Computational Materials Science: The Simulation of Materials, Microstructures and PropertiesModeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers. |
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Page 53
... thermodynamic states , correlation functions , and the dynamics of atoms . This is achieved through the discrete or ... thermodynamic state functions and other equi- librium properties of systems in terms of their atomistic properties ...
... thermodynamic states , correlation functions , and the dynamics of atoms . This is achieved through the discrete or ... thermodynamic state functions and other equi- librium properties of systems in terms of their atomistic properties ...
Page 160
... thermodynamic point of view dislocations in thermodynamic equilibrium with the crystal can be regarded as a canonical ensemble , the energy of which fluctuates in time . Thermal fluctuations , which are also referred to as thermal noise ...
... thermodynamic point of view dislocations in thermodynamic equilibrium with the crystal can be regarded as a canonical ensemble , the energy of which fluctuates in time . Thermal fluctuations , which are also referred to as thermal noise ...
Page 177
... thermodynamic potential functions and the kinetics of the lattice defects involved . While the thermodynamics of phase trans- formation phenomena only prescribes the general direction of microstructure evolution , with the final ...
... thermodynamic potential functions and the kinetics of the lattice defects involved . While the thermodynamics of phase trans- formation phenomena only prescribes the general direction of microstructure evolution , with the final ...
Contents
Material Constants | 1 |
Fundamentals and Solution of Differential Equations | 3 |
Molecular Dynamics | 7 |
Copyright | |
15 other sections not shown
Common terms and phrases
algorithm analytical approach approximate atomistic atoms automaton average boundary conditions calculated cell cellular automata Chapter classical coefficients components computational materials science continuum coordinates crystal plasticity deformation dependent derivatives described deterministic diffusion discrete dislocation dynamics displacement elastic electron ensemble equations of motion equilibrium Euler method Figure finite difference method finite element method formulation free energy gradient grain boundary grain growth Hamiltonian independent variables initial-value integral interaction interface Ising model isotropic Khachaturyan kinetic Kocks Kubin large number lattice defects linear macroscopic matrix mechanics mesoscale mesoscopic Metall Metropolis Monte Carlo microstructure evolution microstructure simulation molecular dynamics Monte Carlo methods nodes nucleation orientation parameters particle phase field phase space phenomenological Phys physical polycrystal polynomial Potts model predictions problem Raabe random numbers recrystallization referred Rönnpagel sampling scale solution solving spatial spin Srolovitz statistical stochastic strain rate stress structure techniques tensor texture theory thermodynamic two-dimensional typically Ui+1 values vector velocity volume