Atomistic Elasticity: Linking Atoms and Continuum

This chapter is dedicated to provide a link between the atomistic models and continuum theoretical concepts of stress and strain. We review the basic thermodynamical concepts that enable a rigorous link between atomistic systems and corresponding continuum theoretical concepts. The discussion includes a review of entropic and energetic contributions to elasticity, free energy models, entropic effects in rubber-like materials as well as the Cauchy-Born rule. We discuss elastic properties of a variety of crystal structures for different interatomic potentials.


Elastic Property Wave Speed Triangular Lattice Interatomic Potential Free Energy Density 
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© Springer Science+Business Media, LLC 2008

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