نتایج جستجو برای: van der waals model
تعداد نتایج: 2290763 فیلتر نتایج به سال:
Van der Waals adhesion between graphene and various substrates has an important impact on the physical properties, device applications and nanomanufacturing processes of graphene. Here we report a general, high-throughput and reliable method that can measure adhesion energies between ultraflat graphene and a broad range of materials using atomic force microscopy with a microsphere tip. In our e...
When sheets of layered material like C, WS 2 or BN are restricted to finite sizes, they generally form single-and multi-walled hollow nanoparticles in order to avoid dangling bonds. Using continuum approaches to model elastic deformation and van der Waals interactions of spherical nanoparticles, we predict the variation of mechanical stability, adhesive properties and phase behavior with radius...
In this Letter we present integral cross sections for the F + HD reaction on the well-studied Stark-Werner (SW) potential energy surface. Time-independent quantum reactive scattering calculations were carried out using very small energy intervals, that can resolve sharp van der Waals resonance structures. It has been found that the sharp van der Waals resonance features still survive in the cal...
Experimental and theoretical results are presented on the spectroscopy of transition states and pre-reactive van der Waals wells using negative ion photodetachment. Several benchmark reactions are discussed, including the F + H2, OH + H2, and F + OH reactions, as well as the isomerization of cyclo-octatetraene. Photoelectron spectra of clustered transtion state precursor anions are presented, w...
Understanding thermal transport in nanostructured materials is important for the development of energy conversion applications and the thermal management of microelectronic and optoelectronic devices. Most nanostructures interact through van der Waals interactions, and these interactions typically lead to a reduction in thermal transport. Here, we show that the thermal conductivity of a bundle ...
The title compound, C(24)H(25)Br, packs efficiently in the crystal structure with no solvent-accessible voids and several inter-molecular H⋯H contacts approximating the sum of the van der Waals radii. The mol-ecule is quite crowded, with intra-molecular Br⋯H and C⋯H contacts ca 0.38 and 0.30 Å, respectively, less than the sum of the corresponding van der Waals radii. All cyclo-hexyl rings adopt...
Theories of wetting of liquids on solid surfaces under the condition that van der Waals force is dominant are briefly reviewed. We show theoretically that Zisman’s empirical equation for wetting of liquids on solid surfaces is a linear approximation of the Young–van der Waals equation in the wetting region, and we express the two parameters in Zisman’s empirical equation in terms of the dielect...
This paper explores the mechanism of bending with kinking of a long single-walled carbon nanotube under pure bending with moderate bending angles. The prebuckling response was modeled using the existing continuum mechanics theory accounting for the ovalization of the cross section. The post-buckling behavior was characterized by the development of an elastic kink mechanism, considering the van ...
For a droplet or a bubble of dimensions below 100 nm, long-range surface forces such as long-range van der Waals forces can compete with capillarity, which leads to a size dependence of the contact angle. This is discussed in this work, where we also show that the effect cannot simply be described by a normalized line tension. We calculate interfacial profiles for typical values of van der Waal...
Asymptotics of the dispersion interaction: analytic benchmarks for van der Waals energy functionals.
We show that the usual sum of R-6 contributions from elements separated by distance R can give qualitatively wrong results for the electromagnetically nonretarded van der Waals interaction between nonoverlapping bodies. This occurs for anisotropic nanostructures that have a zero electronic energy gap, such as metallic nanotubes or nanowires, and nanolayered systems including metals and graphene...
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