From quantum to continuum mechanics in the delamination of atomically-thin layers from substrates

Paul Hauseux, Thanh-Tung Nguyen, Alberto Ambrosetti, Katerine Saleme Ruiz, Stéphane P. A. Bordas () and Alexandre Tkatchenko ()
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Paul Hauseux: University of Luxembourg
Thanh-Tung Nguyen: University of Luxembourg
Alberto Ambrosetti: Università degli Studi di Padova
Katerine Saleme Ruiz: University of Luxembourg
Stéphane P. A. Bordas: University of Luxembourg
Alexandre Tkatchenko: University of Luxembourg

Nature Communications, 2020, vol. 11, issue 1, 1-8

Abstract: Abstract Anomalous proximity effects have been observed in adhesive systems ranging from proteins, bacteria, and gecko feet suspended over semiconductor surfaces to interfaces between graphene and different substrate materials. In the latter case, long-range forces are evidenced by measurements of non-vanishing stress that extends up to micrometer separations between graphene and the substrate. State-of-the-art models to describe adhesive properties are unable to explain these experimental observations, instead underestimating the measured stress distance range by 2–3 orders of magnitude. Here, we develop an analytical and numerical variational approach that combines continuum mechanics and elasticity with quantum many-body treatment of van der Waals dispersion interactions. A full relaxation of the coupled adsorbate/substrate geometry leads us to conclude that wavelike atomic deformation is largely responsible for the observed long-range proximity effect. The correct description of this seemingly general phenomenon for thin deformable membranes requires a direct coupling between quantum and continuum mechanics.

Date: 2020
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DOI: 10.1038/s41467-020-15480-w

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