相关论文: Efficient snap-to-contact computations for van der…
Multilayered van der Waals structures often lack periodicity, which difficults their modeling. Building on previous work for bilayers, we develop a tight-binding based, momentum space formalism capable of describing incommensurate…
The behavior of the bulk two-point correlation function $G({\bf r};T|d)$ in $d$-dimensional system with van der Waals type interactions is investigated and its consequences on the finite-size scaling properties of the susceptibility in such…
Atomically thin layered van der Waals heterostructures feature exotic and emergent optoelectronic properties. With growing interest in these novel quantum materials, the microscopic understanding of fundamental interfacial coupling…
We introduce a simple spherical model whose structural properties are similar to the ones generated by models with directional interactions, by employing a binary mixture of large and small hard spheres, with a square-well attraction acting…
Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly-bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly-bound…
Filamentary objects such as nano-wires, nanotubes and DNA are of current interest in physics, nanoscience, chemistry, biology and medicine. They can interact via strong, exceptionally long-ranged many-object van der Waals (vdW, dispersion)…
We demonstrate a method for measuring atom-surface interactions using transmission spectroscopy of thermal vapors confined in a wedged nano-cell. The wedged shape of the cell allows complementary measurements of both the bulk atomic vapor…
Atomically thin two-dimensional (2D) van der Waals semiconductors are promising candidate materials for post-silicon electronics. However, it remains challenging to attain completely uniform monolayer semiconductor wafers free of over-grown…
We consider the van der Waals interaction of an excited atom and a ground state atom across a vacuum-medium interface under the circumstances of the resonant coupling of the excited atom to a surface polariton mode of the system. We…
The interaction of neural networks with physical equations offers a wide range of applications. We provide a method which enables a neural network to transform objects subject to given physical constraints. Therefore an U-Net architecture…
The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and…
Recent atomic force microscopy (AFM) experiments~[ACS Nano {\bf 2014}, 8, 12410-12417] conducted on graphene-coated SiO$_2$ demonstrated that monolayer graphene (G) can effectively screen dispersion van der Waals (vdW) interactions deriving…
The objective of this work is the development of a novel finite element formulation describing the contact interaction of slender beams in complex 3D configurations involving arbitrary beam-to-beam orientations. It is shown in a…
The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…
Current engineering wear models are often based on empirical parameters rather than built upon physical considerations. Here, we look for a physical description of adhesive wear at the microscale, at which the interaction between two…
A surface integral equation solver is proposed for fast and accurate simulation of interconnects embedded in stratified media. A novel technique for efficient computation of the multilayer Green's function is proposed. Using the Taylor…
The wave-front engineering for nonlinear optical interactions was discussed. Using Huygens-Fresnel principle we developed a general theory and technique for domain engineering with conventional quasi-phase-matching structures being the…
Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account for nonlocal correlation effects, including van der Waals…
We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear-electron, electron-electron, and nuclear-nuclear interactions). Our investigation is based on the highly…
Intralayer deformation in van der Waals (vdW) heterostructures is generally assumed to be negligible due to the weak nature of the interactions between the layers, especially when the interfaces are found incoherent. In the present work,…