The peridynamic method is used here to analyse the effect of van der Waals forces on the mechanical behaviour and strength and toughness properties of three-dimensional nanofibre networks under imposed stretch deformation. The peridynamic formulation allows for a natural inclusion of long-range forces (such as van der Waals forces) by considering all interactions as ‘long-range’. We use van der...

In this article, we are interested in the simulation of phase transition in compressible flows, with the isothermal Euler system, closed by the van-der-Waals model. We formulate the problem as an hyperbolic system, with a source term located at the interface between liquid and vapour. The numerical scheme is based on [1, 5]. Compared with previous discretizations of the van-der-Waals system, th...

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...

The bonding situation in mercury-alkali diatomics HgA ((2)Sigma(+)) (A = Li, Na, K, Rb) has been investigated employing the relativistic all-electron method Normalized Elimination of the Small Component (NESC), CCSD(T), and augmented VTZ basis sets. Although Hg,A interactions are typical of van der Waals complexes, trends in calculated D(e) values can be explained on the basis of a 3-electron 2...

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...