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. |
From inside the book
Results 1-3 of 44
Page 98
... Equations of Motion for Atomic Systems 7.3.1 Fundamentals This section is devoted to the formulation of the classical equations of motion for a system of N atoms or molecules that interact through a well - defined potential model ...
... Equations of Motion for Atomic Systems 7.3.1 Fundamentals This section is devoted to the formulation of the classical equations of motion for a system of N atoms or molecules that interact through a well - defined potential model ...
Page 239
... motion of the boundaries and sometimes that of the vertices also can be described either in terms of a Newtonian equation of motion which contains a frictional portion ( equation ( 9.160 ) ) or in terms of a linearized first - order rate ...
... motion of the boundaries and sometimes that of the vertices also can be described either in terms of a Newtonian equation of motion which contains a frictional portion ( equation ( 9.160 ) ) or in terms of a linearized first - order rate ...
Page 250
... equations of motion are solved for a large number of interacting particles . These calculations require some approximate formulation of the interatomic potential . It is clear that the accuracy of the underlying potential determines the ...
... equations of motion are solved for a large number of interacting particles . These calculations require some approximate formulation of the interatomic potential . It is clear that the accuracy of the underlying potential determines the ...
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