Energy conservation of atomistic/continuum coupling

Pascal Aubertin (1) , Julien Réthoré (1) , René de Borst

1 LaMCoS - Laboratoire de Mécanique des Contacts et des Structures [Villeurbanne]

The efficient and accurate coupling of two dissimilar domains presents a major challenge, especially when wave propagation is considered. Overlap coupling methods are promising in the sense that spurious wave reflections can be avoided and loss of energy due to the coupling scheme can be minimized. However, the conservation properties and the proper physical representation of the forces depend on the precise formulation of the algorithm for coupling such dissimilar models. This is unlike that of coupling similar domains. We will demonstrate this with the help of numerical studies in continuum‐to‐continuum coupling and continuum‐to‐discrete coupling.

Mots clés: energy conservation; finite elements; molecular dynamics; coupling methods; multiscale methods

Domaines: Génie mécanique [physics.class-ph]

Pascal Aubertin, Julien Réthoré, René de Borst. Energy conservation of atomistic/continuum coupling. International Journal for Numerical Methods in Engineering, 2009, 78 (11), pp.1365-1386. ⟨10.1002/nme.2542⟩. ⟨hal-00402217⟩