Computational Multiscale Modeling of Fluids and Solids

Computational Multiscale Modeling of Fluids and Solids

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This volume provides an overview of some of the basics of the underlying physical theories, the mathematical concepts, the numerical tools and the methods with which the dynamics of condensed matter is treated on several length and associated time scales, with a focus on particle based methods. These methods form the basis of a research area which is generally termed a€œcomputational multiscale physicsa€ (CMP) or a€œcomputational materials s- encea€ (CMS), meaning the modeling and simulation of condensed matter in the ?uid or solid state with the aid of e?cient algorithms implemented on computers. The presented methods and theories in this book range from the at- istic quantum scale (nanometers), the microscopic scale (from nano- to - crometers) and the intermediate mesoscopic scale (micrometers), to the scale of macroscopic structures (centimeters and meters). The order of chapters roughly follows this classi?cation of scales and each chapter starts with an - troductoryoverviewofsomethephysicalbasicsofcondensedmattermodeling on the respective scale. Presentedtopics include quantum mechanicalabinitio methods in Hilbert space which arefrequently used to predict the electronicand/or atomic str- tures of di?erent materials, described as many particle systems in statistical thermodynamics. These methods are very restricted in the number of treated particles.Semi-empirical techniques such as the tight-binding method and yet moreempiricalmethodssuchasclassicalmoleculardynamicsandMonteCarlo simulationsarediscussedaswell.Applicationsofthesemethodsinequilibrium and non-equilibrium solid state physics (shock wave physics being one part- ularly interesting application) as well as in soft matter physics, e.g. polymers.The question, as to when a model is a€œadequatea€ to a physical problem is not easy to answer. ... For example, modeling impact phenomena between high-energy particles requires relativistic quantum mechanics whereas in a ... the time variable (for dynamic problems) and of the spacial domain in which the constitutive equations of the problem are to be solved. ... to the a€œfirst generationa€ of electronic computers) and computed 1000 times as fast as its electro- mechanical competitors [17].

Title:Computational Multiscale Modeling of Fluids and Solids
Author:Martin Oliver Steinhauser
Publisher:Springer Science & Business Media - 2008


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