The construction and application of an atomistic J-integral via Hardy estimates of continuum fields

In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data in order to estimate the J-integral for the analysis of cracks and dislocations. We show that this method has the properties of: consistency between the energy, stress and deformation fields; path independen...

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Bibliographic Details
Published inJournal of the mechanics and physics of solids Vol. 58; no. 9; pp. 1318 - 1337
Main Authors Jones, Reese E., Zimmerman, Jonathan A.
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.09.2010
Subjects
Construction
Continuums
Dislocations
Estimates
Fracture mechanics
Fracture toughness
J integral
Molecular simulation
Stresses
Molecular simulation
J-integral
Fracture mechanics
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Summary:In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data in order to estimate the J-integral for the analysis of cracks and dislocations. We show that this method has the properties of: consistency between the energy, stress and deformation fields; path independence of the contour integrals of the Eshelby stress; and excellent correlation with linear elastic fracture mechanics theory for appropriately constructed simulations. We discuss the appropriate reference configuration and reference energy for this type of analysis. Lastly, we use canonical examples to demonstrate that the proposed method is a direct and rational approach for estimating the configurational forces on atomic defects.
Bibliography:ObjectType-Article-2
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ISSN:0022-5096
DOI:10.1016/j.jmps.2010.06.001