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Fundamentals of Friction and Wear on the Nanoscale pp 289–312Cite as

MD/FE Multiscale Modeling of Contact

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Abstract

Limitations of single scale approaches to study the complex physics involved in friction have motivated the development of multiscale models. We review the state-of-the-art multiscale models that have been developed up to date. These have been successfully applied to a variety of physical problems, but that were limited, in most cases, to zero Kelvin studies. We illustrate some of the technical challenges involved with simulating a frictional sliding problem, which by nature generates a large amount of heat. These challenges can be overcome by a proper usage of spatial filters, which we combine to a direct finite-temperature multiscale approach coupling molecular dynamics with finite elements. The basic building block relies on the proper definition of a scale transfer operator using the least square minimization and spatial filtering. Then, the restitution force from the generalized Langevin equation is modified to perform a two-way thermal coupling between the two models. Numerical examples are shown to illustrate the proposed coupling formulation.

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Acknowledgments

This material is based on the work supported by the Swiss National Foundation under Grant no 200021_122046/1 and the European Research Council Starting Grant no 240332.

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Authors and Affiliations

  1. University of Edinburgh, Sanderson Building, Edinburgh, UK

    Srinivasa Babu Ramisetti

  2. Ecole Polytechnique Fédérale de Lausanne, EPFL ENAC IIC LSMS, GC A2 484 (Bâtiment GC), Station 18, 1015, Lausanne, Switzerland

    Guillaume Anciaux & Jean-Francois Molinari

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  1. Srinivasa Babu Ramisetti
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  2. Guillaume Anciaux
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  3. Jean-Francois Molinari
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Correspondence to Srinivasa Babu Ramisetti .

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Editors and Affiliations

  1. Instituto Madrileño de Estudios Avanzados en Nanociencia, Madrid, Spain

    Enrico Gnecco

  2. University of Basel Department of Physics, Basel, Switzerland

    Ernst Meyer

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Ramisetti, S.B., Anciaux, G., Molinari, JF. (2015). MD/FE Multiscale Modeling of Contact. In: Gnecco, E., Meyer, E. (eds) Fundamentals of Friction and Wear on the Nanoscale. NanoScience and Technology. Springer, Cham. https://doi.org/10.1007/978-3-319-10560-4_14

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