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The paper deals with the analytical integration of interaction potentials between specific geometries such as disks, cylinders, rectangles, and rectangular prisms. Interaction potentials are modeled as inverse-power laws with respect to the…

计算物理 · 物理学 2024-12-02 Aleksandar Borković , Michael H. Gferer , Roger A. Sauer

Carbon nanotubes have attracted considerable interest for their unique electronic properties. They are fascinating candidates for fundamental studies of one dimensional materials as well as for future molecular electronics applications. The…

Raman spectroscopy has been the most extensively employed method to study carbon nanotubes at high pressures. This review covers reversible pressure-induced changes of the lattice dynamics and structure of single- and multi-wall carbon…

凝聚态物理 · 物理学 2009-09-29 I. Loa

We propose an experimentally viable setup for the realization of one-dimensional ultracold atom gases in a nanoscale magnetic waveguide formed by single doubly-clamped suspended carbon nanotubes. We show that all common decoherence and atom…

量子物理 · 物理学 2007-05-23 V. Peano , M. Thorwart , A. Kasper , R. Egger

A microscopic approach is developed to account for the magnitudes of the supercurrents observed experimentally in carbon nanotubes placed between superconducting contacts. We build up a model for the nanotube ropes encompassing the electron…

强关联电子 · 物理学 2009-11-10 J. Gonzalez

We derive a novel formulation for the interaction potential between deformable fibers due to short-range fields arising from intermolecular forces. The formulation improves the existing section-section interaction potential law for in-plane…

计算工程、金融与科学 · 计算机科学 2024-04-09 A. Borković , M. H. Gfrerer , R. A. Sauer , B. Marussig , T. Q. Bui

The accurate treatment of long-range energy terms such as van der Waals interactions is crucial for reliable free energy calculations in molecular simulations. Methods like force switching, potential switching, potential shifting, and Ewald…

化学物理 · 物理学 2025-04-21 Lindsey M. Whitmore , Yalda Ramezani , Sumit Sharma , Michael R. Shirts

A theoretical study on the rotational dynamics of H2 molecules trapped in the interstitial channels (ICs) of a carbon nanotube bundle is presented. The potential used in this study is modeled as a sum of atom-atom (C-H) van der Waals…

材料科学 · 物理学 2009-11-07 M. K. Kostov , H. Cheng , R. M. Herman , M. W. Cole , J. C. Lewis

We provide a simple scheme for predicting the electronic structure of van-der-Waals bound systems, based on the mere knowledge of the electronic structure of the subunits. We demonstrate this with the example of nano-peapods, consisting of…

材料科学 · 物理学 2013-01-21 Matus Milko , Peter Puschnig , Claudia Draxl

Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of van…

软凝聚态物质 · 物理学 2018-03-13 Pavel Kornilovitch

The Casimir-Polder and van der Waals interactions between an atom and a flat cavity wall are investigated under the influence of real conditions including the dynamic polarizability of the atom, actual conductivity of the wall material and…

量子物理 · 物理学 2009-03-27 V. M. Mostepanenko , J. F. Babb , A. O. Caride , G. L. Klimchitskaya , S. I. Zanette

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 consider a molecule in the Born-Oppenheimer approximation interacting with a plate of infinite thickness, i.e, a half--space, which is perfectly conducting or dielectric. It is well--known in the physics literature that in this case the…

数学物理 · 物理学 2022-08-17 Ioannis Anapolitanos , Mariam Badalyan , Dirk Hundertmark

Electron-electron interactions and excitons in carbon nanotubes are locally measured by combining Scanning tunneling spectroscopy and optical absorption in bundles of nanotubes. The largest gap deduced from measurements at the top of the…

Ubiquitous Van der Waals interactions between atoms and molecules are important for many molecular and solid structures. These systems are often studied from first principles using the Density Functional Theory (DFT). However, the commonly…

材料科学 · 物理学 2009-11-13 Pier Luigi Silvestrelli

In order to confirm the strong Van der Waals force in the nucleon-nucleon interaction, it is proposed to measure precisely the angular distribution of the cross section of the low energy ($T_{lab}=20 \sim 30MeV.$) proton-proton scattering.…

高能物理 - 唯象学 · 物理学 2007-05-23 Tetsuo Sawada

The control and observation of reactants forming a chemical bond at the single-molecule level is a longstanding challenge in quantum physics and chemistry. Using a single CO molecule adsorbed at the apex of an atomic force microscope tip…

介观与纳米尺度物理 · 物理学 2021-04-07 Nicolas Néel , Jörg Kröger

The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising…

化学物理 · 物理学 2022-02-17 Ornella Vaccarelli , Dmitry V. Fedorov , Martin Stöhr , Alexandre Tkatchenko

The first principles approaches, density functional theory (DFT) and quantum Monte Carlo, have been used to examine the balance between van der Waals (vdW) forces and hydrogen (H) bonding in ambient and high pressure phases of ice. At…

It was thought that the van der Waals force and gravitational force were distinct. Now a model is used to describe the attraction between macroscopic objects according to van der Waals interaction. The force between two objects with thermal…

综合物理 · 物理学 2013-03-18 Lei Zhang