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Single-walled carbon nanotubes show promise as nanoscale transistors, for nanocomputing applications. This use will require appropriate methods for creating electrical connections between distinct nanotubes, analogous to welding of metallic…

Computational Physics · Physics 2014-12-09 Mustafa U. Kucukkal , Steven J. Stuart

Effective pair potentials for hollow nanoparticles like the ones made from carbon (fullerenes) or metal dichalcogenides (inorganic fullerenes) consist of a hard core repulsion and a deep, but short-ranged, van der Waals attraction. We…

Soft Condensed Matter · Physics 2009-10-31 U. S. Schwarz , S. A. Safran

Recently, it has been shown that, under the action of the lateral van der Waals (vdW) force due to a perfectly conducting corrugated plane, a neutral anisotropic polarizable particle in vacuum can be attracted not only to the nearest…

Quantum Physics · Physics 2025-10-14 Alexandre P. Costa , Lucas Queiroz , Danilo T. Alves

We study equations for the mechanical movement of chains of identical particles in the plane interacting with their nearest-neighbors by bond stretching and by van der Waals and Coulomb forces. We find collinear and circular equilibria as…

Dynamical Systems · Mathematics 2016-12-08 Carlos García-Azpeitia , Manuel Tejada-Wriedt

For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…

Materials Science · Physics 2014-07-15 Xiaobin Chen , Fuyang Tian , Clas Persson , Wenhui Duan , Nanxian Chen

We study the dispersion interaction of the van der Waals and Casimir-Polder (vdW-CP) type between a neutral atom and the surface of a metal by allowing for nonlocal electrodynamics, i.e. electron diffusion. We consider two models: (i) bulk…

Atomic Physics · Physics 2014-07-23 Elad Eizner , Baruch Horovitz , Carsten Henkel

A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…

Materials Science · Physics 2009-04-20 Huy-Viet Nguyen , Stefano de Gironcoli

Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered…

Materials Science · Physics 2024-08-27 Dai-Nam Le , Pablo Rodriguez-Lopez , Lilia M. Woods

We calculated the image potentials of single-walled carbon nanotubes of various structures in the condition of field emission with a quantum chemistry method. The image potential of the single-walled carbon nanotubes can be well fitted with…

Materials Science · Physics 2008-08-10 Weiliang Wang , Jie Peng , Guihua Chen , Shaozhi Deng , Ningsheng Xu , Zhibing Li

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…

Chemical Physics · Physics 2022-02-17 Ornella Vaccarelli , Dmitry V. Fedorov , Martin Stöhr , Alexandre Tkatchenko

We present a theory for the van Hove singularity (VHS) in the tunneling density of states (TDOS) of disordered multichannel quantum wires, in particular multi-wall carbon nanotubes. We assume close-by gates which screen off…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. Huegle , R. Egger

Van der Waals (vdW) materials are becoming increasingly popular in scientific and industrial applications because of their unique mixture of record electronic, optical, and mechanical properties. However, nanostructuring of vdW materials is…

Recent experiments about the low temperature behaviour of a Single Wall Carbon Nanotube (SWCNT) showed typical Coulomb Blockade (CB) peaks in the zero bias conductance and allowed us to investigate the energy levels of interacting…

Strongly Correlated Electrons · Physics 2009-11-11 S. Bellucci , P. Onorato

Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…

The study of van der Waals (vdW) materials has seen increased interest in recent years, due to the wide range of uses for these materials because of their unique mechanical, electronic, and optical properties. This area has recently…

Mesoscale and Nanoscale Physics · Physics 2023-11-02 Sivakumar Vishnuvardhan Mambakkam , Stephanie Law

We develop a quantum theory of near-field electrodynamical properties of carbon nanotubes and investigate spontaneous decay dynamics of excited states and van der Waals attraction of the ground state of an atomic system close to a…

Mesoscale and Nanoscale Physics · Physics 2017-08-14 Igor V. Bondarev , Philippe Lambin

A simple formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and the potential of neon (Ne) inside an infinitely long SWNT is analytically derived under the assumption of pair-wise…

Mesoscale and Nanoscale Physics · Physics 2007-06-11 Z. C. Tu , Z. C. Ou-Yang

Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional theory. How does the binding energy depend upon the size or…

Chemical Physics · Physics 2018-03-14 Jianmin Tao , John P. Perdew , Hong Tang , Chandra Shahi

Centimeter scale aligned carbon nanotube arrays are grown from nanoparticle metal catalyst pads. We find the nanotubes grow both with and against the wind. A metal underlayer provides in-situ electrical contact to these long nanotubes with…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Shengdong Li , Zhen Yu , Christopher Rutherglen , Peter J. Burke

We study the static and dynamic interaction between a horizontal cylindrical nano-probe and a thin liquid film. The effects of the physical and geometrical parameters, with a special focus on the film thickness, the probe speed, and the…

Mesoscale and Nanoscale Physics · Physics 2017-06-05 René Ledesma-Alonso , Elie Raphaël , Thomas Salez , Philippe Tordjeman , Dominique Legendre
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