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.
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© 2008 Springer Science+Business Media, LLC
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(2008). Atomistic Elasticity: Linking Atoms and Continuum. In: Buehler, M.J. (eds) Atomistic Modeling of Materials Failure. Springer, Boston, MA. https://doi.org/10.1007/978-0-387-76426-9_4
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DOI: https://doi.org/10.1007/978-0-387-76426-9_4
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-387-76425-2
Online ISBN: 978-0-387-76426-9
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