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research article

A finite temperature bridging domain method for MD-FE coupling and application to a contact problem

Anciaux, Guillaume  
•
Ramisetti, Srinivasa Babu  
•
Molinari, Jean-François  
2012
Computer Methods in Applied Mechanics and Engineering

A direct multiscale method coupling molecular dynamics to finite element simulations is introduced to study the contact area evolution of rough surfaces under normal loading. First, a description of the difficulties due to using the bridging domain method at finite temperatures is discussed. This approach, which works well at low temperatures, is based on a projection, in an overlap region, of the atomic degrees of freedom on the coarser continuum description. It is shown that this leads to the emergence of a strong temperature gradient in the bridging zone. This has motivated the development of a simpler approach suitable for quasi-static contact problems conducted at constant but finite temperatures. This new approach is then applied to the normal loading of rough surfaces, in which the evolution of the real contact area with load is monitored. Surprisingly, the results show little influence of the contact area on temperature. However, the plastic events, in form of atomic reshuffling at the surface and dislocation activity, do clearly depend on temperature. The results show also a strong and temperature-dependent relaxation of the initial rough surfaces. This natural mechanism which alters atomic asperities brings to question the classical atomic description of roughness.

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Type
research article
DOI
10.1016/j.cma.2011.01.012
Web of Science ID

WOS:000300130100019

Author(s)
Anciaux, Guillaume  
Ramisetti, Srinivasa Babu  
Molinari, Jean-François  
Date Issued

2012

Publisher

Elsevier

Published in
Computer Methods in Applied Mechanics and Engineering
Volume

205-208

Start page

204

End page

212

Subjects

Contact

•

Rough

•

Multiscale

•

Molecular dynamics

•

Plasticity

•

Temperature

Note

Special Issue on Advances in Computational Methods in Contact Mechanics — dedicated to the memory of Professor J.A.C. Martins

Editorial or Peer reviewed

NON-REVIEWED

Written at

EPFL

EPFL units
LSMS  
Available on Infoscience
February 13, 2014
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/100585
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