1 Bridging Scale Fundamentals; 6.1.1 Multiscale Equations of Motion; 6.2 Removing Fine Scale Degrees of Freedom in Coarse Scale Region; 6.2.1 Relationship of Lattice Mechanics to Finite Elements; 6.2.2 Linearized MD Equation of Motion; 6.2.3 Elimination of Fine Scale Degrees of Freedom; 6.2.4 Commentary on Reduced Multiscale Formulation; 6.2.5 Elimination of Fine Scale Degrees of Freedom: 3D Generalization; 6.2.6 Numerical Implementation of Impedance Force. - 6.2.7 Numerical Implementation of Coupling Force. - Nanotechnology is a progressive research and development topic with large amounts of venture capital and government funding being invested worldwide. Nano mechanics, in particular, is the study and characterization of the mechanical behaviour of individual atoms, systems and structures in response to various types of forces and loading conditions. This text, written by respected researchers in the field, informs researchers and practitioners about the fundamental concepts in nano mechanics and materials, focusing on their modelling via multiple scale methods and techniques. The book systemat
Emner
Sjanger
Dewey
ISBN
0470018518. - 9780470018514

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