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From quantum to continuum mechanics in the delamination of atomically-thin layers from substrates.
Nature Communications ( IF 16.6 ) Pub Date : 2020-04-03 , DOI: 10.1038/s41467-020-15480-w
Paul Hauseux 1 , Thanh-Tung Nguyen 1 , Alberto Ambrosetti 2 , Katerine Saleme Ruiz 3 , Stéphane P A Bordas 1, 4 , Alexandre Tkatchenko 3
Affiliation  

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.



中文翻译:

从量子到连续体力学,从基板剥离原子薄层。

在胶粘剂系统中观察到异常的邻近效应,其范围从悬浮在半导体表面的蛋白质,细菌和壁虎脚到石墨烯与不同基材之间的界面。在后一种情况下,可以通过测量直至石墨烯与基材之间的微米级距离的无消失应力来证明远距离作用力。描述粘合性能的最新模型无法解释这些实验观察结果,而是低估了2-3个数量级的应力距离范围。在这里,我们开发了一种分析和数值变分方法,将连续力学和弹性与范德华分散相互作用的量子多体处理相结合。吸附物/基质耦合的几何形状的完全松弛使我们得出结论,波状原子变形在很大程度上是所观察到的远距离邻近效应的原因。对于薄的可变形膜这种看似普遍的现象的正确描述要求在量子力学和连续力学之间进行直接耦合。

更新日期:2020-04-24
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