MD/FE Multiscale Modeling of Contact

Srinivasa Ramisetti

Research output: Chapter in Book/Report/Conference proceedingChapter


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.
Original languageEnglish
Title of host publicationFundamentals of Friction and Wear on the Nanoscale
Subtitle of host publicationNanoScience and Technology
EditorsEnrico Gnecco, Ernst Meyer
PublisherSpringer International Publishing
ISBN (Electronic)978-3-319-10560-4
ISBN (Print)978-3-319-10559-8
Publication statusPublished - 2015

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